USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 46 HIS HD1 : A 46 HIS ND1 : A 121 CU1CU :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 121 CU1CU :(H bumps) USER MOD Set 1.1: A 1 GLY N :NH3+ -122:sc= -0.0333 (180deg=-0.409) USER MOD Set 1.2: A 2 SER OG : rot 128:sc= 1.32 USER MOD Single : A 4 THR OG1 : rot 42:sc= 0.717 USER MOD Single : A 11 SER OG : rot 44:sc= 0.73 USER MOD Single : A 15 ASN : amide:sc= -0.0101 K(o=-0.01,f=-3.7!) USER MOD Single : A 19 TYR OH : rot -47:sc= 0.0489 USER MOD Single : A 21 THR OG1 : rot 146:sc= 1.19 USER MOD Single : A 24 ASN : amide:sc= 0.366 K(o=0.37,f=-6.6!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.429 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 135:sc= 0.306 (180deg=-0.535!) USER MOD Single : A 57 LYS NZ :NH3+ 146:sc= -0.146! (180deg=-0.827!) USER MOD Single : A 59 MET CE :methyl -166:sc= 0 (180deg=-0.149) USER MOD Single : A 61 MET CE :methyl -171:sc=-0.00402 (180deg=-0.117) USER MOD Single : A 72 LYS NZ :NH3+ -149:sc= 1.27 (180deg=-0.139) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= -0.0792 (180deg=-0.0792) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -128:sc= 0.463 (180deg=-1.82!) USER MOD Single : A 94 LYS NZ :NH3+ 172:sc= 0.743 (180deg=0.473) USER MOD Single : A 109 LYS NZ :NH3+ -176:sc= 1.45 (180deg=1.44) USER MOD Single : A 112 LYS NZ :NH3+ -112:sc= -0.291 (180deg=-1.29!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.066 -4.647 11.182 1.00 11.09 N ATOM 2 CA GLY A 1 14.686 -6.025 11.535 1.00 11.18 C ATOM 3 C GLY A 1 13.649 -5.939 12.622 1.00 10.16 C ATOM 4 O GLY A 1 14.013 -5.974 13.788 1.00 10.26 O ATOM 0 H1 GLY A 1 14.888 -4.486 10.170 1.00 11.09 H new ATOM 0 H2 GLY A 1 14.503 -3.977 11.743 1.00 11.09 H new ATOM 0 H3 GLY A 1 16.076 -4.503 11.383 1.00 11.09 H new ATOM 0 HA2 GLY A 1 14.289 -6.549 10.666 1.00 11.18 H new ATOM 0 HA3 GLY A 1 15.555 -6.588 11.876 1.00 11.18 H new ATOM 10 N SER A 2 12.400 -5.686 12.250 1.00 9.41 N ATOM 11 CA SER A 2 11.463 -4.973 13.132 1.00 8.29 C ATOM 12 C SER A 2 10.024 -5.505 13.059 1.00 7.21 C ATOM 13 O SER A 2 9.704 -6.373 12.252 1.00 7.66 O ATOM 14 CB SER A 2 11.440 -3.482 12.741 1.00 8.34 C ATOM 15 OG SER A 2 12.731 -2.945 12.493 1.00 9.46 O ATOM 0 H SER A 2 12.007 -5.959 11.349 1.00 9.41 H new ATOM 0 HA SER A 2 11.819 -5.127 14.151 1.00 8.29 H new ATOM 0 HB2 SER A 2 10.825 -3.357 11.850 1.00 8.34 H new ATOM 0 HB3 SER A 2 10.964 -2.912 13.539 1.00 8.34 H new ATOM 0 HG SER A 2 12.740 -2.506 11.617 1.00 9.46 H new ATOM 21 N PHE A 3 9.132 -4.910 13.858 1.00 6.22 N ATOM 22 CA PHE A 3 7.691 -4.972 13.618 1.00 5.34 C ATOM 23 C PHE A 3 7.323 -4.278 12.292 1.00 4.60 C ATOM 24 O PHE A 3 8.074 -3.430 11.796 1.00 5.16 O ATOM 25 CB PHE A 3 6.952 -4.335 14.808 1.00 5.54 C ATOM 26 CG PHE A 3 7.333 -2.888 15.083 1.00 5.91 C ATOM 27 CD1 PHE A 3 6.769 -1.844 14.322 1.00 6.06 C ATOM 28 CD2 PHE A 3 8.274 -2.586 16.088 1.00 7.00 C ATOM 29 CE1 PHE A 3 7.155 -0.513 14.552 1.00 7.15 C ATOM 30 CE2 PHE A 3 8.657 -1.253 16.320 1.00 7.97 C ATOM 31 CZ PHE A 3 8.100 -0.217 15.549 1.00 7.99 C ATOM 0 H PHE A 3 9.390 -4.374 14.686 1.00 6.22 H new ATOM 0 HA PHE A 3 7.385 -6.014 13.529 1.00 5.34 H new ATOM 0 HB2 PHE A 3 5.879 -4.387 14.623 1.00 5.54 H new ATOM 0 HB3 PHE A 3 7.150 -4.926 15.702 1.00 5.54 H new ATOM 0 HD1 PHE A 3 6.038 -2.068 13.560 1.00 6.06 H new ATOM 0 HD2 PHE A 3 8.702 -3.380 16.681 1.00 7.00 H new ATOM 0 HE1 PHE A 3 6.725 0.283 13.962 1.00 7.15 H new ATOM 0 HE2 PHE A 3 9.379 -1.025 17.090 1.00 7.97 H new ATOM 0 HZ PHE A 3 8.399 0.806 15.723 1.00 7.99 H new ATOM 41 N THR A 4 6.144 -4.619 11.758 1.00 3.94 N ATOM 42 CA THR A 4 5.587 -4.090 10.503 1.00 3.64 C ATOM 43 C THR A 4 4.211 -3.466 10.730 1.00 2.35 C ATOM 44 O THR A 4 3.224 -4.183 10.893 1.00 3.25 O ATOM 45 CB THR A 4 5.483 -5.212 9.458 1.00 5.29 C ATOM 46 OG1 THR A 4 4.743 -6.275 10.016 1.00 6.02 O ATOM 47 CG2 THR A 4 6.853 -5.728 9.020 1.00 6.54 C ATOM 0 H THR A 4 5.526 -5.297 12.204 1.00 3.94 H new ATOM 0 HA THR A 4 6.259 -3.314 10.137 1.00 3.64 H new ATOM 0 HB THR A 4 4.991 -4.807 8.574 1.00 5.29 H new ATOM 0 HG1 THR A 4 3.983 -5.916 10.519 1.00 6.02 H new ATOM 0 HG21 THR A 4 6.725 -6.519 8.281 1.00 6.54 H new ATOM 0 HG22 THR A 4 7.426 -4.911 8.581 1.00 6.54 H new ATOM 0 HG23 THR A 4 7.387 -6.122 9.885 1.00 6.54 H new ATOM 55 N GLU A 5 4.125 -2.144 10.703 1.00 1.45 N ATOM 56 CA GLU A 5 2.872 -1.402 10.791 1.00 1.65 C ATOM 57 C GLU A 5 2.133 -1.430 9.444 1.00 1.16 C ATOM 58 O GLU A 5 2.690 -1.047 8.416 1.00 1.87 O ATOM 59 CB GLU A 5 3.115 0.035 11.325 1.00 3.43 C ATOM 60 CG GLU A 5 4.052 1.002 10.557 1.00 5.14 C ATOM 61 CD GLU A 5 5.557 0.702 10.651 1.00 5.91 C ATOM 62 OE1 GLU A 5 5.950 -0.242 11.368 1.00 5.74 O ATOM 63 OE2 GLU A 5 6.378 1.349 9.957 1.00 7.18 O ATOM 0 H GLU A 5 4.943 -1.541 10.617 1.00 1.45 H new ATOM 0 HA GLU A 5 2.219 -1.889 11.515 1.00 1.65 H new ATOM 0 HB2 GLU A 5 2.142 0.520 11.402 1.00 3.43 H new ATOM 0 HB3 GLU A 5 3.506 -0.058 12.338 1.00 3.43 H new ATOM 0 HG2 GLU A 5 3.766 0.994 9.505 1.00 5.14 H new ATOM 0 HG3 GLU A 5 3.880 2.013 10.927 1.00 5.14 H new ATOM 70 N GLY A 6 0.893 -1.939 9.417 1.00 1.28 N ATOM 71 CA GLY A 6 -0.078 -1.661 8.357 1.00 1.09 C ATOM 72 C GLY A 6 -1.517 -1.980 8.756 1.00 1.11 C ATOM 73 O GLY A 6 -1.744 -2.641 9.770 1.00 1.32 O ATOM 0 H GLY A 6 0.535 -2.562 10.141 1.00 1.28 H new ATOM 0 HA2 GLY A 6 -0.010 -0.609 8.079 1.00 1.09 H new ATOM 0 HA3 GLY A 6 0.184 -2.242 7.473 1.00 1.09 H new ATOM 77 N TRP A 7 -2.464 -1.599 7.895 1.00 1.01 N ATOM 78 CA TRP A 7 -3.850 -2.066 7.908 1.00 0.98 C ATOM 79 C TRP A 7 -4.516 -1.948 6.529 1.00 0.92 C ATOM 80 O TRP A 7 -4.157 -1.099 5.715 1.00 0.99 O ATOM 81 CB TRP A 7 -4.688 -1.373 8.990 1.00 1.11 C ATOM 82 CG TRP A 7 -4.945 0.098 8.834 1.00 1.07 C ATOM 83 CD1 TRP A 7 -6.071 0.666 8.338 1.00 1.14 C ATOM 84 CD2 TRP A 7 -4.101 1.212 9.261 1.00 1.20 C ATOM 85 NE1 TRP A 7 -5.987 2.044 8.443 1.00 1.32 N ATOM 86 CE2 TRP A 7 -4.797 2.433 9.022 1.00 1.41 C ATOM 87 CE3 TRP A 7 -2.825 1.305 9.858 1.00 1.35 C ATOM 88 CZ2 TRP A 7 -4.266 3.681 9.384 1.00 1.77 C ATOM 89 CZ3 TRP A 7 -2.276 2.550 10.213 1.00 1.69 C ATOM 90 CH2 TRP A 7 -2.999 3.734 9.991 1.00 1.91 C ATOM 0 H TRP A 7 -2.279 -0.934 7.144 1.00 1.01 H new ATOM 0 HA TRP A 7 -3.810 -3.126 8.160 1.00 0.98 H new ATOM 0 HB2 TRP A 7 -5.652 -1.879 9.044 1.00 1.11 H new ATOM 0 HB3 TRP A 7 -4.193 -1.528 9.949 1.00 1.11 H new ATOM 0 HD1 TRP A 7 -6.908 0.125 7.923 1.00 1.14 H new ATOM 0 HE1 TRP A 7 -6.713 2.689 8.132 1.00 1.32 H new ATOM 0 HE3 TRP A 7 -2.260 0.404 10.045 1.00 1.35 H new ATOM 0 HZ2 TRP A 7 -4.823 4.588 9.199 1.00 1.77 H new ATOM 0 HZ3 TRP A 7 -1.293 2.596 10.659 1.00 1.69 H new ATOM 0 HH2 TRP A 7 -2.581 4.685 10.287 1.00 1.91 H new ATOM 101 N VAL A 8 -5.512 -2.789 6.254 1.00 0.90 N ATOM 102 CA VAL A 8 -6.331 -2.688 5.034 1.00 0.90 C ATOM 103 C VAL A 8 -7.590 -1.871 5.357 1.00 0.98 C ATOM 104 O VAL A 8 -8.156 -2.017 6.441 1.00 1.04 O ATOM 105 CB VAL A 8 -6.664 -4.079 4.458 1.00 0.93 C ATOM 106 CG1 VAL A 8 -7.498 -3.989 3.171 1.00 1.07 C ATOM 107 CG2 VAL A 8 -5.383 -4.882 4.166 1.00 0.90 C ATOM 0 H VAL A 8 -5.778 -3.560 6.866 1.00 0.90 H new ATOM 0 HA VAL A 8 -5.769 -2.174 4.255 1.00 0.90 H new ATOM 0 HB VAL A 8 -7.252 -4.591 5.220 1.00 0.93 H new ATOM 0 HG11 VAL A 8 -7.708 -4.993 2.802 1.00 1.07 H new ATOM 0 HG12 VAL A 8 -8.437 -3.476 3.381 1.00 1.07 H new ATOM 0 HG13 VAL A 8 -6.942 -3.434 2.415 1.00 1.07 H new ATOM 0 HG21 VAL A 8 -5.650 -5.858 3.761 1.00 0.90 H new ATOM 0 HG22 VAL A 8 -4.773 -4.343 3.441 1.00 0.90 H new ATOM 0 HG23 VAL A 8 -4.818 -5.014 5.089 1.00 0.90 H new ATOM 117 N ARG A 9 -8.014 -0.996 4.436 1.00 1.02 N ATOM 118 CA ARG A 9 -9.181 -0.120 4.614 1.00 1.15 C ATOM 119 C ARG A 9 -10.498 -0.888 4.454 1.00 1.21 C ATOM 120 O ARG A 9 -10.904 -1.229 3.343 1.00 2.05 O ATOM 121 CB ARG A 9 -9.093 1.062 3.633 1.00 1.28 C ATOM 122 CG ARG A 9 -10.353 1.950 3.608 1.00 1.83 C ATOM 123 CD ARG A 9 -10.060 3.357 3.068 1.00 1.96 C ATOM 124 NE ARG A 9 -9.268 4.127 4.036 1.00 2.19 N ATOM 125 CZ ARG A 9 -8.755 5.345 3.931 1.00 3.60 C ATOM 126 NH1 ARG A 9 -8.935 6.102 2.870 1.00 4.60 N ATOM 127 NH2 ARG A 9 -8.031 5.798 4.929 1.00 4.70 N ATOM 0 H ARG A 9 -7.551 -0.874 3.535 1.00 1.02 H new ATOM 0 HA ARG A 9 -9.171 0.268 5.633 1.00 1.15 H new ATOM 0 HB2 ARG A 9 -8.233 1.677 3.897 1.00 1.28 H new ATOM 0 HB3 ARG A 9 -8.913 0.676 2.630 1.00 1.28 H new ATOM 0 HG2 ARG A 9 -11.116 1.477 2.990 1.00 1.83 H new ATOM 0 HG3 ARG A 9 -10.761 2.027 4.616 1.00 1.83 H new ATOM 0 HD2 ARG A 9 -9.520 3.285 2.124 1.00 1.96 H new ATOM 0 HD3 ARG A 9 -10.996 3.876 2.861 1.00 1.96 H new ATOM 0 HE ARG A 9 -9.085 3.654 4.921 1.00 2.19 H new ATOM 0 HH11 ARG A 9 -9.488 5.757 2.085 1.00 4.60 H new ATOM 0 HH12 ARG A 9 -8.521 7.034 2.832 1.00 4.60 H new ATOM 0 HH21 ARG A 9 -7.878 5.217 5.753 1.00 4.70 H new ATOM 0 HH22 ARG A 9 -7.622 6.731 4.880 1.00 4.70 H new ATOM 141 N PHE A 10 -11.195 -1.071 5.580 1.00 0.99 N ATOM 142 CA PHE A 10 -12.559 -1.604 5.662 1.00 0.98 C ATOM 143 C PHE A 10 -13.495 -0.920 4.643 1.00 1.14 C ATOM 144 O PHE A 10 -13.610 0.308 4.592 1.00 1.52 O ATOM 145 CB PHE A 10 -13.049 -1.447 7.126 1.00 0.98 C ATOM 146 CG PHE A 10 -14.544 -1.485 7.440 1.00 1.16 C ATOM 147 CD1 PHE A 10 -15.479 -2.134 6.614 1.00 1.63 C ATOM 148 CD2 PHE A 10 -15.018 -0.807 8.578 1.00 2.47 C ATOM 149 CE1 PHE A 10 -16.856 -1.960 6.803 1.00 1.76 C ATOM 150 CE2 PHE A 10 -16.395 -0.734 8.843 1.00 2.84 C ATOM 151 CZ PHE A 10 -17.320 -1.265 7.928 1.00 1.89 C ATOM 0 H PHE A 10 -10.809 -0.843 6.496 1.00 0.99 H new ATOM 0 HA PHE A 10 -12.568 -2.661 5.397 1.00 0.98 H new ATOM 0 HB2 PHE A 10 -12.575 -2.234 7.713 1.00 0.98 H new ATOM 0 HB3 PHE A 10 -12.664 -0.497 7.496 1.00 0.98 H new ATOM 0 HD1 PHE A 10 -15.129 -2.778 5.820 1.00 1.63 H new ATOM 0 HD2 PHE A 10 -14.317 -0.339 9.253 1.00 2.47 H new ATOM 0 HE1 PHE A 10 -17.557 -2.360 6.085 1.00 1.76 H new ATOM 0 HE2 PHE A 10 -16.744 -0.268 9.753 1.00 2.84 H new ATOM 0 HZ PHE A 10 -18.380 -1.138 8.091 1.00 1.89 H new ATOM 161 N SER A 11 -14.232 -1.728 3.878 1.00 1.01 N ATOM 162 CA SER A 11 -15.411 -1.306 3.126 1.00 1.24 C ATOM 163 C SER A 11 -16.405 -2.455 2.842 1.00 1.31 C ATOM 164 O SER A 11 -16.086 -3.623 3.087 1.00 1.54 O ATOM 165 CB SER A 11 -14.932 -0.649 1.829 1.00 1.55 C ATOM 166 OG SER A 11 -14.807 0.738 2.055 1.00 2.29 O ATOM 0 H SER A 11 -14.018 -2.719 3.763 1.00 1.01 H new ATOM 0 HA SER A 11 -15.972 -0.596 3.734 1.00 1.24 H new ATOM 0 HB2 SER A 11 -13.976 -1.071 1.520 1.00 1.55 H new ATOM 0 HB3 SER A 11 -15.640 -0.840 1.023 1.00 1.55 H new ATOM 0 HG SER A 11 -14.363 0.891 2.915 1.00 2.29 H new ATOM 172 N PRO A 12 -17.636 -2.137 2.386 1.00 1.40 N ATOM 173 CA PRO A 12 -18.682 -3.118 2.080 1.00 1.57 C ATOM 174 C PRO A 12 -18.730 -3.545 0.599 1.00 1.55 C ATOM 175 O PRO A 12 -19.592 -4.348 0.246 1.00 2.14 O ATOM 176 CB PRO A 12 -19.977 -2.396 2.466 1.00 1.84 C ATOM 177 CG PRO A 12 -19.695 -0.959 2.033 1.00 1.83 C ATOM 178 CD PRO A 12 -18.213 -0.792 2.372 1.00 1.59 C ATOM 0 HA PRO A 12 -18.506 -4.049 2.619 1.00 1.57 H new ATOM 0 HB2 PRO A 12 -20.843 -2.813 1.951 1.00 1.84 H new ATOM 0 HB3 PRO A 12 -20.178 -2.466 3.535 1.00 1.84 H new ATOM 0 HG2 PRO A 12 -19.887 -0.811 0.970 1.00 1.83 H new ATOM 0 HG3 PRO A 12 -20.317 -0.244 2.572 1.00 1.83 H new ATOM 0 HD2 PRO A 12 -17.715 -0.164 1.634 1.00 1.59 H new ATOM 0 HD3 PRO A 12 -18.089 -0.306 3.340 1.00 1.59 H new ATOM 186 N GLY A 13 -17.874 -2.986 -0.270 1.00 1.17 N ATOM 187 CA GLY A 13 -17.971 -3.098 -1.733 1.00 1.27 C ATOM 188 C GLY A 13 -16.996 -4.097 -2.389 1.00 1.24 C ATOM 189 O GLY A 13 -16.370 -4.893 -1.694 1.00 1.50 O ATOM 0 H GLY A 13 -17.075 -2.429 0.033 1.00 1.17 H new ATOM 0 HA2 GLY A 13 -18.989 -3.389 -1.991 1.00 1.27 H new ATOM 0 HA3 GLY A 13 -17.801 -2.113 -2.167 1.00 1.27 H new ATOM 193 N PRO A 14 -16.872 -4.057 -3.733 1.00 1.15 N ATOM 194 CA PRO A 14 -15.982 -4.923 -4.520 1.00 1.22 C ATOM 195 C PRO A 14 -14.502 -4.505 -4.490 1.00 1.10 C ATOM 196 O PRO A 14 -13.642 -5.213 -5.014 1.00 1.21 O ATOM 197 CB PRO A 14 -16.502 -4.798 -5.952 1.00 1.34 C ATOM 198 CG PRO A 14 -17.085 -3.389 -6.016 1.00 1.26 C ATOM 199 CD PRO A 14 -17.653 -3.195 -4.615 1.00 1.17 C ATOM 0 HA PRO A 14 -16.000 -5.933 -4.111 1.00 1.22 H new ATOM 0 HB2 PRO A 14 -15.701 -4.931 -6.680 1.00 1.34 H new ATOM 0 HB3 PRO A 14 -17.258 -5.552 -6.168 1.00 1.34 H new ATOM 0 HG2 PRO A 14 -16.323 -2.646 -6.250 1.00 1.26 H new ATOM 0 HG3 PRO A 14 -17.857 -3.305 -6.781 1.00 1.26 H new ATOM 0 HD2 PRO A 14 -17.578 -2.152 -4.306 1.00 1.17 H new ATOM 0 HD3 PRO A 14 -18.709 -3.462 -4.583 1.00 1.17 H new ATOM 207 N ASN A 15 -14.222 -3.323 -3.952 1.00 1.00 N ATOM 208 CA ASN A 15 -12.955 -2.617 -3.965 1.00 0.88 C ATOM 209 C ASN A 15 -12.562 -2.014 -2.597 1.00 0.78 C ATOM 210 O ASN A 15 -13.398 -1.780 -1.720 1.00 1.00 O ATOM 211 CB ASN A 15 -13.056 -1.528 -5.042 1.00 1.12 C ATOM 212 CG ASN A 15 -14.268 -0.599 -4.966 1.00 1.51 C ATOM 213 OD1 ASN A 15 -15.187 -0.749 -4.175 1.00 2.43 O ATOM 214 ND2 ASN A 15 -14.313 0.390 -5.840 1.00 1.60 N ATOM 0 H ASN A 15 -14.939 -2.794 -3.455 1.00 1.00 H new ATOM 0 HA ASN A 15 -12.160 -3.328 -4.188 1.00 0.88 H new ATOM 0 HB2 ASN A 15 -12.155 -0.917 -4.994 1.00 1.12 H new ATOM 0 HB3 ASN A 15 -13.060 -2.014 -6.018 1.00 1.12 H new ATOM 0 HD21 ASN A 15 -15.112 1.024 -5.852 1.00 1.60 H new ATOM 0 HD22 ASN A 15 -13.549 0.520 -6.503 1.00 1.60 H new ATOM 221 N ALA A 16 -11.257 -1.758 -2.438 1.00 0.62 N ATOM 222 CA ALA A 16 -10.589 -1.255 -1.235 1.00 0.60 C ATOM 223 C ALA A 16 -9.237 -0.575 -1.554 1.00 0.64 C ATOM 224 O ALA A 16 -8.868 -0.393 -2.716 1.00 0.66 O ATOM 225 CB ALA A 16 -10.453 -2.409 -0.227 1.00 0.58 C ATOM 0 H ALA A 16 -10.596 -1.908 -3.200 1.00 0.62 H new ATOM 0 HA ALA A 16 -11.198 -0.469 -0.788 1.00 0.60 H new ATOM 0 HB1 ALA A 16 -9.957 -2.048 0.674 1.00 0.58 H new ATOM 0 HB2 ALA A 16 -11.443 -2.786 0.030 1.00 0.58 H new ATOM 0 HB3 ALA A 16 -9.863 -3.211 -0.670 1.00 0.58 H new ATOM 231 N ALA A 17 -8.513 -0.179 -0.504 1.00 0.68 N ATOM 232 CA ALA A 17 -7.142 0.341 -0.503 1.00 0.65 C ATOM 233 C ALA A 17 -6.400 -0.292 0.694 1.00 0.70 C ATOM 234 O ALA A 17 -7.048 -0.618 1.689 1.00 0.83 O ATOM 235 CB ALA A 17 -7.208 1.868 -0.368 1.00 0.67 C ATOM 0 H ALA A 17 -8.899 -0.216 0.439 1.00 0.68 H new ATOM 0 HA ALA A 17 -6.611 0.095 -1.423 1.00 0.65 H new ATOM 0 HB1 ALA A 17 -6.198 2.277 -0.365 1.00 0.67 H new ATOM 0 HB2 ALA A 17 -7.765 2.284 -1.207 1.00 0.67 H new ATOM 0 HB3 ALA A 17 -7.708 2.130 0.565 1.00 0.67 H new ATOM 241 N ALA A 18 -5.080 -0.470 0.630 1.00 0.68 N ATOM 242 CA ALA A 18 -4.291 -1.082 1.705 1.00 0.74 C ATOM 243 C ALA A 18 -3.042 -0.263 2.047 1.00 0.70 C ATOM 244 O ALA A 18 -2.420 0.332 1.164 1.00 0.69 O ATOM 245 CB ALA A 18 -3.909 -2.513 1.313 1.00 0.78 C ATOM 0 H ALA A 18 -4.521 -0.191 -0.176 1.00 0.68 H new ATOM 0 HA ALA A 18 -4.909 -1.103 2.603 1.00 0.74 H new ATOM 0 HB1 ALA A 18 -3.323 -2.965 2.113 1.00 0.78 H new ATOM 0 HB2 ALA A 18 -4.813 -3.099 1.150 1.00 0.78 H new ATOM 0 HB3 ALA A 18 -3.318 -2.494 0.397 1.00 0.78 H new ATOM 251 N TYR A 19 -2.691 -0.251 3.331 1.00 0.75 N ATOM 252 CA TYR A 19 -1.565 0.483 3.920 1.00 0.74 C ATOM 253 C TYR A 19 -0.635 -0.472 4.682 1.00 0.87 C ATOM 254 O TYR A 19 -1.106 -1.420 5.316 1.00 1.62 O ATOM 255 CB TYR A 19 -2.103 1.539 4.897 1.00 0.74 C ATOM 256 CG TYR A 19 -3.133 2.473 4.299 1.00 0.86 C ATOM 257 CD1 TYR A 19 -2.710 3.519 3.459 1.00 2.02 C ATOM 258 CD2 TYR A 19 -4.503 2.314 4.590 1.00 1.93 C ATOM 259 CE1 TYR A 19 -3.650 4.431 2.949 1.00 2.34 C ATOM 260 CE2 TYR A 19 -5.450 3.212 4.058 1.00 2.01 C ATOM 261 CZ TYR A 19 -5.019 4.282 3.247 1.00 1.56 C ATOM 262 OH TYR A 19 -5.885 5.209 2.759 1.00 1.97 O ATOM 0 H TYR A 19 -3.211 -0.781 4.030 1.00 0.75 H new ATOM 0 HA TYR A 19 -1.003 0.960 3.117 1.00 0.74 H new ATOM 0 HB2 TYR A 19 -2.544 1.032 5.755 1.00 0.74 H new ATOM 0 HB3 TYR A 19 -1.267 2.130 5.271 1.00 0.74 H new ATOM 0 HD1 TYR A 19 -1.665 3.621 3.206 1.00 2.02 H new ATOM 0 HD2 TYR A 19 -4.828 1.501 5.223 1.00 1.93 H new ATOM 0 HE1 TYR A 19 -3.321 5.250 2.326 1.00 2.34 H new ATOM 0 HE2 TYR A 19 -6.501 3.081 4.270 1.00 2.01 H new ATOM 0 HH TYR A 19 -5.532 6.107 2.928 1.00 1.97 H new ATOM 272 N LEU A 20 0.675 -0.217 4.617 1.00 0.96 N ATOM 273 CA LEU A 20 1.739 -1.019 5.228 1.00 1.02 C ATOM 274 C LEU A 20 3.104 -0.348 5.094 1.00 0.93 C ATOM 275 O LEU A 20 3.280 0.589 4.317 1.00 0.94 O ATOM 276 CB LEU A 20 1.737 -2.516 4.796 1.00 1.23 C ATOM 277 CG LEU A 20 1.935 -2.954 3.326 1.00 1.36 C ATOM 278 CD1 LEU A 20 0.831 -2.458 2.383 1.00 3.11 C ATOM 279 CD2 LEU A 20 3.317 -2.614 2.759 1.00 1.94 C ATOM 0 H LEU A 20 1.039 0.592 4.114 1.00 0.96 H new ATOM 0 HA LEU A 20 1.512 -1.054 6.293 1.00 1.02 H new ATOM 0 HB2 LEU A 20 2.516 -3.010 5.377 1.00 1.23 H new ATOM 0 HB3 LEU A 20 0.784 -2.934 5.121 1.00 1.23 H new ATOM 0 HG LEU A 20 1.863 -4.041 3.371 1.00 1.36 H new ATOM 0 HD11 LEU A 20 1.036 -2.803 1.370 1.00 3.11 H new ATOM 0 HD12 LEU A 20 -0.132 -2.850 2.712 1.00 3.11 H new ATOM 0 HD13 LEU A 20 0.803 -1.368 2.397 1.00 3.11 H new ATOM 0 HD21 LEU A 20 3.379 -2.952 1.725 1.00 1.94 H new ATOM 0 HD22 LEU A 20 3.471 -1.536 2.798 1.00 1.94 H new ATOM 0 HD23 LEU A 20 4.085 -3.112 3.350 1.00 1.94 H new ATOM 291 N THR A 21 4.073 -0.856 5.857 1.00 1.09 N ATOM 292 CA THR A 21 5.443 -0.352 5.907 1.00 1.25 C ATOM 293 C THR A 21 6.431 -1.207 5.128 1.00 1.38 C ATOM 294 O THR A 21 6.215 -2.398 4.911 1.00 1.60 O ATOM 295 CB THR A 21 5.847 -0.203 7.365 1.00 1.49 C ATOM 296 OG1 THR A 21 6.814 0.796 7.453 1.00 2.76 O ATOM 297 CG2 THR A 21 6.420 -1.456 8.016 1.00 1.75 C ATOM 0 H THR A 21 3.920 -1.653 6.475 1.00 1.09 H new ATOM 0 HA THR A 21 5.470 0.619 5.412 1.00 1.25 H new ATOM 0 HB THR A 21 4.927 0.029 7.901 1.00 1.49 H new ATOM 0 HG1 THR A 21 6.706 1.282 8.297 1.00 2.76 H new ATOM 0 HG21 THR A 21 6.676 -1.242 9.054 1.00 1.75 H new ATOM 0 HG22 THR A 21 5.679 -2.255 7.982 1.00 1.75 H new ATOM 0 HG23 THR A 21 7.316 -1.768 7.479 1.00 1.75 H new ATOM 305 N LEU A 22 7.570 -0.602 4.794 1.00 1.42 N ATOM 306 CA LEU A 22 8.747 -1.260 4.239 1.00 1.64 C ATOM 307 C LEU A 22 9.993 -0.852 5.033 1.00 1.40 C ATOM 308 O LEU A 22 10.275 0.335 5.208 1.00 1.41 O ATOM 309 CB LEU A 22 8.859 -0.869 2.752 1.00 2.10 C ATOM 310 CG LEU A 22 10.047 -1.481 1.980 1.00 2.75 C ATOM 311 CD1 LEU A 22 10.163 -3.003 2.139 1.00 2.60 C ATOM 312 CD2 LEU A 22 9.886 -1.147 0.488 1.00 3.87 C ATOM 0 H LEU A 22 7.701 0.403 4.909 1.00 1.42 H new ATOM 0 HA LEU A 22 8.659 -2.344 4.313 1.00 1.64 H new ATOM 0 HB2 LEU A 22 7.936 -1.160 2.250 1.00 2.10 H new ATOM 0 HB3 LEU A 22 8.929 0.217 2.686 1.00 2.10 H new ATOM 0 HG LEU A 22 10.957 -1.050 2.398 1.00 2.75 H new ATOM 0 HD11 LEU A 22 11.019 -3.364 1.570 1.00 2.60 H new ATOM 0 HD12 LEU A 22 10.297 -3.250 3.192 1.00 2.60 H new ATOM 0 HD13 LEU A 22 9.255 -3.478 1.768 1.00 2.60 H new ATOM 0 HD21 LEU A 22 10.719 -1.573 -0.072 1.00 3.87 H new ATOM 0 HD22 LEU A 22 8.949 -1.566 0.120 1.00 3.87 H new ATOM 0 HD23 LEU A 22 9.876 -0.065 0.356 1.00 3.87 H new ATOM 324 N GLU A 23 10.781 -1.836 5.471 1.00 1.36 N ATOM 325 CA GLU A 23 12.192 -1.640 5.810 1.00 1.28 C ATOM 326 C GLU A 23 13.067 -2.487 4.891 1.00 1.10 C ATOM 327 O GLU A 23 12.725 -3.617 4.553 1.00 1.30 O ATOM 328 CB GLU A 23 12.500 -1.926 7.291 1.00 1.72 C ATOM 329 CG GLU A 23 12.123 -3.330 7.803 1.00 1.95 C ATOM 330 CD GLU A 23 12.691 -3.618 9.196 1.00 2.48 C ATOM 331 OE1 GLU A 23 12.931 -2.685 9.995 1.00 3.34 O ATOM 332 OE2 GLU A 23 12.931 -4.792 9.548 1.00 3.15 O ATOM 0 H GLU A 23 10.457 -2.795 5.601 1.00 1.36 H new ATOM 0 HA GLU A 23 12.421 -0.586 5.656 1.00 1.28 H new ATOM 0 HB2 GLU A 23 13.567 -1.776 7.455 1.00 1.72 H new ATOM 0 HB3 GLU A 23 11.978 -1.187 7.899 1.00 1.72 H new ATOM 0 HG2 GLU A 23 11.037 -3.424 7.830 1.00 1.95 H new ATOM 0 HG3 GLU A 23 12.490 -4.080 7.102 1.00 1.95 H new ATOM 339 N ASN A 24 14.211 -1.932 4.508 1.00 0.94 N ATOM 340 CA ASN A 24 15.242 -2.625 3.752 1.00 0.82 C ATOM 341 C ASN A 24 16.296 -3.194 4.726 1.00 0.78 C ATOM 342 O ASN A 24 17.047 -2.420 5.329 1.00 0.85 O ATOM 343 CB ASN A 24 15.859 -1.615 2.781 1.00 0.85 C ATOM 344 CG ASN A 24 16.886 -2.263 1.870 1.00 0.88 C ATOM 345 OD1 ASN A 24 17.320 -3.389 2.077 1.00 1.49 O ATOM 346 ND2 ASN A 24 17.300 -1.567 0.837 1.00 0.80 N ATOM 0 H ASN A 24 14.451 -0.964 4.721 1.00 0.94 H new ATOM 0 HA ASN A 24 14.831 -3.463 3.188 1.00 0.82 H new ATOM 0 HB2 ASN A 24 15.072 -1.163 2.178 1.00 0.85 H new ATOM 0 HB3 ASN A 24 16.330 -0.810 3.345 1.00 0.85 H new ATOM 0 HD21 ASN A 24 17.989 -1.963 0.198 1.00 0.80 H new ATOM 0 HD22 ASN A 24 16.932 -0.630 0.673 1.00 0.80 H new ATOM 353 N PRO A 25 16.376 -4.526 4.894 1.00 0.81 N ATOM 354 CA PRO A 25 17.348 -5.166 5.778 1.00 0.86 C ATOM 355 C PRO A 25 18.728 -5.406 5.141 1.00 0.87 C ATOM 356 O PRO A 25 19.644 -5.814 5.855 1.00 1.00 O ATOM 357 CB PRO A 25 16.692 -6.504 6.140 1.00 0.99 C ATOM 358 CG PRO A 25 15.939 -6.857 4.856 1.00 1.01 C ATOM 359 CD PRO A 25 15.413 -5.507 4.405 1.00 0.93 C ATOM 0 HA PRO A 25 17.562 -4.522 6.631 1.00 0.86 H new ATOM 0 HB2 PRO A 25 17.431 -7.262 6.399 1.00 0.99 H new ATOM 0 HB3 PRO A 25 16.020 -6.410 6.993 1.00 0.99 H new ATOM 0 HG2 PRO A 25 16.595 -7.307 4.111 1.00 1.01 H new ATOM 0 HG3 PRO A 25 15.132 -7.566 5.040 1.00 1.01 H new ATOM 0 HD2 PRO A 25 15.326 -5.463 3.319 1.00 0.93 H new ATOM 0 HD3 PRO A 25 14.420 -5.318 4.812 1.00 0.93 H new ATOM 367 N GLY A 26 18.890 -5.202 3.826 1.00 0.84 N ATOM 368 CA GLY A 26 20.106 -5.538 3.100 1.00 0.96 C ATOM 369 C GLY A 26 21.143 -4.425 3.125 1.00 0.97 C ATOM 370 O GLY A 26 20.925 -3.329 3.637 1.00 1.20 O ATOM 0 H GLY A 26 18.166 -4.793 3.236 1.00 0.84 H new ATOM 0 HA2 GLY A 26 20.540 -6.441 3.529 1.00 0.96 H new ATOM 0 HA3 GLY A 26 19.852 -5.767 2.065 1.00 0.96 H new ATOM 374 N ASP A 27 22.288 -4.723 2.522 1.00 1.10 N ATOM 375 CA ASP A 27 23.398 -3.778 2.322 1.00 1.34 C ATOM 376 C ASP A 27 23.271 -3.008 0.988 1.00 1.27 C ATOM 377 O ASP A 27 24.004 -2.060 0.725 1.00 1.44 O ATOM 378 CB ASP A 27 24.726 -4.554 2.429 1.00 1.71 C ATOM 379 CG ASP A 27 25.871 -3.707 2.999 1.00 2.78 C ATOM 380 OD1 ASP A 27 25.646 -3.116 4.084 1.00 3.35 O ATOM 381 OD2 ASP A 27 26.958 -3.691 2.391 1.00 4.10 O ATOM 0 H ASP A 27 22.482 -5.651 2.146 1.00 1.10 H new ATOM 0 HA ASP A 27 23.369 -3.014 3.099 1.00 1.34 H new ATOM 0 HB2 ASP A 27 24.579 -5.429 3.062 1.00 1.71 H new ATOM 0 HB3 ASP A 27 25.008 -4.919 1.441 1.00 1.71 H new ATOM 386 N LEU A 28 22.283 -3.396 0.172 1.00 1.09 N ATOM 387 CA LEU A 28 21.976 -2.886 -1.164 1.00 1.04 C ATOM 388 C LEU A 28 20.545 -2.306 -1.215 1.00 0.91 C ATOM 389 O LEU A 28 19.734 -2.617 -0.339 1.00 0.86 O ATOM 390 CB LEU A 28 22.248 -4.023 -2.173 1.00 1.18 C ATOM 391 CG LEU A 28 21.448 -5.334 -1.998 1.00 1.59 C ATOM 392 CD1 LEU A 28 20.021 -5.261 -2.561 1.00 1.93 C ATOM 393 CD2 LEU A 28 22.190 -6.474 -2.712 1.00 1.99 C ATOM 0 H LEU A 28 21.631 -4.129 0.452 1.00 1.09 H new ATOM 0 HA LEU A 28 22.616 -2.046 -1.433 1.00 1.04 H new ATOM 0 HB2 LEU A 28 22.052 -3.639 -3.174 1.00 1.18 H new ATOM 0 HB3 LEU A 28 23.309 -4.267 -2.128 1.00 1.18 H new ATOM 0 HG LEU A 28 21.367 -5.508 -0.925 1.00 1.59 H new ATOM 0 HD11 LEU A 28 19.519 -6.215 -2.404 1.00 1.93 H new ATOM 0 HD12 LEU A 28 19.469 -4.472 -2.051 1.00 1.93 H new ATOM 0 HD13 LEU A 28 20.062 -5.044 -3.628 1.00 1.93 H new ATOM 0 HD21 LEU A 28 21.631 -7.402 -2.593 1.00 1.99 H new ATOM 0 HD22 LEU A 28 22.283 -6.240 -3.772 1.00 1.99 H new ATOM 0 HD23 LEU A 28 23.183 -6.590 -2.278 1.00 1.99 H new ATOM 405 N PRO A 29 20.206 -1.445 -2.195 1.00 0.92 N ATOM 406 CA PRO A 29 18.903 -0.793 -2.253 1.00 0.86 C ATOM 407 C PRO A 29 17.819 -1.749 -2.767 1.00 0.88 C ATOM 408 O PRO A 29 18.081 -2.633 -3.584 1.00 1.02 O ATOM 409 CB PRO A 29 19.091 0.421 -3.164 1.00 0.92 C ATOM 410 CG PRO A 29 20.198 -0.027 -4.118 1.00 1.02 C ATOM 411 CD PRO A 29 21.058 -0.969 -3.273 1.00 1.02 C ATOM 0 HA PRO A 29 18.559 -0.486 -1.265 1.00 0.86 H new ATOM 0 HB2 PRO A 29 18.174 0.669 -3.699 1.00 0.92 H new ATOM 0 HB3 PRO A 29 19.380 1.307 -2.599 1.00 0.92 H new ATOM 0 HG2 PRO A 29 19.790 -0.535 -4.992 1.00 1.02 H new ATOM 0 HG3 PRO A 29 20.777 0.821 -4.484 1.00 1.02 H new ATOM 0 HD2 PRO A 29 21.427 -1.801 -3.873 1.00 1.02 H new ATOM 0 HD3 PRO A 29 21.931 -0.449 -2.878 1.00 1.02 H new ATOM 419 N LEU A 30 16.592 -1.540 -2.286 1.00 0.77 N ATOM 420 CA LEU A 30 15.372 -2.207 -2.743 1.00 0.75 C ATOM 421 C LEU A 30 14.482 -1.200 -3.472 1.00 0.72 C ATOM 422 O LEU A 30 14.434 -0.013 -3.150 1.00 0.75 O ATOM 423 CB LEU A 30 14.579 -2.789 -1.554 1.00 0.75 C ATOM 424 CG LEU A 30 14.903 -4.225 -1.086 1.00 0.74 C ATOM 425 CD1 LEU A 30 16.386 -4.611 -1.120 1.00 2.59 C ATOM 426 CD2 LEU A 30 14.305 -4.459 0.304 1.00 2.33 C ATOM 0 H LEU A 30 16.414 -0.873 -1.535 1.00 0.77 H new ATOM 0 HA LEU A 30 15.661 -3.019 -3.410 1.00 0.75 H new ATOM 0 HB2 LEU A 30 14.721 -2.123 -0.703 1.00 0.75 H new ATOM 0 HB3 LEU A 30 13.521 -2.755 -1.813 1.00 0.75 H new ATOM 0 HG LEU A 30 14.441 -4.886 -1.819 1.00 0.74 H new ATOM 0 HD11 LEU A 30 16.503 -5.637 -0.772 1.00 2.59 H new ATOM 0 HD12 LEU A 30 16.760 -4.529 -2.140 1.00 2.59 H new ATOM 0 HD13 LEU A 30 16.951 -3.942 -0.471 1.00 2.59 H new ATOM 0 HD21 LEU A 30 14.534 -5.473 0.633 1.00 2.33 H new ATOM 0 HD22 LEU A 30 14.730 -3.744 1.008 1.00 2.33 H new ATOM 0 HD23 LEU A 30 13.224 -4.327 0.262 1.00 2.33 H new ATOM 438 N ARG A 31 13.692 -1.751 -4.388 1.00 0.67 N ATOM 439 CA ARG A 31 12.683 -1.031 -5.164 1.00 0.62 C ATOM 440 C ARG A 31 11.426 -1.878 -5.275 1.00 0.65 C ATOM 441 O ARG A 31 11.461 -2.940 -5.900 1.00 0.70 O ATOM 442 CB ARG A 31 13.216 -0.711 -6.565 1.00 0.53 C ATOM 443 CG ARG A 31 12.268 0.254 -7.298 1.00 0.61 C ATOM 444 CD ARG A 31 12.861 0.788 -8.602 1.00 0.62 C ATOM 445 NE ARG A 31 13.924 1.772 -8.341 1.00 1.10 N ATOM 446 CZ ARG A 31 14.441 2.642 -9.197 1.00 1.49 C ATOM 447 NH1 ARG A 31 14.005 2.732 -10.435 1.00 2.41 N ATOM 448 NH2 ARG A 31 15.406 3.444 -8.819 1.00 2.29 N ATOM 0 H ARG A 31 13.736 -2.743 -4.620 1.00 0.67 H new ATOM 0 HA ARG A 31 12.449 -0.095 -4.656 1.00 0.62 H new ATOM 0 HB2 ARG A 31 14.209 -0.267 -6.490 1.00 0.53 H new ATOM 0 HB3 ARG A 31 13.321 -1.632 -7.139 1.00 0.53 H new ATOM 0 HG2 ARG A 31 11.330 -0.258 -7.513 1.00 0.61 H new ATOM 0 HG3 ARG A 31 12.030 1.091 -6.642 1.00 0.61 H new ATOM 0 HD2 ARG A 31 13.263 -0.039 -9.187 1.00 0.62 H new ATOM 0 HD3 ARG A 31 12.075 1.249 -9.200 1.00 0.62 H new ATOM 0 HE ARG A 31 14.306 1.786 -7.395 1.00 1.10 H new ATOM 0 HH11 ARG A 31 13.252 2.124 -10.756 1.00 2.41 H new ATOM 0 HH12 ARG A 31 14.420 3.410 -11.074 1.00 2.41 H new ATOM 0 HH21 ARG A 31 15.761 3.400 -7.864 1.00 2.29 H new ATOM 0 HH22 ARG A 31 15.802 4.112 -9.480 1.00 2.29 H new ATOM 462 N LEU A 32 10.332 -1.429 -4.671 1.00 0.63 N ATOM 463 CA LEU A 32 9.024 -2.080 -4.727 1.00 0.60 C ATOM 464 C LEU A 32 8.295 -1.581 -5.963 1.00 0.61 C ATOM 465 O LEU A 32 8.086 -0.386 -6.075 1.00 0.72 O ATOM 466 CB LEU A 32 8.271 -1.751 -3.431 1.00 0.61 C ATOM 467 CG LEU A 32 6.867 -2.387 -3.324 1.00 0.69 C ATOM 468 CD1 LEU A 32 6.508 -2.529 -1.841 1.00 1.74 C ATOM 469 CD2 LEU A 32 5.756 -1.569 -4.012 1.00 1.92 C ATOM 0 H LEU A 32 10.328 -0.576 -4.111 1.00 0.63 H new ATOM 0 HA LEU A 32 9.107 -3.164 -4.803 1.00 0.60 H new ATOM 0 HB2 LEU A 32 8.871 -2.082 -2.583 1.00 0.61 H new ATOM 0 HB3 LEU A 32 8.172 -0.669 -3.348 1.00 0.61 H new ATOM 0 HG LEU A 32 6.919 -3.348 -3.836 1.00 0.69 H new ATOM 0 HD11 LEU A 32 5.519 -2.977 -1.747 1.00 1.74 H new ATOM 0 HD12 LEU A 32 7.243 -3.166 -1.348 1.00 1.74 H new ATOM 0 HD13 LEU A 32 6.507 -1.545 -1.371 1.00 1.74 H new ATOM 0 HD21 LEU A 32 4.801 -2.081 -3.893 1.00 1.92 H new ATOM 0 HD22 LEU A 32 5.697 -0.580 -3.557 1.00 1.92 H new ATOM 0 HD23 LEU A 32 5.983 -1.467 -5.073 1.00 1.92 H new ATOM 481 N VAL A 33 7.864 -2.472 -6.846 1.00 0.52 N ATOM 482 CA VAL A 33 7.172 -2.131 -8.108 1.00 0.50 C ATOM 483 C VAL A 33 5.718 -2.646 -8.127 1.00 0.50 C ATOM 484 O VAL A 33 4.935 -2.270 -8.995 1.00 0.52 O ATOM 485 CB VAL A 33 7.945 -2.715 -9.321 1.00 0.50 C ATOM 486 CG1 VAL A 33 9.403 -2.210 -9.380 1.00 0.51 C ATOM 487 CG2 VAL A 33 7.993 -4.258 -9.322 1.00 0.52 C ATOM 0 H VAL A 33 7.982 -3.476 -6.714 1.00 0.52 H new ATOM 0 HA VAL A 33 7.145 -1.044 -8.177 1.00 0.50 H new ATOM 0 HB VAL A 33 7.386 -2.368 -10.190 1.00 0.50 H new ATOM 0 HG11 VAL A 33 9.904 -2.645 -10.245 1.00 0.51 H new ATOM 0 HG12 VAL A 33 9.408 -1.123 -9.466 1.00 0.51 H new ATOM 0 HG13 VAL A 33 9.927 -2.504 -8.471 1.00 0.51 H new ATOM 0 HG21 VAL A 33 8.547 -4.604 -10.195 1.00 0.52 H new ATOM 0 HG22 VAL A 33 8.488 -4.607 -8.416 1.00 0.52 H new ATOM 0 HG23 VAL A 33 6.978 -4.654 -9.356 1.00 0.52 H new ATOM 497 N GLY A 34 5.371 -3.554 -7.201 1.00 0.51 N ATOM 498 CA GLY A 34 4.082 -4.243 -7.121 1.00 0.54 C ATOM 499 C GLY A 34 3.762 -4.794 -5.737 1.00 0.53 C ATOM 500 O GLY A 34 4.518 -4.627 -4.778 1.00 0.54 O ATOM 0 H GLY A 34 6.011 -3.837 -6.459 1.00 0.51 H new ATOM 0 HA2 GLY A 34 3.293 -3.552 -7.418 1.00 0.54 H new ATOM 0 HA3 GLY A 34 4.074 -5.063 -7.839 1.00 0.54 H new ATOM 504 N ALA A 35 2.649 -5.519 -5.671 1.00 0.56 N ATOM 505 CA ALA A 35 2.167 -6.238 -4.498 1.00 0.56 C ATOM 506 C ALA A 35 1.372 -7.500 -4.894 1.00 0.63 C ATOM 507 O ALA A 35 1.250 -7.822 -6.077 1.00 0.73 O ATOM 508 CB ALA A 35 1.362 -5.259 -3.633 1.00 0.49 C ATOM 0 H ALA A 35 2.029 -5.626 -6.474 1.00 0.56 H new ATOM 0 HA ALA A 35 3.006 -6.609 -3.909 1.00 0.56 H new ATOM 0 HB1 ALA A 35 0.991 -5.776 -2.748 1.00 0.49 H new ATOM 0 HB2 ALA A 35 2.003 -4.432 -3.328 1.00 0.49 H new ATOM 0 HB3 ALA A 35 0.520 -4.873 -4.208 1.00 0.49 H new ATOM 514 N ARG A 36 0.815 -8.202 -3.905 1.00 0.65 N ATOM 515 CA ARG A 36 -0.231 -9.224 -4.053 1.00 0.65 C ATOM 516 C ARG A 36 -1.036 -9.307 -2.752 1.00 0.68 C ATOM 517 O ARG A 36 -0.584 -8.805 -1.729 1.00 0.78 O ATOM 518 CB ARG A 36 0.402 -10.590 -4.366 1.00 0.91 C ATOM 519 CG ARG A 36 -0.054 -11.232 -5.678 1.00 1.10 C ATOM 520 CD ARG A 36 0.280 -12.737 -5.680 1.00 1.66 C ATOM 521 NE ARG A 36 1.635 -13.022 -5.168 1.00 3.28 N ATOM 522 CZ ARG A 36 2.782 -12.988 -5.823 1.00 4.30 C ATOM 523 NH1 ARG A 36 2.851 -12.746 -7.119 1.00 4.32 N ATOM 524 NH2 ARG A 36 3.880 -13.185 -5.135 1.00 6.30 N ATOM 0 H ARG A 36 1.092 -8.069 -2.932 1.00 0.65 H new ATOM 0 HA ARG A 36 -0.891 -8.951 -4.877 1.00 0.65 H new ATOM 0 HB2 ARG A 36 1.485 -10.473 -4.394 1.00 0.91 H new ATOM 0 HB3 ARG A 36 0.176 -11.274 -3.548 1.00 0.91 H new ATOM 0 HG2 ARG A 36 -1.127 -11.090 -5.807 1.00 1.10 H new ATOM 0 HG3 ARG A 36 0.435 -10.743 -6.520 1.00 1.10 H new ATOM 0 HD2 ARG A 36 -0.452 -13.268 -5.072 1.00 1.66 H new ATOM 0 HD3 ARG A 36 0.191 -13.123 -6.696 1.00 1.66 H new ATOM 0 HE ARG A 36 1.693 -13.278 -4.182 1.00 3.28 H new ATOM 0 HH11 ARG A 36 1.998 -12.576 -7.652 1.00 4.32 H new ATOM 0 HH12 ARG A 36 3.757 -12.729 -7.587 1.00 4.32 H new ATOM 0 HH21 ARG A 36 3.829 -13.357 -4.131 1.00 6.30 H new ATOM 0 HH22 ARG A 36 4.786 -13.167 -5.604 1.00 6.30 H new ATOM 538 N THR A 37 -2.173 -10.010 -2.752 1.00 0.67 N ATOM 539 CA THR A 37 -3.032 -10.271 -1.581 1.00 0.73 C ATOM 540 C THR A 37 -4.014 -11.391 -1.942 1.00 0.70 C ATOM 541 O THR A 37 -4.387 -11.477 -3.111 1.00 0.64 O ATOM 542 CB THR A 37 -3.709 -8.973 -1.082 1.00 0.74 C ATOM 543 OG1 THR A 37 -4.676 -9.261 -0.104 1.00 0.84 O ATOM 544 CG2 THR A 37 -4.413 -8.178 -2.185 1.00 0.65 C ATOM 0 H THR A 37 -2.541 -10.434 -3.604 1.00 0.67 H new ATOM 0 HA THR A 37 -2.437 -10.613 -0.734 1.00 0.73 H new ATOM 0 HB THR A 37 -2.893 -8.370 -0.683 1.00 0.74 H new ATOM 0 HG1 THR A 37 -5.092 -8.427 0.200 1.00 0.84 H new ATOM 0 HG21 THR A 37 -4.863 -7.282 -1.757 1.00 0.65 H new ATOM 0 HG22 THR A 37 -3.688 -7.891 -2.946 1.00 0.65 H new ATOM 0 HG23 THR A 37 -5.190 -8.794 -2.638 1.00 0.65 H new ATOM 552 N PRO A 38 -4.448 -12.256 -1.003 1.00 0.75 N ATOM 553 CA PRO A 38 -5.392 -13.330 -1.299 1.00 0.68 C ATOM 554 C PRO A 38 -6.830 -12.837 -1.481 1.00 0.60 C ATOM 555 O PRO A 38 -7.726 -13.645 -1.707 1.00 0.77 O ATOM 556 CB PRO A 38 -5.276 -14.283 -0.118 1.00 0.79 C ATOM 557 CG PRO A 38 -4.901 -13.391 1.057 1.00 0.91 C ATOM 558 CD PRO A 38 -4.053 -12.307 0.401 1.00 0.96 C ATOM 0 HA PRO A 38 -5.153 -13.807 -2.249 1.00 0.68 H new ATOM 0 HB2 PRO A 38 -6.215 -14.805 0.064 1.00 0.79 H new ATOM 0 HB3 PRO A 38 -4.517 -15.045 -0.296 1.00 0.79 H new ATOM 0 HG2 PRO A 38 -5.782 -12.975 1.546 1.00 0.91 H new ATOM 0 HG3 PRO A 38 -4.342 -13.937 1.817 1.00 0.91 H new ATOM 0 HD2 PRO A 38 -4.216 -11.343 0.884 1.00 0.96 H new ATOM 0 HD3 PRO A 38 -2.992 -12.536 0.496 1.00 0.96 H new ATOM 566 N VAL A 39 -7.049 -11.527 -1.348 1.00 0.53 N ATOM 567 CA VAL A 39 -8.362 -10.860 -1.446 1.00 0.56 C ATOM 568 C VAL A 39 -8.354 -9.606 -2.346 1.00 0.54 C ATOM 569 O VAL A 39 -8.988 -8.606 -2.026 1.00 0.66 O ATOM 570 CB VAL A 39 -8.957 -10.564 -0.044 1.00 0.70 C ATOM 571 CG1 VAL A 39 -9.185 -11.863 0.750 1.00 0.77 C ATOM 572 CG2 VAL A 39 -8.064 -9.636 0.791 1.00 0.79 C ATOM 0 H VAL A 39 -6.291 -10.871 -1.162 1.00 0.53 H new ATOM 0 HA VAL A 39 -9.021 -11.571 -1.945 1.00 0.56 H new ATOM 0 HB VAL A 39 -9.908 -10.064 -0.226 1.00 0.70 H new ATOM 0 HG11 VAL A 39 -9.602 -11.623 1.728 1.00 0.77 H new ATOM 0 HG12 VAL A 39 -9.879 -12.505 0.207 1.00 0.77 H new ATOM 0 HG13 VAL A 39 -8.235 -12.382 0.878 1.00 0.77 H new ATOM 0 HG21 VAL A 39 -8.528 -9.462 1.762 1.00 0.79 H new ATOM 0 HG22 VAL A 39 -7.088 -10.101 0.933 1.00 0.79 H new ATOM 0 HG23 VAL A 39 -7.941 -8.685 0.272 1.00 0.79 H new ATOM 582 N ALA A 40 -7.702 -9.670 -3.515 1.00 0.49 N ATOM 583 CA ALA A 40 -7.922 -8.745 -4.643 1.00 0.51 C ATOM 584 C ALA A 40 -7.345 -9.337 -5.944 1.00 0.65 C ATOM 585 O ALA A 40 -6.240 -9.874 -5.921 1.00 1.21 O ATOM 586 CB ALA A 40 -7.282 -7.381 -4.341 1.00 0.76 C ATOM 0 H ALA A 40 -6.994 -10.378 -3.710 1.00 0.49 H new ATOM 0 HA ALA A 40 -8.995 -8.604 -4.777 1.00 0.51 H new ATOM 0 HB1 ALA A 40 -7.451 -6.706 -5.180 1.00 0.76 H new ATOM 0 HB2 ALA A 40 -7.730 -6.960 -3.441 1.00 0.76 H new ATOM 0 HB3 ALA A 40 -6.210 -7.508 -4.187 1.00 0.76 H new ATOM 592 N GLU A 41 -8.083 -9.266 -7.056 1.00 0.53 N ATOM 593 CA GLU A 41 -7.620 -9.681 -8.395 1.00 0.66 C ATOM 594 C GLU A 41 -6.809 -8.590 -9.123 1.00 0.60 C ATOM 595 O GLU A 41 -5.942 -8.883 -9.946 1.00 0.84 O ATOM 596 CB GLU A 41 -8.833 -10.087 -9.255 1.00 0.92 C ATOM 597 CG GLU A 41 -8.502 -11.217 -10.240 1.00 1.33 C ATOM 598 CD GLU A 41 -8.366 -12.538 -9.488 1.00 2.51 C ATOM 599 OE1 GLU A 41 -7.250 -12.874 -9.033 1.00 3.72 O ATOM 600 OE2 GLU A 41 -9.404 -13.157 -9.171 1.00 3.20 O ATOM 0 H GLU A 41 -9.040 -8.912 -7.056 1.00 0.53 H new ATOM 0 HA GLU A 41 -6.949 -10.528 -8.251 1.00 0.66 H new ATOM 0 HB2 GLU A 41 -9.647 -10.404 -8.603 1.00 0.92 H new ATOM 0 HB3 GLU A 41 -9.189 -9.218 -9.809 1.00 0.92 H new ATOM 0 HG2 GLU A 41 -9.286 -11.296 -10.993 1.00 1.33 H new ATOM 0 HG3 GLU A 41 -7.575 -10.992 -10.767 1.00 1.33 H new ATOM 607 N ARG A 42 -7.053 -7.315 -8.792 1.00 0.56 N ATOM 608 CA ARG A 42 -6.127 -6.215 -9.059 1.00 0.63 C ATOM 609 C ARG A 42 -5.532 -5.766 -7.732 1.00 0.64 C ATOM 610 O ARG A 42 -6.270 -5.478 -6.792 1.00 0.78 O ATOM 611 CB ARG A 42 -6.795 -4.989 -9.710 1.00 1.01 C ATOM 612 CG ARG A 42 -7.824 -5.287 -10.806 1.00 1.57 C ATOM 613 CD ARG A 42 -8.227 -3.986 -11.518 1.00 2.13 C ATOM 614 NE ARG A 42 -7.413 -3.776 -12.730 1.00 2.71 N ATOM 615 CZ ARG A 42 -7.015 -2.616 -13.245 1.00 3.83 C ATOM 616 NH1 ARG A 42 -7.174 -1.458 -12.645 1.00 4.51 N ATOM 617 NH2 ARG A 42 -6.421 -2.610 -14.417 1.00 4.80 N ATOM 0 H ARG A 42 -7.910 -7.019 -8.326 1.00 0.56 H new ATOM 0 HA ARG A 42 -5.379 -6.590 -9.758 1.00 0.63 H new ATOM 0 HB2 ARG A 42 -7.285 -4.409 -8.928 1.00 1.01 H new ATOM 0 HB3 ARG A 42 -6.014 -4.357 -10.134 1.00 1.01 H new ATOM 0 HG2 ARG A 42 -7.407 -5.991 -11.526 1.00 1.57 H new ATOM 0 HG3 ARG A 42 -8.704 -5.760 -10.371 1.00 1.57 H new ATOM 0 HD2 ARG A 42 -9.283 -4.025 -11.786 1.00 2.13 H new ATOM 0 HD3 ARG A 42 -8.102 -3.142 -10.840 1.00 2.13 H new ATOM 0 HE ARG A 42 -7.122 -4.616 -13.230 1.00 2.71 H new ATOM 0 HH11 ARG A 42 -7.625 -1.415 -11.731 1.00 4.51 H new ATOM 0 HH12 ARG A 42 -6.846 -0.602 -13.093 1.00 4.51 H new ATOM 0 HH21 ARG A 42 -6.271 -3.486 -14.917 1.00 4.80 H new ATOM 0 HH22 ARG A 42 -6.110 -1.729 -14.826 1.00 4.80 H new ATOM 631 N VAL A 43 -4.216 -5.617 -7.705 1.00 0.75 N ATOM 632 CA VAL A 43 -3.551 -4.655 -6.822 1.00 0.67 C ATOM 633 C VAL A 43 -2.847 -3.613 -7.691 1.00 0.77 C ATOM 634 O VAL A 43 -2.316 -3.943 -8.753 1.00 1.14 O ATOM 635 CB VAL A 43 -2.597 -5.334 -5.825 1.00 0.72 C ATOM 636 CG1 VAL A 43 -1.320 -5.888 -6.472 1.00 0.92 C ATOM 637 CG2 VAL A 43 -2.228 -4.397 -4.665 1.00 0.69 C ATOM 0 H VAL A 43 -3.576 -6.155 -8.290 1.00 0.75 H new ATOM 0 HA VAL A 43 -4.297 -4.160 -6.200 1.00 0.67 H new ATOM 0 HB VAL A 43 -3.155 -6.186 -5.437 1.00 0.72 H new ATOM 0 HG11 VAL A 43 -0.697 -6.352 -5.708 1.00 0.92 H new ATOM 0 HG12 VAL A 43 -1.586 -6.631 -7.224 1.00 0.92 H new ATOM 0 HG13 VAL A 43 -0.769 -5.075 -6.945 1.00 0.92 H new ATOM 0 HG21 VAL A 43 -1.553 -4.912 -3.982 1.00 0.69 H new ATOM 0 HG22 VAL A 43 -1.737 -3.507 -5.058 1.00 0.69 H new ATOM 0 HG23 VAL A 43 -3.132 -4.106 -4.131 1.00 0.69 H new ATOM 647 N GLU A 44 -2.890 -2.361 -7.250 1.00 0.60 N ATOM 648 CA GLU A 44 -2.309 -1.190 -7.905 1.00 0.59 C ATOM 649 C GLU A 44 -1.532 -0.389 -6.863 1.00 0.61 C ATOM 650 O GLU A 44 -1.883 -0.421 -5.687 1.00 0.84 O ATOM 651 CB GLU A 44 -3.417 -0.283 -8.461 1.00 0.69 C ATOM 652 CG GLU A 44 -4.257 -0.928 -9.569 1.00 1.30 C ATOM 653 CD GLU A 44 -5.530 -0.129 -9.850 1.00 1.97 C ATOM 654 OE1 GLU A 44 -5.445 1.120 -9.829 1.00 2.69 O ATOM 655 OE2 GLU A 44 -6.575 -0.770 -10.115 1.00 2.92 O ATOM 0 H GLU A 44 -3.357 -2.120 -6.376 1.00 0.60 H new ATOM 0 HA GLU A 44 -1.664 -1.522 -8.718 1.00 0.59 H new ATOM 0 HB2 GLU A 44 -4.076 0.010 -7.644 1.00 0.69 H new ATOM 0 HB3 GLU A 44 -2.964 0.630 -8.848 1.00 0.69 H new ATOM 0 HG2 GLU A 44 -3.664 -1.000 -10.481 1.00 1.30 H new ATOM 0 HG3 GLU A 44 -4.522 -1.945 -9.280 1.00 1.30 H new ATOM 662 N LEU A 45 -0.519 0.365 -7.286 1.00 0.55 N ATOM 663 CA LEU A 45 0.262 1.242 -6.409 1.00 0.56 C ATOM 664 C LEU A 45 -0.048 2.713 -6.719 1.00 0.48 C ATOM 665 O LEU A 45 0.149 3.178 -7.846 1.00 0.51 O ATOM 666 CB LEU A 45 1.749 0.903 -6.594 1.00 0.84 C ATOM 667 CG LEU A 45 2.682 1.717 -5.677 1.00 0.63 C ATOM 668 CD1 LEU A 45 2.667 1.263 -4.214 1.00 1.02 C ATOM 669 CD2 LEU A 45 4.107 1.562 -6.198 1.00 1.18 C ATOM 0 H LEU A 45 -0.212 0.386 -8.259 1.00 0.55 H new ATOM 0 HA LEU A 45 -0.003 1.084 -5.364 1.00 0.56 H new ATOM 0 HB2 LEU A 45 1.898 -0.159 -6.401 1.00 0.84 H new ATOM 0 HB3 LEU A 45 2.028 1.080 -7.633 1.00 0.84 H new ATOM 0 HG LEU A 45 2.327 2.747 -5.697 1.00 0.63 H new ATOM 0 HD11 LEU A 45 3.349 1.884 -3.633 1.00 1.02 H new ATOM 0 HD12 LEU A 45 1.658 1.359 -3.813 1.00 1.02 H new ATOM 0 HD13 LEU A 45 2.984 0.222 -4.153 1.00 1.02 H new ATOM 0 HD21 LEU A 45 4.789 2.130 -5.565 1.00 1.18 H new ATOM 0 HD22 LEU A 45 4.388 0.509 -6.181 1.00 1.18 H new ATOM 0 HD23 LEU A 45 4.163 1.936 -7.220 1.00 1.18 H new ATOM 681 N HIS A 46 -0.542 3.442 -5.719 1.00 0.44 N ATOM 682 CA HIS A 46 -0.950 4.843 -5.829 1.00 0.45 C ATOM 683 C HIS A 46 -0.192 5.764 -4.850 1.00 0.43 C ATOM 684 O HIS A 46 0.308 5.346 -3.800 1.00 0.46 O ATOM 685 CB HIS A 46 -2.459 4.965 -5.538 1.00 0.48 C ATOM 686 CG HIS A 46 -3.441 4.360 -6.510 1.00 0.51 C ATOM 687 ND1 HIS A 46 -4.809 4.322 -6.300 1.00 0.54 N ATOM 688 CD2 HIS A 46 -3.191 3.743 -7.702 1.00 0.55 C ATOM 689 CE1 HIS A 46 -5.354 3.685 -7.339 1.00 0.59 C ATOM 690 NE2 HIS A 46 -4.402 3.301 -8.205 1.00 0.62 N ATOM 0 H HIS A 46 -0.674 3.063 -4.781 1.00 0.44 H new ATOM 0 HA HIS A 46 -0.714 5.161 -6.844 1.00 0.45 H new ATOM 0 HB2 HIS A 46 -2.643 4.517 -4.562 1.00 0.48 H new ATOM 0 HB3 HIS A 46 -2.693 6.026 -5.451 1.00 0.48 H new ATOM 0 HD2 HIS A 46 -2.224 3.622 -8.168 1.00 0.55 H new ATOM 0 HE1 HIS A 46 -6.411 3.504 -7.465 1.00 0.59 H new ATOM 0 HE2 HIS A 46 -4.545 2.781 -9.071 1.00 0.62 H new ATOM 698 N GLU A 47 -0.225 7.060 -5.152 1.00 0.41 N ATOM 699 CA GLU A 47 0.071 8.129 -4.195 1.00 0.42 C ATOM 700 C GLU A 47 -1.089 9.144 -4.128 1.00 0.72 C ATOM 701 O GLU A 47 -1.941 9.170 -5.028 1.00 1.21 O ATOM 702 CB GLU A 47 1.478 8.691 -4.448 1.00 0.81 C ATOM 703 CG GLU A 47 1.610 9.949 -5.308 1.00 1.33 C ATOM 704 CD GLU A 47 1.488 11.255 -4.527 1.00 2.05 C ATOM 705 OE1 GLU A 47 1.717 11.262 -3.300 1.00 3.55 O ATOM 706 OE2 GLU A 47 1.202 12.266 -5.203 1.00 2.27 O ATOM 0 H GLU A 47 -0.462 7.405 -6.082 1.00 0.41 H new ATOM 0 HA GLU A 47 0.121 7.743 -3.177 1.00 0.42 H new ATOM 0 HB2 GLU A 47 1.932 8.901 -3.479 1.00 0.81 H new ATOM 0 HB3 GLU A 47 2.072 7.905 -4.915 1.00 0.81 H new ATOM 0 HG2 GLU A 47 2.575 9.930 -5.814 1.00 1.33 H new ATOM 0 HG3 GLU A 47 0.843 9.929 -6.082 1.00 1.33 H new ATOM 713 N THR A 48 -1.147 9.928 -3.044 1.00 0.66 N ATOM 714 CA THR A 48 -2.214 10.895 -2.731 1.00 0.76 C ATOM 715 C THR A 48 -1.536 12.200 -2.331 1.00 0.65 C ATOM 716 O THR A 48 -0.738 12.217 -1.395 1.00 0.71 O ATOM 717 CB THR A 48 -3.114 10.397 -1.593 1.00 0.98 C ATOM 718 OG1 THR A 48 -3.858 9.290 -2.036 1.00 1.19 O ATOM 719 CG2 THR A 48 -4.151 11.401 -1.079 1.00 1.10 C ATOM 0 H THR A 48 -0.421 9.907 -2.328 1.00 0.66 H new ATOM 0 HA THR A 48 -2.855 11.032 -3.602 1.00 0.76 H new ATOM 0 HB THR A 48 -2.418 10.181 -0.782 1.00 0.98 H new ATOM 0 HG1 THR A 48 -4.432 8.970 -1.309 1.00 1.19 H new ATOM 0 HG21 THR A 48 -4.732 10.946 -0.277 1.00 1.10 H new ATOM 0 HG22 THR A 48 -3.642 12.288 -0.701 1.00 1.10 H new ATOM 0 HG23 THR A 48 -4.817 11.685 -1.893 1.00 1.10 H new ATOM 727 N PHE A 49 -1.882 13.279 -3.034 1.00 0.94 N ATOM 728 CA PHE A 49 -1.286 14.606 -2.922 1.00 0.88 C ATOM 729 C PHE A 49 -2.267 15.645 -2.372 1.00 0.74 C ATOM 730 O PHE A 49 -3.479 15.445 -2.325 1.00 0.73 O ATOM 731 CB PHE A 49 -0.798 15.042 -4.313 1.00 0.97 C ATOM 732 CG PHE A 49 -1.863 15.046 -5.404 1.00 0.91 C ATOM 733 CD1 PHE A 49 -2.748 16.134 -5.512 1.00 2.12 C ATOM 734 CD2 PHE A 49 -1.990 13.961 -6.294 1.00 1.94 C ATOM 735 CE1 PHE A 49 -3.739 16.152 -6.504 1.00 2.17 C ATOM 736 CE2 PHE A 49 -2.969 13.991 -7.308 1.00 1.91 C ATOM 737 CZ PHE A 49 -3.830 15.097 -7.423 1.00 0.96 C ATOM 0 H PHE A 49 -2.624 13.247 -3.733 1.00 0.94 H new ATOM 0 HA PHE A 49 -0.457 14.546 -2.217 1.00 0.88 H new ATOM 0 HB2 PHE A 49 -0.377 16.045 -4.235 1.00 0.97 H new ATOM 0 HB3 PHE A 49 0.011 14.380 -4.620 1.00 0.97 H new ATOM 0 HD1 PHE A 49 -2.664 16.963 -4.825 1.00 2.12 H new ATOM 0 HD2 PHE A 49 -1.337 13.106 -6.199 1.00 1.94 H new ATOM 0 HE1 PHE A 49 -4.432 16.978 -6.560 1.00 2.17 H new ATOM 0 HE2 PHE A 49 -3.058 13.164 -7.997 1.00 1.91 H new ATOM 0 HZ PHE A 49 -4.560 15.134 -8.218 1.00 0.96 H new ATOM 747 N MET A 50 -1.740 16.832 -2.059 1.00 0.75 N ATOM 748 CA MET A 50 -2.516 18.048 -1.831 1.00 0.74 C ATOM 749 C MET A 50 -2.498 18.936 -3.088 1.00 0.72 C ATOM 750 O MET A 50 -1.477 19.054 -3.764 1.00 0.75 O ATOM 751 CB MET A 50 -1.953 18.766 -0.595 1.00 0.87 C ATOM 752 CG MET A 50 -2.753 20.036 -0.308 1.00 2.01 C ATOM 753 SD MET A 50 -2.493 20.796 1.315 1.00 2.30 S ATOM 754 CE MET A 50 -0.749 21.265 1.171 1.00 3.11 C ATOM 0 H MET A 50 -0.735 16.974 -1.955 1.00 0.75 H new ATOM 0 HA MET A 50 -3.561 17.805 -1.638 1.00 0.74 H new ATOM 0 HB2 MET A 50 -1.991 18.102 0.268 1.00 0.87 H new ATOM 0 HB3 MET A 50 -0.905 19.017 -0.758 1.00 0.87 H new ATOM 0 HG2 MET A 50 -2.512 20.773 -1.074 1.00 2.01 H new ATOM 0 HG3 MET A 50 -3.813 19.804 -0.412 1.00 2.01 H new ATOM 0 HE1 MET A 50 -0.425 21.750 2.092 1.00 3.11 H new ATOM 0 HE2 MET A 50 -0.146 20.374 0.999 1.00 3.11 H new ATOM 0 HE3 MET A 50 -0.625 21.954 0.336 1.00 3.11 H new ATOM 764 N ARG A 51 -3.630 19.572 -3.390 1.00 0.74 N ATOM 765 CA ARG A 51 -3.801 20.606 -4.416 1.00 0.71 C ATOM 766 C ARG A 51 -4.599 21.787 -3.847 1.00 0.72 C ATOM 767 O ARG A 51 -5.339 21.651 -2.868 1.00 0.82 O ATOM 768 CB ARG A 51 -4.530 20.035 -5.659 1.00 0.91 C ATOM 769 CG ARG A 51 -3.571 19.699 -6.814 1.00 1.18 C ATOM 770 CD ARG A 51 -4.332 19.492 -8.130 1.00 1.71 C ATOM 771 NE ARG A 51 -3.399 19.264 -9.252 1.00 2.80 N ATOM 772 CZ ARG A 51 -3.723 19.097 -10.531 1.00 3.75 C ATOM 773 NH1 ARG A 51 -4.975 19.116 -10.939 1.00 4.09 N ATOM 774 NH2 ARG A 51 -2.776 18.919 -11.428 1.00 4.88 N ATOM 0 H ARG A 51 -4.501 19.370 -2.900 1.00 0.74 H new ATOM 0 HA ARG A 51 -2.812 20.950 -4.720 1.00 0.71 H new ATOM 0 HB2 ARG A 51 -5.075 19.136 -5.373 1.00 0.91 H new ATOM 0 HB3 ARG A 51 -5.268 20.758 -6.005 1.00 0.91 H new ATOM 0 HG2 ARG A 51 -2.846 20.504 -6.934 1.00 1.18 H new ATOM 0 HG3 ARG A 51 -3.008 18.798 -6.571 1.00 1.18 H new ATOM 0 HD2 ARG A 51 -5.006 18.641 -8.034 1.00 1.71 H new ATOM 0 HD3 ARG A 51 -4.950 20.366 -8.338 1.00 1.71 H new ATOM 0 HE ARG A 51 -2.406 19.231 -9.023 1.00 2.80 H new ATOM 0 HH11 ARG A 51 -5.728 19.262 -10.267 1.00 4.09 H new ATOM 0 HH12 ARG A 51 -5.191 18.985 -11.927 1.00 4.09 H new ATOM 0 HH21 ARG A 51 -1.797 18.909 -11.141 1.00 4.88 H new ATOM 0 HH22 ARG A 51 -3.021 18.791 -12.410 1.00 4.88 H new ATOM 788 N GLU A 52 -4.499 22.932 -4.507 1.00 0.84 N ATOM 789 CA GLU A 52 -5.501 23.977 -4.492 1.00 0.95 C ATOM 790 C GLU A 52 -6.495 23.737 -5.638 1.00 1.09 C ATOM 791 O GLU A 52 -6.082 23.286 -6.707 1.00 1.23 O ATOM 792 CB GLU A 52 -4.731 25.274 -4.750 1.00 1.17 C ATOM 793 CG GLU A 52 -5.575 26.527 -4.597 1.00 1.45 C ATOM 794 CD GLU A 52 -5.665 26.943 -3.140 1.00 1.55 C ATOM 795 OE1 GLU A 52 -6.096 26.137 -2.292 1.00 2.30 O ATOM 796 OE2 GLU A 52 -5.299 28.086 -2.812 1.00 2.42 O ATOM 0 H GLU A 52 -3.691 23.162 -5.085 1.00 0.84 H new ATOM 0 HA GLU A 52 -6.056 24.008 -3.555 1.00 0.95 H new ATOM 0 HB2 GLU A 52 -3.888 25.328 -4.061 1.00 1.17 H new ATOM 0 HB3 GLU A 52 -4.318 25.246 -5.758 1.00 1.17 H new ATOM 0 HG2 GLU A 52 -5.142 27.336 -5.185 1.00 1.45 H new ATOM 0 HG3 GLU A 52 -6.575 26.347 -4.991 1.00 1.45 H new ATOM 803 N VAL A 53 -7.761 24.109 -5.454 1.00 1.17 N ATOM 804 CA VAL A 53 -8.648 24.565 -6.537 1.00 1.28 C ATOM 805 C VAL A 53 -9.372 25.821 -6.048 1.00 1.39 C ATOM 806 O VAL A 53 -9.746 25.860 -4.887 1.00 1.69 O ATOM 807 CB VAL A 53 -9.677 23.491 -6.968 1.00 1.43 C ATOM 808 CG1 VAL A 53 -8.993 22.325 -7.703 1.00 1.87 C ATOM 809 CG2 VAL A 53 -10.531 22.934 -5.814 1.00 2.98 C ATOM 0 H VAL A 53 -8.211 24.104 -4.538 1.00 1.17 H new ATOM 0 HA VAL A 53 -8.041 24.772 -7.418 1.00 1.28 H new ATOM 0 HB VAL A 53 -10.356 24.013 -7.642 1.00 1.43 H new ATOM 0 HG11 VAL A 53 -9.742 21.588 -7.992 1.00 1.87 H new ATOM 0 HG12 VAL A 53 -8.491 22.701 -8.594 1.00 1.87 H new ATOM 0 HG13 VAL A 53 -8.261 21.859 -7.044 1.00 1.87 H new ATOM 0 HG21 VAL A 53 -11.225 22.188 -6.202 1.00 2.98 H new ATOM 0 HG22 VAL A 53 -9.881 22.473 -5.070 1.00 2.98 H new ATOM 0 HG23 VAL A 53 -11.092 23.746 -5.352 1.00 2.98 H new ATOM 819 N GLU A 54 -9.522 26.862 -6.873 1.00 1.50 N ATOM 820 CA GLU A 54 -10.346 28.065 -6.591 1.00 1.67 C ATOM 821 C GLU A 54 -9.913 28.912 -5.363 1.00 1.66 C ATOM 822 O GLU A 54 -10.648 29.798 -4.933 1.00 1.77 O ATOM 823 CB GLU A 54 -11.833 27.684 -6.429 1.00 1.80 C ATOM 824 CG GLU A 54 -12.492 26.851 -7.542 1.00 2.08 C ATOM 825 CD GLU A 54 -13.781 26.214 -7.011 1.00 2.41 C ATOM 826 OE1 GLU A 54 -14.639 26.927 -6.448 1.00 2.86 O ATOM 827 OE2 GLU A 54 -13.875 24.970 -6.968 1.00 3.14 O ATOM 0 H GLU A 54 -9.065 26.902 -7.784 1.00 1.50 H new ATOM 0 HA GLU A 54 -10.185 28.698 -7.464 1.00 1.67 H new ATOM 0 HB2 GLU A 54 -11.936 27.133 -5.494 1.00 1.80 H new ATOM 0 HB3 GLU A 54 -12.404 28.606 -6.320 1.00 1.80 H new ATOM 0 HG2 GLU A 54 -12.714 27.484 -8.401 1.00 2.08 H new ATOM 0 HG3 GLU A 54 -11.806 26.077 -7.885 1.00 2.08 H new ATOM 834 N GLY A 55 -8.746 28.634 -4.776 1.00 1.61 N ATOM 835 CA GLY A 55 -8.285 29.223 -3.501 1.00 1.64 C ATOM 836 C GLY A 55 -8.555 28.368 -2.248 1.00 1.50 C ATOM 837 O GLY A 55 -8.283 28.804 -1.126 1.00 1.59 O ATOM 0 H GLY A 55 -8.075 27.979 -5.177 1.00 1.61 H new ATOM 0 HA2 GLY A 55 -7.213 29.408 -3.571 1.00 1.64 H new ATOM 0 HA3 GLY A 55 -8.768 30.192 -3.371 1.00 1.64 H new ATOM 841 N LYS A 56 -9.058 27.140 -2.415 1.00 1.42 N ATOM 842 CA LYS A 56 -9.390 26.168 -1.376 1.00 1.40 C ATOM 843 C LYS A 56 -8.608 24.860 -1.589 1.00 1.16 C ATOM 844 O LYS A 56 -8.505 24.291 -2.683 1.00 1.06 O ATOM 845 CB LYS A 56 -10.912 25.937 -1.226 1.00 1.75 C ATOM 846 CG LYS A 56 -11.594 25.678 -2.563 1.00 2.09 C ATOM 847 CD LYS A 56 -13.096 25.367 -2.541 1.00 2.47 C ATOM 848 CE LYS A 56 -13.487 25.431 -4.021 1.00 2.84 C ATOM 849 NZ LYS A 56 -14.888 25.111 -4.365 1.00 3.21 N ATOM 0 H LYS A 56 -9.257 26.777 -3.347 1.00 1.42 H new ATOM 0 HA LYS A 56 -9.075 26.591 -0.422 1.00 1.40 H new ATOM 0 HB2 LYS A 56 -11.085 25.089 -0.563 1.00 1.75 H new ATOM 0 HB3 LYS A 56 -11.364 26.809 -0.753 1.00 1.75 H new ATOM 0 HG2 LYS A 56 -11.440 26.553 -3.194 1.00 2.09 H new ATOM 0 HG3 LYS A 56 -11.084 24.844 -3.045 1.00 2.09 H new ATOM 0 HD2 LYS A 56 -13.298 24.385 -2.113 1.00 2.47 H new ATOM 0 HD3 LYS A 56 -13.649 26.094 -1.946 1.00 2.47 H new ATOM 0 HE2 LYS A 56 -13.271 26.436 -4.384 1.00 2.84 H new ATOM 0 HE3 LYS A 56 -12.840 24.748 -4.571 1.00 2.84 H new ATOM 0 HZ1 LYS A 56 -15.248 25.813 -5.042 1.00 3.21 H new ATOM 0 HZ2 LYS A 56 -14.933 24.164 -4.792 1.00 3.21 H new ATOM 0 HZ3 LYS A 56 -15.470 25.130 -3.503 1.00 3.21 H new ATOM 863 N LYS A 57 -8.061 24.390 -0.477 1.00 1.17 N ATOM 864 CA LYS A 57 -7.208 23.223 -0.335 1.00 1.06 C ATOM 865 C LYS A 57 -8.056 21.949 -0.485 1.00 0.94 C ATOM 866 O LYS A 57 -9.103 21.822 0.140 1.00 1.08 O ATOM 867 CB LYS A 57 -6.485 23.251 1.037 1.00 1.32 C ATOM 868 CG LYS A 57 -6.202 24.617 1.702 1.00 1.61 C ATOM 869 CD LYS A 57 -5.425 25.638 0.850 1.00 2.38 C ATOM 870 CE LYS A 57 -6.154 26.995 0.866 1.00 3.23 C ATOM 871 NZ LYS A 57 -5.657 27.927 -0.170 1.00 4.15 N ATOM 0 H LYS A 57 -8.216 24.853 0.419 1.00 1.17 H new ATOM 0 HA LYS A 57 -6.447 23.231 -1.115 1.00 1.06 H new ATOM 0 HB2 LYS A 57 -7.079 22.661 1.735 1.00 1.32 H new ATOM 0 HB3 LYS A 57 -5.531 22.738 0.918 1.00 1.32 H new ATOM 0 HG2 LYS A 57 -7.155 25.063 1.988 1.00 1.61 H new ATOM 0 HG3 LYS A 57 -5.643 24.442 2.621 1.00 1.61 H new ATOM 0 HD2 LYS A 57 -4.413 25.754 1.238 1.00 2.38 H new ATOM 0 HD3 LYS A 57 -5.334 25.276 -0.174 1.00 2.38 H new ATOM 0 HE2 LYS A 57 -7.221 26.830 0.718 1.00 3.23 H new ATOM 0 HE3 LYS A 57 -6.036 27.454 1.848 1.00 3.23 H new ATOM 0 HZ1 LYS A 57 -6.444 28.512 -0.517 1.00 4.15 H new ATOM 0 HZ2 LYS A 57 -4.923 28.541 0.238 1.00 4.15 H new ATOM 0 HZ3 LYS A 57 -5.254 27.384 -0.960 1.00 4.15 H new ATOM 885 N VAL A 58 -7.589 21.024 -1.307 1.00 0.83 N ATOM 886 CA VAL A 58 -8.173 19.717 -1.597 1.00 0.80 C ATOM 887 C VAL A 58 -7.067 18.661 -1.664 1.00 0.72 C ATOM 888 O VAL A 58 -5.889 19.008 -1.758 1.00 0.81 O ATOM 889 CB VAL A 58 -8.946 19.758 -2.931 1.00 0.86 C ATOM 890 CG1 VAL A 58 -10.263 20.543 -2.802 1.00 1.99 C ATOM 891 CG2 VAL A 58 -8.120 20.299 -4.114 1.00 2.15 C ATOM 0 H VAL A 58 -6.727 21.175 -1.830 1.00 0.83 H new ATOM 0 HA VAL A 58 -8.870 19.457 -0.800 1.00 0.80 H new ATOM 0 HB VAL A 58 -9.172 18.716 -3.157 1.00 0.86 H new ATOM 0 HG11 VAL A 58 -10.778 20.549 -3.762 1.00 1.99 H new ATOM 0 HG12 VAL A 58 -10.897 20.069 -2.053 1.00 1.99 H new ATOM 0 HG13 VAL A 58 -10.048 21.568 -2.499 1.00 1.99 H new ATOM 0 HG21 VAL A 58 -8.732 20.297 -5.016 1.00 2.15 H new ATOM 0 HG22 VAL A 58 -7.797 21.317 -3.897 1.00 2.15 H new ATOM 0 HG23 VAL A 58 -7.246 19.666 -4.267 1.00 2.15 H new ATOM 901 N MET A 59 -7.437 17.380 -1.643 1.00 0.69 N ATOM 902 CA MET A 59 -6.507 16.252 -1.747 1.00 0.63 C ATOM 903 C MET A 59 -6.966 15.266 -2.825 1.00 0.67 C ATOM 904 O MET A 59 -8.136 14.886 -2.868 1.00 1.16 O ATOM 905 CB MET A 59 -6.332 15.558 -0.386 1.00 0.71 C ATOM 906 CG MET A 59 -5.701 16.488 0.663 1.00 0.77 C ATOM 907 SD MET A 59 -6.851 17.566 1.561 1.00 2.29 S ATOM 908 CE MET A 59 -5.698 18.863 2.074 1.00 3.16 C ATOM 0 H MET A 59 -8.411 17.090 -1.551 1.00 0.69 H new ATOM 0 HA MET A 59 -5.533 16.639 -2.046 1.00 0.63 H new ATOM 0 HB2 MET A 59 -7.302 15.215 -0.028 1.00 0.71 H new ATOM 0 HB3 MET A 59 -5.706 14.674 -0.509 1.00 0.71 H new ATOM 0 HG2 MET A 59 -5.166 15.875 1.389 1.00 0.77 H new ATOM 0 HG3 MET A 59 -4.960 17.114 0.166 1.00 0.77 H new ATOM 0 HE1 MET A 59 -6.164 19.482 2.841 1.00 3.16 H new ATOM 0 HE2 MET A 59 -4.793 18.407 2.476 1.00 3.16 H new ATOM 0 HE3 MET A 59 -5.441 19.482 1.215 1.00 3.16 H new ATOM 918 N GLY A 60 -6.048 14.906 -3.723 1.00 0.61 N ATOM 919 CA GLY A 60 -6.277 14.028 -4.876 1.00 0.65 C ATOM 920 C GLY A 60 -5.353 12.815 -4.859 1.00 0.64 C ATOM 921 O GLY A 60 -4.480 12.711 -4.012 1.00 0.78 O ATOM 0 H GLY A 60 -5.083 15.231 -3.666 1.00 0.61 H new ATOM 0 HA2 GLY A 60 -7.315 13.694 -4.878 1.00 0.65 H new ATOM 0 HA3 GLY A 60 -6.122 14.590 -5.797 1.00 0.65 H new ATOM 925 N MET A 61 -5.534 11.895 -5.804 1.00 0.62 N ATOM 926 CA MET A 61 -4.847 10.596 -5.866 1.00 0.58 C ATOM 927 C MET A 61 -4.452 10.278 -7.313 1.00 0.56 C ATOM 928 O MET A 61 -5.041 10.822 -8.247 1.00 0.74 O ATOM 929 CB MET A 61 -5.781 9.554 -5.222 1.00 0.69 C ATOM 930 CG MET A 61 -5.453 8.068 -5.436 1.00 0.65 C ATOM 931 SD MET A 61 -6.771 6.877 -4.991 1.00 0.64 S ATOM 932 CE MET A 61 -7.454 7.608 -3.484 1.00 0.70 C ATOM 0 H MET A 61 -6.185 12.033 -6.577 1.00 0.62 H new ATOM 0 HA MET A 61 -3.909 10.597 -5.310 1.00 0.58 H new ATOM 0 HB2 MET A 61 -5.802 9.741 -4.148 1.00 0.69 H new ATOM 0 HB3 MET A 61 -6.789 9.732 -5.596 1.00 0.69 H new ATOM 0 HG2 MET A 61 -5.199 7.921 -6.486 1.00 0.65 H new ATOM 0 HG3 MET A 61 -4.563 7.827 -4.855 1.00 0.65 H new ATOM 0 HE1 MET A 61 -8.150 6.908 -3.023 1.00 0.70 H new ATOM 0 HE2 MET A 61 -6.645 7.827 -2.787 1.00 0.70 H new ATOM 0 HE3 MET A 61 -7.979 8.531 -3.733 1.00 0.70 H new ATOM 942 N ARG A 62 -3.445 9.423 -7.498 1.00 0.54 N ATOM 943 CA ARG A 62 -2.866 9.061 -8.797 1.00 0.54 C ATOM 944 C ARG A 62 -2.071 7.747 -8.695 1.00 0.51 C ATOM 945 O ARG A 62 -1.550 7.455 -7.617 1.00 0.50 O ATOM 946 CB ARG A 62 -1.993 10.220 -9.320 1.00 0.61 C ATOM 947 CG ARG A 62 -0.869 10.647 -8.356 1.00 2.04 C ATOM 948 CD ARG A 62 -0.111 11.858 -8.911 1.00 2.54 C ATOM 949 NE ARG A 62 0.823 12.413 -7.922 1.00 3.97 N ATOM 950 CZ ARG A 62 1.903 13.144 -8.146 1.00 5.20 C ATOM 951 NH1 ARG A 62 2.281 13.503 -9.355 1.00 5.23 N ATOM 952 NH2 ARG A 62 2.634 13.517 -7.124 1.00 6.59 N ATOM 0 H ARG A 62 -2.992 8.945 -6.719 1.00 0.54 H new ATOM 0 HA ARG A 62 -3.670 8.892 -9.513 1.00 0.54 H new ATOM 0 HB2 ARG A 62 -1.549 9.925 -10.271 1.00 0.61 H new ATOM 0 HB3 ARG A 62 -2.632 11.080 -9.520 1.00 0.61 H new ATOM 0 HG2 ARG A 62 -1.292 10.892 -7.382 1.00 2.04 H new ATOM 0 HG3 ARG A 62 -0.178 9.817 -8.204 1.00 2.04 H new ATOM 0 HD2 ARG A 62 0.438 11.565 -9.806 1.00 2.54 H new ATOM 0 HD3 ARG A 62 -0.823 12.627 -9.211 1.00 2.54 H new ATOM 0 HE ARG A 62 0.614 12.210 -6.945 1.00 3.97 H new ATOM 0 HH11 ARG A 62 1.733 13.217 -10.167 1.00 5.23 H new ATOM 0 HH12 ARG A 62 3.121 14.067 -9.480 1.00 5.23 H new ATOM 0 HH21 ARG A 62 2.366 13.243 -6.179 1.00 6.59 H new ATOM 0 HH22 ARG A 62 3.471 14.081 -7.274 1.00 6.59 H new ATOM 966 N PRO A 63 -1.959 6.944 -9.769 1.00 0.54 N ATOM 967 CA PRO A 63 -1.091 5.776 -9.776 1.00 0.52 C ATOM 968 C PRO A 63 0.376 6.196 -9.886 1.00 0.48 C ATOM 969 O PRO A 63 0.678 7.259 -10.425 1.00 0.51 O ATOM 970 CB PRO A 63 -1.549 4.937 -10.964 1.00 0.58 C ATOM 971 CG PRO A 63 -2.029 5.997 -11.957 1.00 0.64 C ATOM 972 CD PRO A 63 -2.639 7.074 -11.052 1.00 0.62 C ATOM 0 HA PRO A 63 -1.159 5.201 -8.853 1.00 0.52 H new ATOM 0 HB2 PRO A 63 -0.736 4.337 -11.373 1.00 0.58 H new ATOM 0 HB3 PRO A 63 -2.348 4.248 -10.689 1.00 0.58 H new ATOM 0 HG2 PRO A 63 -1.207 6.391 -12.554 1.00 0.64 H new ATOM 0 HG3 PRO A 63 -2.764 5.593 -12.654 1.00 0.64 H new ATOM 0 HD2 PRO A 63 -2.492 8.068 -11.474 1.00 0.62 H new ATOM 0 HD3 PRO A 63 -3.714 6.930 -10.942 1.00 0.62 H new ATOM 980 N VAL A 64 1.277 5.353 -9.373 1.00 0.47 N ATOM 981 CA VAL A 64 2.737 5.572 -9.389 1.00 0.48 C ATOM 982 C VAL A 64 3.459 4.262 -9.749 1.00 0.50 C ATOM 983 O VAL A 64 2.893 3.193 -9.516 1.00 0.49 O ATOM 984 CB VAL A 64 3.261 6.145 -8.048 1.00 0.49 C ATOM 985 CG1 VAL A 64 2.742 7.571 -7.806 1.00 0.58 C ATOM 986 CG2 VAL A 64 2.935 5.253 -6.845 1.00 0.62 C ATOM 0 H VAL A 64 1.011 4.477 -8.923 1.00 0.47 H new ATOM 0 HA VAL A 64 2.952 6.320 -10.152 1.00 0.48 H new ATOM 0 HB VAL A 64 4.347 6.174 -8.142 1.00 0.49 H new ATOM 0 HG11 VAL A 64 3.128 7.943 -6.857 1.00 0.58 H new ATOM 0 HG12 VAL A 64 3.076 8.222 -8.614 1.00 0.58 H new ATOM 0 HG13 VAL A 64 1.652 7.561 -7.775 1.00 0.58 H new ATOM 0 HG21 VAL A 64 3.328 5.709 -5.937 1.00 0.62 H new ATOM 0 HG22 VAL A 64 1.854 5.142 -6.757 1.00 0.62 H new ATOM 0 HG23 VAL A 64 3.390 4.273 -6.985 1.00 0.62 H new ATOM 996 N PRO A 65 4.671 4.313 -10.345 1.00 0.55 N ATOM 997 CA PRO A 65 5.292 3.152 -10.981 1.00 0.57 C ATOM 998 C PRO A 65 6.008 2.232 -9.992 1.00 0.56 C ATOM 999 O PRO A 65 6.097 1.038 -10.256 1.00 0.58 O ATOM 1000 CB PRO A 65 6.251 3.744 -12.016 1.00 0.62 C ATOM 1001 CG PRO A 65 6.713 5.044 -11.361 1.00 0.62 C ATOM 1002 CD PRO A 65 5.468 5.506 -10.606 1.00 0.59 C ATOM 0 HA PRO A 65 4.542 2.504 -11.435 1.00 0.57 H new ATOM 0 HB2 PRO A 65 7.088 3.075 -12.218 1.00 0.62 H new ATOM 0 HB3 PRO A 65 5.753 3.928 -12.968 1.00 0.62 H new ATOM 0 HG2 PRO A 65 7.556 4.881 -10.689 1.00 0.62 H new ATOM 0 HG3 PRO A 65 7.033 5.778 -12.101 1.00 0.62 H new ATOM 0 HD2 PRO A 65 5.742 6.000 -9.674 1.00 0.59 H new ATOM 0 HD3 PRO A 65 4.903 6.228 -11.196 1.00 0.59 H new ATOM 1010 N PHE A 66 6.505 2.777 -8.874 1.00 0.53 N ATOM 1011 CA PHE A 66 7.283 2.066 -7.852 1.00 0.52 C ATOM 1012 C PHE A 66 7.599 2.962 -6.642 1.00 0.55 C ATOM 1013 O PHE A 66 7.495 4.187 -6.718 1.00 0.58 O ATOM 1014 CB PHE A 66 8.586 1.501 -8.460 1.00 0.49 C ATOM 1015 CG PHE A 66 9.546 2.552 -8.946 1.00 0.49 C ATOM 1016 CD1 PHE A 66 10.408 3.170 -8.029 1.00 2.01 C ATOM 1017 CD2 PHE A 66 9.543 2.934 -10.294 1.00 1.67 C ATOM 1018 CE1 PHE A 66 11.242 4.216 -8.439 1.00 2.02 C ATOM 1019 CE2 PHE A 66 10.405 3.962 -10.722 1.00 1.68 C ATOM 1020 CZ PHE A 66 11.245 4.611 -9.791 1.00 0.53 C ATOM 0 H PHE A 66 6.371 3.763 -8.648 1.00 0.53 H new ATOM 0 HA PHE A 66 6.670 1.238 -7.494 1.00 0.52 H new ATOM 0 HB2 PHE A 66 9.086 0.886 -7.712 1.00 0.49 H new ATOM 0 HB3 PHE A 66 8.331 0.845 -9.292 1.00 0.49 H new ATOM 0 HD1 PHE A 66 10.428 2.837 -7.002 1.00 2.01 H new ATOM 0 HD2 PHE A 66 8.886 2.445 -10.998 1.00 1.67 H new ATOM 0 HE1 PHE A 66 11.878 4.717 -7.724 1.00 2.02 H new ATOM 0 HE2 PHE A 66 10.424 4.254 -11.762 1.00 1.68 H new ATOM 0 HZ PHE A 66 11.892 5.413 -10.116 1.00 0.53 H new ATOM 1030 N LEU A 67 8.066 2.340 -5.555 1.00 0.57 N ATOM 1031 CA LEU A 67 8.710 2.974 -4.405 1.00 0.61 C ATOM 1032 C LEU A 67 10.168 2.526 -4.296 1.00 0.63 C ATOM 1033 O LEU A 67 10.493 1.386 -4.618 1.00 0.67 O ATOM 1034 CB LEU A 67 8.004 2.577 -3.096 1.00 0.65 C ATOM 1035 CG LEU A 67 6.483 2.777 -3.042 1.00 0.65 C ATOM 1036 CD1 LEU A 67 6.036 2.467 -1.617 1.00 0.75 C ATOM 1037 CD2 LEU A 67 6.035 4.196 -3.408 1.00 0.69 C ATOM 0 H LEU A 67 8.001 1.328 -5.450 1.00 0.57 H new ATOM 0 HA LEU A 67 8.650 4.052 -4.553 1.00 0.61 H new ATOM 0 HB2 LEU A 67 8.216 1.526 -2.901 1.00 0.65 H new ATOM 0 HB3 LEU A 67 8.451 3.148 -2.282 1.00 0.65 H new ATOM 0 HG LEU A 67 6.030 2.115 -3.780 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.957 2.598 -1.538 1.00 0.75 H new ATOM 0 HD12 LEU A 67 6.296 1.438 -1.370 1.00 0.75 H new ATOM 0 HD13 LEU A 67 6.536 3.143 -0.924 1.00 0.75 H new ATOM 0 HD21 LEU A 67 4.949 4.261 -3.348 1.00 0.69 H new ATOM 0 HD22 LEU A 67 6.481 4.909 -2.714 1.00 0.69 H new ATOM 0 HD23 LEU A 67 6.357 4.429 -4.423 1.00 0.69 H new ATOM 1049 N GLU A 68 11.018 3.407 -3.787 1.00 0.62 N ATOM 1050 CA GLU A 68 12.455 3.182 -3.625 1.00 0.63 C ATOM 1051 C GLU A 68 12.789 3.179 -2.136 1.00 0.69 C ATOM 1052 O GLU A 68 12.291 4.047 -1.419 1.00 0.78 O ATOM 1053 CB GLU A 68 13.224 4.333 -4.297 1.00 0.75 C ATOM 1054 CG GLU A 68 14.750 4.146 -4.271 1.00 0.76 C ATOM 1055 CD GLU A 68 15.219 3.312 -5.463 1.00 0.74 C ATOM 1056 OE1 GLU A 68 14.641 2.235 -5.723 1.00 1.74 O ATOM 1057 OE2 GLU A 68 16.100 3.784 -6.210 1.00 1.67 O ATOM 0 H GLU A 68 10.721 4.328 -3.464 1.00 0.62 H new ATOM 0 HA GLU A 68 12.733 2.230 -4.078 1.00 0.63 H new ATOM 0 HB2 GLU A 68 12.894 4.425 -5.332 1.00 0.75 H new ATOM 0 HB3 GLU A 68 12.972 5.269 -3.798 1.00 0.75 H new ATOM 0 HG2 GLU A 68 15.240 5.120 -4.288 1.00 0.76 H new ATOM 0 HG3 GLU A 68 15.045 3.658 -3.342 1.00 0.76 H new ATOM 1064 N VAL A 69 13.662 2.268 -1.682 1.00 0.70 N ATOM 1065 CA VAL A 69 14.201 2.326 -0.315 1.00 0.75 C ATOM 1066 C VAL A 69 15.696 1.964 -0.244 1.00 0.77 C ATOM 1067 O VAL A 69 16.078 0.871 -0.670 1.00 0.81 O ATOM 1068 CB VAL A 69 13.384 1.445 0.670 1.00 0.74 C ATOM 1069 CG1 VAL A 69 13.847 1.624 2.125 1.00 0.81 C ATOM 1070 CG2 VAL A 69 11.874 1.732 0.641 1.00 0.80 C ATOM 0 H VAL A 69 14.009 1.486 -2.238 1.00 0.70 H new ATOM 0 HA VAL A 69 14.104 3.367 -0.006 1.00 0.75 H new ATOM 0 HB VAL A 69 13.566 0.427 0.326 1.00 0.74 H new ATOM 0 HG11 VAL A 69 13.248 0.989 2.778 1.00 0.81 H new ATOM 0 HG12 VAL A 69 14.897 1.344 2.210 1.00 0.81 H new ATOM 0 HG13 VAL A 69 13.725 2.666 2.420 1.00 0.81 H new ATOM 0 HG21 VAL A 69 11.366 1.081 1.353 1.00 0.80 H new ATOM 0 HG22 VAL A 69 11.696 2.773 0.910 1.00 0.80 H new ATOM 0 HG23 VAL A 69 11.487 1.545 -0.361 1.00 0.80 H new ATOM 1080 N PRO A 70 16.555 2.840 0.324 1.00 0.81 N ATOM 1081 CA PRO A 70 17.987 2.590 0.483 1.00 0.85 C ATOM 1082 C PRO A 70 18.263 1.543 1.576 1.00 0.84 C ATOM 1083 O PRO A 70 17.400 1.307 2.424 1.00 0.89 O ATOM 1084 CB PRO A 70 18.595 3.953 0.838 1.00 0.95 C ATOM 1085 CG PRO A 70 17.470 4.644 1.602 1.00 0.96 C ATOM 1086 CD PRO A 70 16.224 4.153 0.871 1.00 0.88 C ATOM 0 HA PRO A 70 18.427 2.177 -0.425 1.00 0.85 H new ATOM 0 HB2 PRO A 70 19.492 3.848 1.449 1.00 0.95 H new ATOM 0 HB3 PRO A 70 18.880 4.512 -0.053 1.00 0.95 H new ATOM 0 HG2 PRO A 70 17.461 4.361 2.655 1.00 0.96 H new ATOM 0 HG3 PRO A 70 17.561 5.730 1.565 1.00 0.96 H new ATOM 0 HD2 PRO A 70 15.375 4.087 1.552 1.00 0.88 H new ATOM 0 HD3 PRO A 70 15.942 4.844 0.077 1.00 0.88 H new ATOM 1094 N PRO A 71 19.460 0.920 1.594 1.00 0.85 N ATOM 1095 CA PRO A 71 19.830 -0.097 2.578 1.00 0.85 C ATOM 1096 C PRO A 71 19.739 0.434 4.008 1.00 0.87 C ATOM 1097 O PRO A 71 20.142 1.563 4.269 1.00 0.96 O ATOM 1098 CB PRO A 71 21.241 -0.545 2.196 1.00 0.91 C ATOM 1099 CG PRO A 71 21.804 0.601 1.362 1.00 0.95 C ATOM 1100 CD PRO A 71 20.563 1.157 0.674 1.00 0.91 C ATOM 0 HA PRO A 71 19.142 -0.942 2.563 1.00 0.85 H new ATOM 0 HB2 PRO A 71 21.851 -0.727 3.081 1.00 0.91 H new ATOM 0 HB3 PRO A 71 21.220 -1.475 1.627 1.00 0.91 H new ATOM 0 HG2 PRO A 71 22.293 1.351 1.983 1.00 0.95 H new ATOM 0 HG3 PRO A 71 22.544 0.252 0.642 1.00 0.95 H new ATOM 0 HD2 PRO A 71 20.676 2.221 0.464 1.00 0.91 H new ATOM 0 HD3 PRO A 71 20.390 0.660 -0.281 1.00 0.91 H new ATOM 1108 N LYS A 72 19.177 -0.382 4.919 1.00 0.89 N ATOM 1109 CA LYS A 72 18.950 -0.104 6.356 1.00 1.02 C ATOM 1110 C LYS A 72 17.807 0.906 6.605 1.00 1.07 C ATOM 1111 O LYS A 72 17.368 1.081 7.742 1.00 1.22 O ATOM 1112 CB LYS A 72 20.250 0.317 7.082 1.00 1.18 C ATOM 1113 CG LYS A 72 21.324 -0.765 7.288 1.00 1.50 C ATOM 1114 CD LYS A 72 21.545 -1.743 6.124 1.00 1.33 C ATOM 1115 CE LYS A 72 22.812 -2.599 6.201 1.00 1.34 C ATOM 1116 NZ LYS A 72 24.004 -1.852 5.732 1.00 3.03 N ATOM 0 H LYS A 72 18.848 -1.312 4.659 1.00 0.89 H new ATOM 0 HA LYS A 72 18.625 -1.049 6.791 1.00 1.02 H new ATOM 0 HB2 LYS A 72 20.700 1.136 6.521 1.00 1.18 H new ATOM 0 HB3 LYS A 72 19.977 0.712 8.060 1.00 1.18 H new ATOM 0 HG2 LYS A 72 22.271 -0.269 7.501 1.00 1.50 H new ATOM 0 HG3 LYS A 72 21.060 -1.343 8.174 1.00 1.50 H new ATOM 0 HD2 LYS A 72 20.683 -2.408 6.065 1.00 1.33 H new ATOM 0 HD3 LYS A 72 21.571 -1.173 5.196 1.00 1.33 H new ATOM 0 HE2 LYS A 72 22.968 -2.927 7.229 1.00 1.34 H new ATOM 0 HE3 LYS A 72 22.683 -3.496 5.596 1.00 1.34 H new ATOM 0 HZ1 LYS A 72 24.681 -2.514 5.302 1.00 3.03 H new ATOM 0 HZ2 LYS A 72 23.715 -1.145 5.026 1.00 3.03 H new ATOM 0 HZ3 LYS A 72 24.453 -1.372 6.538 1.00 3.03 H new ATOM 1130 N GLY A 73 17.293 1.541 5.551 1.00 1.07 N ATOM 1131 CA GLY A 73 16.230 2.551 5.607 1.00 1.21 C ATOM 1132 C GLY A 73 14.831 1.945 5.759 1.00 1.17 C ATOM 1133 O GLY A 73 14.544 0.877 5.221 1.00 1.14 O ATOM 0 H GLY A 73 17.615 1.361 4.600 1.00 1.07 H new ATOM 0 HA2 GLY A 73 16.420 3.224 6.443 1.00 1.21 H new ATOM 0 HA3 GLY A 73 16.262 3.153 4.699 1.00 1.21 H new ATOM 1137 N ARG A 74 13.948 2.648 6.479 1.00 1.34 N ATOM 1138 CA ARG A 74 12.519 2.378 6.615 1.00 1.37 C ATOM 1139 C ARG A 74 11.720 3.481 5.912 1.00 1.71 C ATOM 1140 O ARG A 74 12.071 4.652 6.026 1.00 2.10 O ATOM 1141 CB ARG A 74 12.245 2.333 8.123 1.00 1.74 C ATOM 1142 CG ARG A 74 10.811 2.535 8.616 1.00 2.07 C ATOM 1143 CD ARG A 74 9.842 1.392 8.300 1.00 2.19 C ATOM 1144 NE ARG A 74 9.143 0.871 9.492 1.00 2.77 N ATOM 1145 CZ ARG A 74 9.475 -0.184 10.224 1.00 3.19 C ATOM 1146 NH1 ARG A 74 10.659 -0.756 10.153 1.00 4.00 N ATOM 1147 NH2 ARG A 74 8.598 -0.699 11.050 1.00 4.11 N ATOM 0 H ARG A 74 14.234 3.469 7.013 1.00 1.34 H new ATOM 0 HA ARG A 74 12.220 1.438 6.151 1.00 1.37 H new ATOM 0 HB2 ARG A 74 12.588 1.367 8.492 1.00 1.74 H new ATOM 0 HB3 ARG A 74 12.867 3.094 8.595 1.00 1.74 H new ATOM 0 HG2 ARG A 74 10.833 2.682 9.696 1.00 2.07 H new ATOM 0 HG3 ARG A 74 10.420 3.453 8.177 1.00 2.07 H new ATOM 0 HD2 ARG A 74 9.104 1.740 7.578 1.00 2.19 H new ATOM 0 HD3 ARG A 74 10.392 0.579 7.826 1.00 2.19 H new ATOM 0 HE ARG A 74 8.310 1.381 9.786 1.00 2.77 H new ATOM 0 HH11 ARG A 74 11.365 -0.389 9.515 1.00 4.00 H new ATOM 0 HH12 ARG A 74 10.870 -1.566 10.736 1.00 4.00 H new ATOM 0 HH21 ARG A 74 7.667 -0.289 11.127 1.00 4.11 H new ATOM 0 HH22 ARG A 74 8.846 -1.510 11.616 1.00 4.11 H new ATOM 1161 N VAL A 75 10.641 3.095 5.235 1.00 1.75 N ATOM 1162 CA VAL A 75 9.672 3.974 4.557 1.00 2.24 C ATOM 1163 C VAL A 75 8.287 3.335 4.668 1.00 1.79 C ATOM 1164 O VAL A 75 8.109 2.194 4.260 1.00 1.74 O ATOM 1165 CB VAL A 75 10.012 4.174 3.055 1.00 2.91 C ATOM 1166 CG1 VAL A 75 8.955 5.039 2.341 1.00 3.44 C ATOM 1167 CG2 VAL A 75 11.383 4.845 2.859 1.00 3.48 C ATOM 0 H VAL A 75 10.400 2.109 5.135 1.00 1.75 H new ATOM 0 HA VAL A 75 9.704 4.952 5.037 1.00 2.24 H new ATOM 0 HB VAL A 75 10.028 3.174 2.621 1.00 2.91 H new ATOM 0 HG11 VAL A 75 9.228 5.156 1.292 1.00 3.44 H new ATOM 0 HG12 VAL A 75 7.981 4.554 2.410 1.00 3.44 H new ATOM 0 HG13 VAL A 75 8.907 6.019 2.815 1.00 3.44 H new ATOM 0 HG21 VAL A 75 11.580 4.965 1.794 1.00 3.48 H new ATOM 0 HG22 VAL A 75 11.382 5.823 3.341 1.00 3.48 H new ATOM 0 HG23 VAL A 75 12.160 4.223 3.304 1.00 3.48 H new ATOM 1177 N GLU A 76 7.309 4.054 5.219 1.00 1.67 N ATOM 1178 CA GLU A 76 5.953 3.587 5.418 1.00 1.29 C ATOM 1179 C GLU A 76 4.983 4.294 4.460 1.00 1.23 C ATOM 1180 O GLU A 76 5.149 5.484 4.160 1.00 1.36 O ATOM 1181 CB GLU A 76 5.687 3.795 6.911 1.00 1.47 C ATOM 1182 CG GLU A 76 4.381 3.233 7.432 1.00 2.58 C ATOM 1183 CD GLU A 76 3.189 4.169 7.269 1.00 3.85 C ATOM 1184 OE1 GLU A 76 3.296 5.346 7.689 1.00 4.23 O ATOM 1185 OE2 GLU A 76 2.176 3.715 6.698 1.00 5.19 O ATOM 0 H GLU A 76 7.452 5.009 5.547 1.00 1.67 H new ATOM 0 HA GLU A 76 5.803 2.536 5.173 1.00 1.29 H new ATOM 0 HB2 GLU A 76 6.505 3.344 7.473 1.00 1.47 H new ATOM 0 HB3 GLU A 76 5.709 4.865 7.119 1.00 1.47 H new ATOM 0 HG2 GLU A 76 4.168 2.298 6.914 1.00 2.58 H new ATOM 0 HG3 GLU A 76 4.498 2.992 8.489 1.00 2.58 H new ATOM 1192 N LEU A 77 3.993 3.554 3.939 1.00 1.10 N ATOM 1193 CA LEU A 77 2.975 4.062 3.019 1.00 1.05 C ATOM 1194 C LEU A 77 1.904 4.825 3.816 1.00 1.23 C ATOM 1195 O LEU A 77 0.755 4.396 3.915 1.00 2.08 O ATOM 1196 CB LEU A 77 2.388 2.918 2.153 1.00 0.93 C ATOM 1197 CG LEU A 77 3.293 2.398 1.015 1.00 0.92 C ATOM 1198 CD1 LEU A 77 4.331 1.365 1.472 1.00 1.03 C ATOM 1199 CD2 LEU A 77 2.422 1.757 -0.078 1.00 1.07 C ATOM 0 H LEU A 77 3.879 2.563 4.153 1.00 1.10 H new ATOM 0 HA LEU A 77 3.427 4.764 2.318 1.00 1.05 H new ATOM 0 HB2 LEU A 77 2.145 2.081 2.808 1.00 0.93 H new ATOM 0 HB3 LEU A 77 1.451 3.264 1.716 1.00 0.93 H new ATOM 0 HG LEU A 77 3.840 3.264 0.643 1.00 0.92 H new ATOM 0 HD11 LEU A 77 4.929 1.047 0.618 1.00 1.03 H new ATOM 0 HD12 LEU A 77 4.982 1.811 2.224 1.00 1.03 H new ATOM 0 HD13 LEU A 77 3.821 0.502 1.900 1.00 1.03 H new ATOM 0 HD21 LEU A 77 3.059 1.389 -0.882 1.00 1.07 H new ATOM 0 HD22 LEU A 77 1.858 0.926 0.347 1.00 1.07 H new ATOM 0 HD23 LEU A 77 1.730 2.500 -0.474 1.00 1.07 H new ATOM 1211 N LYS A 78 2.305 5.954 4.420 1.00 1.28 N ATOM 1212 CA LYS A 78 1.494 6.651 5.426 1.00 1.32 C ATOM 1213 C LYS A 78 0.071 6.950 4.919 1.00 1.14 C ATOM 1214 O LYS A 78 -0.057 7.479 3.803 1.00 1.20 O ATOM 1215 CB LYS A 78 2.213 7.906 5.974 1.00 1.73 C ATOM 1216 CG LYS A 78 2.421 9.085 5.002 1.00 1.58 C ATOM 1217 CD LYS A 78 3.636 8.921 4.071 1.00 1.85 C ATOM 1218 CE LYS A 78 3.277 9.163 2.598 1.00 3.48 C ATOM 1219 NZ LYS A 78 2.836 10.560 2.340 1.00 5.28 N ATOM 0 H LYS A 78 3.198 6.407 4.225 1.00 1.28 H new ATOM 0 HA LYS A 78 1.375 5.972 6.270 1.00 1.32 H new ATOM 0 HB2 LYS A 78 1.647 8.271 6.831 1.00 1.73 H new ATOM 0 HB3 LYS A 78 3.191 7.599 6.345 1.00 1.73 H new ATOM 0 HG2 LYS A 78 1.524 9.204 4.394 1.00 1.58 H new ATOM 0 HG3 LYS A 78 2.539 10.002 5.579 1.00 1.58 H new ATOM 0 HD2 LYS A 78 4.418 9.618 4.371 1.00 1.85 H new ATOM 0 HD3 LYS A 78 4.044 7.917 4.183 1.00 1.85 H new ATOM 0 HE2 LYS A 78 4.143 8.938 1.975 1.00 3.48 H new ATOM 0 HE3 LYS A 78 2.485 8.475 2.303 1.00 3.48 H new ATOM 0 HZ1 LYS A 78 2.606 10.671 1.332 1.00 5.28 H new ATOM 0 HZ2 LYS A 78 1.994 10.769 2.913 1.00 5.28 H new ATOM 0 HZ3 LYS A 78 3.600 11.218 2.595 1.00 5.28 H new ATOM 1233 N PRO A 79 -0.985 6.739 5.733 1.00 1.16 N ATOM 1234 CA PRO A 79 -2.359 6.556 5.258 1.00 1.21 C ATOM 1235 C PRO A 79 -3.001 7.735 4.512 1.00 1.38 C ATOM 1236 O PRO A 79 -3.942 7.524 3.748 1.00 2.40 O ATOM 1237 CB PRO A 79 -3.184 6.134 6.482 1.00 1.58 C ATOM 1238 CG PRO A 79 -2.352 6.643 7.655 1.00 1.56 C ATOM 1239 CD PRO A 79 -0.928 6.429 7.153 1.00 1.43 C ATOM 0 HA PRO A 79 -2.337 5.797 4.476 1.00 1.21 H new ATOM 0 HB2 PRO A 79 -4.179 6.580 6.470 1.00 1.58 H new ATOM 0 HB3 PRO A 79 -3.319 5.053 6.523 1.00 1.58 H new ATOM 0 HG2 PRO A 79 -2.554 7.692 7.873 1.00 1.56 H new ATOM 0 HG3 PRO A 79 -2.551 6.083 8.569 1.00 1.56 H new ATOM 0 HD2 PRO A 79 -0.224 7.079 7.672 1.00 1.43 H new ATOM 0 HD3 PRO A 79 -0.599 5.404 7.321 1.00 1.43 H new ATOM 1247 N GLY A 80 -2.497 8.963 4.688 1.00 1.14 N ATOM 1248 CA GLY A 80 -2.952 10.134 3.921 1.00 1.53 C ATOM 1249 C GLY A 80 -2.274 10.322 2.556 1.00 1.70 C ATOM 1250 O GLY A 80 -2.624 11.258 1.849 1.00 2.61 O ATOM 0 H GLY A 80 -1.763 9.175 5.364 1.00 1.14 H new ATOM 0 HA2 GLY A 80 -4.028 10.052 3.767 1.00 1.53 H new ATOM 0 HA3 GLY A 80 -2.783 11.029 4.520 1.00 1.53 H new ATOM 1254 N GLY A 81 -1.292 9.483 2.195 1.00 1.07 N ATOM 1255 CA GLY A 81 -0.476 9.598 0.980 1.00 1.06 C ATOM 1256 C GLY A 81 -0.403 8.306 0.167 1.00 1.12 C ATOM 1257 O GLY A 81 -1.370 7.895 -0.471 1.00 1.90 O ATOM 0 H GLY A 81 -1.036 8.676 2.763 1.00 1.07 H new ATOM 0 HA2 GLY A 81 -0.884 10.390 0.352 1.00 1.06 H new ATOM 0 HA3 GLY A 81 0.534 9.900 1.258 1.00 1.06 H new ATOM 1261 N TYR A 82 0.760 7.647 0.184 1.00 0.71 N ATOM 1262 CA TYR A 82 0.994 6.442 -0.619 1.00 0.59 C ATOM 1263 C TYR A 82 0.218 5.263 -0.053 1.00 0.61 C ATOM 1264 O TYR A 82 0.028 5.148 1.151 1.00 0.81 O ATOM 1265 CB TYR A 82 2.478 6.074 -0.663 1.00 0.65 C ATOM 1266 CG TYR A 82 3.328 6.961 -1.547 1.00 0.58 C ATOM 1267 CD1 TYR A 82 3.885 8.154 -1.051 1.00 1.86 C ATOM 1268 CD2 TYR A 82 3.561 6.583 -2.879 1.00 1.99 C ATOM 1269 CE1 TYR A 82 4.680 8.966 -1.881 1.00 1.76 C ATOM 1270 CE2 TYR A 82 4.382 7.372 -3.702 1.00 2.13 C ATOM 1271 CZ TYR A 82 4.946 8.570 -3.212 1.00 0.73 C ATOM 1272 OH TYR A 82 5.728 9.336 -4.021 1.00 0.97 O ATOM 0 H TYR A 82 1.560 7.931 0.750 1.00 0.71 H new ATOM 0 HA TYR A 82 0.653 6.663 -1.630 1.00 0.59 H new ATOM 0 HB2 TYR A 82 2.876 6.108 0.351 1.00 0.65 H new ATOM 0 HB3 TYR A 82 2.572 5.044 -1.008 1.00 0.65 H new ATOM 0 HD1 TYR A 82 3.702 8.448 -0.028 1.00 1.86 H new ATOM 0 HD2 TYR A 82 3.108 5.684 -3.272 1.00 1.99 H new ATOM 0 HE1 TYR A 82 5.087 9.892 -1.501 1.00 1.76 H new ATOM 0 HE2 TYR A 82 4.583 7.060 -4.716 1.00 2.13 H new ATOM 0 HH TYR A 82 5.804 8.911 -4.901 1.00 0.97 H new ATOM 1282 N HIS A 83 -0.297 4.430 -0.946 1.00 0.49 N ATOM 1283 CA HIS A 83 -1.084 3.247 -0.614 1.00 0.46 C ATOM 1284 C HIS A 83 -1.153 2.303 -1.815 1.00 0.39 C ATOM 1285 O HIS A 83 -0.874 2.710 -2.946 1.00 0.49 O ATOM 1286 CB HIS A 83 -2.479 3.670 -0.134 1.00 0.54 C ATOM 1287 CG HIS A 83 -3.273 4.465 -1.135 1.00 0.52 C ATOM 1288 ND1 HIS A 83 -3.073 5.788 -1.464 1.00 0.53 N ATOM 1289 CD2 HIS A 83 -4.261 3.982 -1.947 1.00 0.52 C ATOM 1290 CE1 HIS A 83 -3.883 6.087 -2.489 1.00 0.53 C ATOM 1291 NE2 HIS A 83 -4.639 5.023 -2.796 1.00 0.53 N ATOM 0 H HIS A 83 -0.176 4.561 -1.950 1.00 0.49 H new ATOM 0 HA HIS A 83 -0.603 2.703 0.199 1.00 0.46 H new ATOM 0 HB2 HIS A 83 -3.044 2.776 0.130 1.00 0.54 H new ATOM 0 HB3 HIS A 83 -2.372 4.260 0.776 1.00 0.54 H new ATOM 0 HD1 HIS A 83 -2.423 6.428 -1.008 1.00 0.53 H new ATOM 0 HD2 HIS A 83 -4.672 2.983 -1.934 1.00 0.52 H new ATOM 0 HE1 HIS A 83 -3.921 7.042 -2.992 1.00 0.53 H new ATOM 1299 N PHE A 84 -1.626 1.081 -1.593 1.00 0.47 N ATOM 1300 CA PHE A 84 -2.076 0.208 -2.666 1.00 0.43 C ATOM 1301 C PHE A 84 -3.591 0.372 -2.858 1.00 0.42 C ATOM 1302 O PHE A 84 -4.318 0.558 -1.883 1.00 0.53 O ATOM 1303 CB PHE A 84 -1.748 -1.241 -2.309 1.00 0.51 C ATOM 1304 CG PHE A 84 -0.263 -1.495 -2.253 1.00 0.64 C ATOM 1305 CD1 PHE A 84 0.438 -1.745 -3.444 1.00 1.27 C ATOM 1306 CD2 PHE A 84 0.429 -1.412 -1.031 1.00 1.86 C ATOM 1307 CE1 PHE A 84 1.825 -1.938 -3.411 1.00 1.27 C ATOM 1308 CE2 PHE A 84 1.817 -1.613 -0.997 1.00 2.04 C ATOM 1309 CZ PHE A 84 2.511 -1.880 -2.185 1.00 1.05 C ATOM 0 H PHE A 84 -1.707 0.670 -0.663 1.00 0.47 H new ATOM 0 HA PHE A 84 -1.569 0.473 -3.594 1.00 0.43 H new ATOM 0 HB2 PHE A 84 -2.193 -1.485 -1.344 1.00 0.51 H new ATOM 0 HB3 PHE A 84 -2.200 -1.905 -3.045 1.00 0.51 H new ATOM 0 HD1 PHE A 84 -0.092 -1.788 -4.384 1.00 1.27 H new ATOM 0 HD2 PHE A 84 -0.108 -1.194 -0.120 1.00 1.86 H new ATOM 0 HE1 PHE A 84 2.366 -2.131 -4.325 1.00 1.27 H new ATOM 0 HE2 PHE A 84 2.349 -1.562 -0.058 1.00 2.04 H new ATOM 0 HZ PHE A 84 3.578 -2.042 -2.159 1.00 1.05 H new ATOM 1319 N MET A 85 -4.097 0.239 -4.083 1.00 0.41 N ATOM 1320 CA MET A 85 -5.529 0.090 -4.391 1.00 0.42 C ATOM 1321 C MET A 85 -5.839 -1.372 -4.697 1.00 0.41 C ATOM 1322 O MET A 85 -5.072 -2.000 -5.422 1.00 0.42 O ATOM 1323 CB MET A 85 -5.933 0.960 -5.581 1.00 0.52 C ATOM 1324 CG MET A 85 -7.336 1.547 -5.376 1.00 0.68 C ATOM 1325 SD MET A 85 -7.404 2.888 -4.147 1.00 0.54 S ATOM 1326 CE MET A 85 -9.203 2.979 -3.915 1.00 0.68 C ATOM 0 H MET A 85 -3.510 0.231 -4.917 1.00 0.41 H new ATOM 0 HA MET A 85 -6.100 0.415 -3.521 1.00 0.42 H new ATOM 0 HB2 MET A 85 -5.211 1.767 -5.709 1.00 0.52 H new ATOM 0 HB3 MET A 85 -5.912 0.366 -6.495 1.00 0.52 H new ATOM 0 HG2 MET A 85 -7.704 1.923 -6.330 1.00 0.68 H new ATOM 0 HG3 MET A 85 -8.011 0.749 -5.066 1.00 0.68 H new ATOM 0 HE1 MET A 85 -9.437 3.756 -3.187 1.00 0.68 H new ATOM 0 HE2 MET A 85 -9.681 3.216 -4.865 1.00 0.68 H new ATOM 0 HE3 MET A 85 -9.572 2.019 -3.553 1.00 0.68 H new ATOM 1336 N LEU A 86 -6.942 -1.906 -4.168 1.00 0.51 N ATOM 1337 CA LEU A 86 -7.366 -3.298 -4.329 1.00 0.53 C ATOM 1338 C LEU A 86 -8.719 -3.335 -5.058 1.00 0.55 C ATOM 1339 O LEU A 86 -9.676 -2.699 -4.612 1.00 0.62 O ATOM 1340 CB LEU A 86 -7.517 -3.943 -2.937 1.00 0.61 C ATOM 1341 CG LEU A 86 -6.240 -4.427 -2.215 1.00 0.64 C ATOM 1342 CD1 LEU A 86 -5.192 -3.336 -1.957 1.00 0.59 C ATOM 1343 CD2 LEU A 86 -6.655 -5.024 -0.860 1.00 0.77 C ATOM 0 H LEU A 86 -7.587 -1.362 -3.596 1.00 0.51 H new ATOM 0 HA LEU A 86 -6.624 -3.846 -4.910 1.00 0.53 H new ATOM 0 HB2 LEU A 86 -8.014 -3.222 -2.288 1.00 0.61 H new ATOM 0 HB3 LEU A 86 -8.187 -4.797 -3.036 1.00 0.61 H new ATOM 0 HG LEU A 86 -5.768 -5.152 -2.878 1.00 0.64 H new ATOM 0 HD11 LEU A 86 -4.332 -3.771 -1.447 1.00 0.59 H new ATOM 0 HD12 LEU A 86 -4.872 -2.907 -2.907 1.00 0.59 H new ATOM 0 HD13 LEU A 86 -5.627 -2.554 -1.334 1.00 0.59 H new ATOM 0 HD21 LEU A 86 -5.769 -5.374 -0.330 1.00 0.77 H new ATOM 0 HD22 LEU A 86 -7.157 -4.261 -0.265 1.00 0.77 H new ATOM 0 HD23 LEU A 86 -7.334 -5.861 -1.024 1.00 0.77 H new ATOM 1355 N LEU A 87 -8.833 -4.114 -6.136 1.00 0.55 N ATOM 1356 CA LEU A 87 -10.099 -4.359 -6.845 1.00 0.58 C ATOM 1357 C LEU A 87 -10.349 -5.867 -6.979 1.00 0.52 C ATOM 1358 O LEU A 87 -9.412 -6.641 -7.176 1.00 0.51 O ATOM 1359 CB LEU A 87 -10.073 -3.681 -8.238 1.00 0.78 C ATOM 1360 CG LEU A 87 -11.120 -2.565 -8.421 1.00 1.65 C ATOM 1361 CD1 LEU A 87 -10.692 -1.267 -7.719 1.00 2.13 C ATOM 1362 CD2 LEU A 87 -11.321 -2.278 -9.915 1.00 2.21 C ATOM 0 H LEU A 87 -8.038 -4.601 -6.550 1.00 0.55 H new ATOM 0 HA LEU A 87 -10.916 -3.926 -6.268 1.00 0.58 H new ATOM 0 HB2 LEU A 87 -9.081 -3.263 -8.407 1.00 0.78 H new ATOM 0 HB3 LEU A 87 -10.233 -4.442 -9.002 1.00 0.78 H new ATOM 0 HG LEU A 87 -12.051 -2.911 -7.973 1.00 1.65 H new ATOM 0 HD11 LEU A 87 -11.455 -0.503 -7.870 1.00 2.13 H new ATOM 0 HD12 LEU A 87 -10.571 -1.453 -6.652 1.00 2.13 H new ATOM 0 HD13 LEU A 87 -9.746 -0.922 -8.137 1.00 2.13 H new ATOM 0 HD21 LEU A 87 -12.062 -1.488 -10.037 1.00 2.21 H new ATOM 0 HD22 LEU A 87 -10.376 -1.960 -10.355 1.00 2.21 H new ATOM 0 HD23 LEU A 87 -11.668 -3.182 -10.416 1.00 2.21 H new ATOM 1374 N GLY A 88 -11.615 -6.297 -6.915 1.00 0.57 N ATOM 1375 CA GLY A 88 -11.990 -7.698 -7.149 1.00 0.60 C ATOM 1376 C GLY A 88 -11.579 -8.611 -5.996 1.00 0.60 C ATOM 1377 O GLY A 88 -10.876 -9.597 -6.207 1.00 0.82 O ATOM 0 H GLY A 88 -12.405 -5.688 -6.701 1.00 0.57 H new ATOM 0 HA2 GLY A 88 -13.068 -7.763 -7.294 1.00 0.60 H new ATOM 0 HA3 GLY A 88 -11.523 -8.047 -8.070 1.00 0.60 H new ATOM 1381 N LEU A 89 -11.952 -8.240 -4.771 1.00 0.61 N ATOM 1382 CA LEU A 89 -11.761 -9.056 -3.571 1.00 0.64 C ATOM 1383 C LEU A 89 -12.420 -10.436 -3.614 1.00 0.73 C ATOM 1384 O LEU A 89 -13.381 -10.693 -4.335 1.00 1.04 O ATOM 1385 CB LEU A 89 -12.097 -8.273 -2.285 1.00 0.71 C ATOM 1386 CG LEU A 89 -13.399 -7.444 -2.241 1.00 0.99 C ATOM 1387 CD1 LEU A 89 -14.677 -8.270 -2.438 1.00 1.59 C ATOM 1388 CD2 LEU A 89 -13.449 -6.691 -0.906 1.00 1.38 C ATOM 0 H LEU A 89 -12.405 -7.346 -4.581 1.00 0.61 H new ATOM 0 HA LEU A 89 -10.694 -9.279 -3.551 1.00 0.64 H new ATOM 0 HB2 LEU A 89 -12.132 -8.987 -1.463 1.00 0.71 H new ATOM 0 HB3 LEU A 89 -11.267 -7.596 -2.084 1.00 0.71 H new ATOM 0 HG LEU A 89 -13.373 -6.754 -3.084 1.00 0.99 H new ATOM 0 HD11 LEU A 89 -15.545 -7.613 -2.393 1.00 1.59 H new ATOM 0 HD12 LEU A 89 -14.645 -8.764 -3.409 1.00 1.59 H new ATOM 0 HD13 LEU A 89 -14.750 -9.021 -1.651 1.00 1.59 H new ATOM 0 HD21 LEU A 89 -14.363 -6.099 -0.856 1.00 1.38 H new ATOM 0 HD22 LEU A 89 -13.435 -7.407 -0.084 1.00 1.38 H new ATOM 0 HD23 LEU A 89 -12.585 -6.032 -0.828 1.00 1.38 H new ATOM 1400 N LYS A 90 -11.855 -11.332 -2.803 1.00 0.69 N ATOM 1401 CA LYS A 90 -12.255 -12.749 -2.728 1.00 0.76 C ATOM 1402 C LYS A 90 -12.872 -13.150 -1.367 1.00 0.84 C ATOM 1403 O LYS A 90 -13.380 -14.259 -1.208 1.00 0.92 O ATOM 1404 CB LYS A 90 -11.057 -13.633 -3.117 1.00 0.74 C ATOM 1405 CG LYS A 90 -10.554 -13.375 -4.555 1.00 0.86 C ATOM 1406 CD LYS A 90 -9.219 -12.632 -4.599 1.00 2.04 C ATOM 1407 CE LYS A 90 -8.653 -12.442 -6.010 1.00 1.86 C ATOM 1408 NZ LYS A 90 -8.428 -13.718 -6.727 1.00 2.80 N ATOM 0 H LYS A 90 -11.093 -11.095 -2.167 1.00 0.69 H new ATOM 0 HA LYS A 90 -13.063 -12.907 -3.443 1.00 0.76 H new ATOM 0 HB2 LYS A 90 -10.241 -13.457 -2.416 1.00 0.74 H new ATOM 0 HB3 LYS A 90 -11.340 -14.681 -3.020 1.00 0.74 H new ATOM 0 HG2 LYS A 90 -10.450 -14.328 -5.074 1.00 0.86 H new ATOM 0 HG3 LYS A 90 -11.303 -12.797 -5.097 1.00 0.86 H new ATOM 0 HD2 LYS A 90 -9.345 -11.654 -4.135 1.00 2.04 H new ATOM 0 HD3 LYS A 90 -8.492 -13.178 -3.998 1.00 2.04 H new ATOM 0 HE2 LYS A 90 -9.339 -11.824 -6.589 1.00 1.86 H new ATOM 0 HE3 LYS A 90 -7.711 -11.898 -5.946 1.00 1.86 H new ATOM 0 HZ1 LYS A 90 -7.454 -13.745 -7.091 1.00 2.80 H new ATOM 0 HZ2 LYS A 90 -8.576 -14.514 -6.074 1.00 2.80 H new ATOM 0 HZ3 LYS A 90 -9.096 -13.793 -7.520 1.00 2.80 H new ATOM 1422 N ARG A 91 -12.838 -12.239 -0.390 1.00 0.91 N ATOM 1423 CA ARG A 91 -13.579 -12.239 0.880 1.00 1.00 C ATOM 1424 C ARG A 91 -14.053 -10.805 1.177 1.00 0.91 C ATOM 1425 O ARG A 91 -13.566 -9.883 0.518 1.00 1.01 O ATOM 1426 CB ARG A 91 -12.652 -12.699 2.016 1.00 1.17 C ATOM 1427 CG ARG A 91 -12.398 -14.207 1.984 1.00 1.99 C ATOM 1428 CD ARG A 91 -11.472 -14.586 3.134 1.00 2.31 C ATOM 1429 NE ARG A 91 -11.371 -16.051 3.254 1.00 3.07 N ATOM 1430 CZ ARG A 91 -10.690 -16.725 4.173 1.00 3.78 C ATOM 1431 NH1 ARG A 91 -9.979 -16.118 5.103 1.00 4.31 N ATOM 1432 NH2 ARG A 91 -10.711 -18.042 4.149 1.00 4.73 N ATOM 0 H ARG A 91 -12.244 -11.414 -0.471 1.00 0.91 H new ATOM 0 HA ARG A 91 -14.432 -12.914 0.807 1.00 1.00 H new ATOM 0 HB2 ARG A 91 -11.701 -12.171 1.942 1.00 1.17 H new ATOM 0 HB3 ARG A 91 -13.094 -12.428 2.975 1.00 1.17 H new ATOM 0 HG2 ARG A 91 -13.341 -14.748 2.067 1.00 1.99 H new ATOM 0 HG3 ARG A 91 -11.950 -14.492 1.032 1.00 1.99 H new ATOM 0 HD2 ARG A 91 -10.483 -14.160 2.968 1.00 2.31 H new ATOM 0 HD3 ARG A 91 -11.848 -14.164 4.066 1.00 2.31 H new ATOM 0 HE ARG A 91 -11.875 -16.603 2.561 1.00 3.07 H new ATOM 0 HH11 ARG A 91 -9.940 -15.099 5.132 1.00 4.31 H new ATOM 0 HH12 ARG A 91 -9.468 -16.667 5.794 1.00 4.31 H new ATOM 0 HH21 ARG A 91 -11.246 -18.531 3.431 1.00 4.73 H new ATOM 0 HH22 ARG A 91 -10.193 -18.573 4.849 1.00 4.73 H new ATOM 1446 N PRO A 92 -14.944 -10.583 2.160 1.00 1.07 N ATOM 1447 CA PRO A 92 -15.118 -9.261 2.748 1.00 1.19 C ATOM 1448 C PRO A 92 -13.801 -8.751 3.351 1.00 1.48 C ATOM 1449 O PRO A 92 -12.896 -9.531 3.637 1.00 2.21 O ATOM 1450 CB PRO A 92 -16.199 -9.435 3.825 1.00 1.85 C ATOM 1451 CG PRO A 92 -16.096 -10.911 4.207 1.00 2.05 C ATOM 1452 CD PRO A 92 -15.749 -11.568 2.875 1.00 1.46 C ATOM 0 HA PRO A 92 -15.412 -8.520 2.005 1.00 1.19 H new ATOM 0 HB2 PRO A 92 -16.018 -8.786 4.682 1.00 1.85 H new ATOM 0 HB3 PRO A 92 -17.189 -9.189 3.442 1.00 1.85 H new ATOM 0 HG2 PRO A 92 -15.326 -11.084 4.959 1.00 2.05 H new ATOM 0 HG3 PRO A 92 -17.032 -11.291 4.616 1.00 2.05 H new ATOM 0 HD2 PRO A 92 -15.195 -12.495 3.026 1.00 1.46 H new ATOM 0 HD3 PRO A 92 -16.649 -11.822 2.315 1.00 1.46 H new ATOM 1460 N LEU A 93 -13.724 -7.431 3.557 1.00 1.37 N ATOM 1461 CA LEU A 93 -12.758 -6.793 4.451 1.00 1.55 C ATOM 1462 C LEU A 93 -13.469 -5.779 5.362 1.00 1.71 C ATOM 1463 O LEU A 93 -13.892 -4.706 4.926 1.00 2.19 O ATOM 1464 CB LEU A 93 -11.557 -6.214 3.658 1.00 1.72 C ATOM 1465 CG LEU A 93 -11.783 -5.798 2.188 1.00 1.83 C ATOM 1466 CD1 LEU A 93 -12.800 -4.655 2.021 1.00 2.79 C ATOM 1467 CD2 LEU A 93 -10.451 -5.379 1.558 1.00 2.57 C ATOM 0 H LEU A 93 -14.345 -6.766 3.096 1.00 1.37 H new ATOM 0 HA LEU A 93 -12.322 -7.540 5.114 1.00 1.55 H new ATOM 0 HB2 LEU A 93 -11.192 -5.341 4.198 1.00 1.72 H new ATOM 0 HB3 LEU A 93 -10.759 -6.956 3.675 1.00 1.72 H new ATOM 0 HG LEU A 93 -12.198 -6.670 1.683 1.00 1.83 H new ATOM 0 HD11 LEU A 93 -12.908 -4.416 0.963 1.00 2.79 H new ATOM 0 HD12 LEU A 93 -13.765 -4.964 2.423 1.00 2.79 H new ATOM 0 HD13 LEU A 93 -12.449 -3.774 2.558 1.00 2.79 H new ATOM 0 HD21 LEU A 93 -10.615 -5.086 0.521 1.00 2.57 H new ATOM 0 HD22 LEU A 93 -10.036 -4.537 2.111 1.00 2.57 H new ATOM 0 HD23 LEU A 93 -9.753 -6.215 1.593 1.00 2.57 H new ATOM 1479 N LYS A 94 -13.681 -6.160 6.623 1.00 1.53 N ATOM 1480 CA LYS A 94 -14.235 -5.359 7.723 1.00 1.72 C ATOM 1481 C LYS A 94 -13.218 -5.135 8.842 1.00 1.32 C ATOM 1482 O LYS A 94 -12.270 -5.894 9.012 1.00 1.42 O ATOM 1483 CB LYS A 94 -15.472 -6.029 8.348 1.00 2.13 C ATOM 1484 CG LYS A 94 -16.526 -6.519 7.360 1.00 2.97 C ATOM 1485 CD LYS A 94 -17.169 -5.423 6.497 1.00 4.71 C ATOM 1486 CE LYS A 94 -17.652 -5.988 5.157 1.00 6.04 C ATOM 1487 NZ LYS A 94 -16.510 -6.152 4.226 1.00 6.74 N ATOM 0 H LYS A 94 -13.454 -7.107 6.928 1.00 1.53 H new ATOM 0 HA LYS A 94 -14.509 -4.403 7.277 1.00 1.72 H new ATOM 0 HB2 LYS A 94 -15.140 -6.877 8.948 1.00 2.13 H new ATOM 0 HB3 LYS A 94 -15.941 -5.320 9.030 1.00 2.13 H new ATOM 0 HG2 LYS A 94 -16.069 -7.257 6.701 1.00 2.97 H new ATOM 0 HG3 LYS A 94 -17.312 -7.031 7.915 1.00 2.97 H new ATOM 0 HD2 LYS A 94 -18.009 -4.980 7.032 1.00 4.71 H new ATOM 0 HD3 LYS A 94 -16.448 -4.625 6.320 1.00 4.71 H new ATOM 0 HE2 LYS A 94 -18.142 -6.949 5.315 1.00 6.04 H new ATOM 0 HE3 LYS A 94 -18.394 -5.320 4.719 1.00 6.04 H new ATOM 0 HZ1 LYS A 94 -16.826 -6.659 3.375 1.00 6.74 H new ATOM 0 HZ2 LYS A 94 -16.145 -5.216 3.956 1.00 6.74 H new ATOM 0 HZ3 LYS A 94 -15.757 -6.696 4.693 1.00 6.74 H new ATOM 1501 N ALA A 95 -13.462 -4.095 9.640 1.00 1.43 N ATOM 1502 CA ALA A 95 -12.623 -3.764 10.785 1.00 1.34 C ATOM 1503 C ALA A 95 -12.659 -4.935 11.776 1.00 1.31 C ATOM 1504 O ALA A 95 -13.732 -5.347 12.207 1.00 1.63 O ATOM 1505 CB ALA A 95 -13.089 -2.441 11.403 1.00 1.61 C ATOM 0 H ALA A 95 -14.249 -3.459 9.508 1.00 1.43 H new ATOM 0 HA ALA A 95 -11.586 -3.618 10.482 1.00 1.34 H new ATOM 0 HB1 ALA A 95 -12.459 -2.197 12.259 1.00 1.61 H new ATOM 0 HB2 ALA A 95 -13.015 -1.647 10.660 1.00 1.61 H new ATOM 0 HB3 ALA A 95 -14.124 -2.537 11.730 1.00 1.61 H new ATOM 1511 N GLY A 96 -11.487 -5.503 12.043 1.00 1.07 N ATOM 1512 CA GLY A 96 -11.298 -6.704 12.863 1.00 1.19 C ATOM 1513 C GLY A 96 -11.064 -7.999 12.077 1.00 1.24 C ATOM 1514 O GLY A 96 -10.863 -9.034 12.708 1.00 1.38 O ATOM 0 H GLY A 96 -10.609 -5.129 11.683 1.00 1.07 H new ATOM 0 HA2 GLY A 96 -10.449 -6.542 13.527 1.00 1.19 H new ATOM 0 HA3 GLY A 96 -12.176 -6.835 13.495 1.00 1.19 H new ATOM 1518 N GLU A 97 -11.060 -7.968 10.737 1.00 1.31 N ATOM 1519 CA GLU A 97 -10.457 -9.033 9.923 1.00 1.32 C ATOM 1520 C GLU A 97 -8.936 -8.819 9.806 1.00 1.24 C ATOM 1521 O GLU A 97 -8.367 -7.888 10.377 1.00 1.18 O ATOM 1522 CB GLU A 97 -11.125 -9.133 8.532 1.00 1.35 C ATOM 1523 CG GLU A 97 -12.594 -9.576 8.628 1.00 1.47 C ATOM 1524 CD GLU A 97 -13.260 -9.813 7.269 1.00 1.71 C ATOM 1525 OE1 GLU A 97 -13.152 -10.942 6.744 1.00 1.89 O ATOM 1526 OE2 GLU A 97 -13.911 -8.865 6.764 1.00 2.86 O ATOM 0 H GLU A 97 -11.471 -7.211 10.191 1.00 1.31 H new ATOM 0 HA GLU A 97 -10.630 -9.985 10.425 1.00 1.32 H new ATOM 0 HB2 GLU A 97 -11.070 -8.165 8.033 1.00 1.35 H new ATOM 0 HB3 GLU A 97 -10.572 -9.841 7.915 1.00 1.35 H new ATOM 0 HG2 GLU A 97 -12.649 -10.494 9.214 1.00 1.47 H new ATOM 0 HG3 GLU A 97 -13.158 -8.817 9.171 1.00 1.47 H new ATOM 1533 N GLU A 98 -8.265 -9.645 9.006 1.00 1.29 N ATOM 1534 CA GLU A 98 -6.841 -9.652 8.767 1.00 1.26 C ATOM 1535 C GLU A 98 -6.600 -10.296 7.404 1.00 1.11 C ATOM 1536 O GLU A 98 -7.361 -11.145 6.940 1.00 1.30 O ATOM 1537 CB GLU A 98 -6.057 -10.325 9.908 1.00 1.44 C ATOM 1538 CG GLU A 98 -6.374 -11.817 10.106 1.00 1.89 C ATOM 1539 CD GLU A 98 -5.617 -12.431 11.288 1.00 2.30 C ATOM 1540 OE1 GLU A 98 -4.564 -11.865 11.666 1.00 3.08 O ATOM 1541 OE2 GLU A 98 -6.098 -13.476 11.778 1.00 3.20 O ATOM 0 H GLU A 98 -8.744 -10.373 8.476 1.00 1.29 H new ATOM 0 HA GLU A 98 -6.460 -8.631 8.750 1.00 1.26 H new ATOM 0 HB2 GLU A 98 -4.990 -10.216 9.712 1.00 1.44 H new ATOM 0 HB3 GLU A 98 -6.266 -9.796 10.837 1.00 1.44 H new ATOM 0 HG2 GLU A 98 -7.446 -11.939 10.264 1.00 1.89 H new ATOM 0 HG3 GLU A 98 -6.122 -12.362 9.196 1.00 1.89 H new ATOM 1548 N VAL A 99 -5.583 -9.786 6.732 1.00 0.89 N ATOM 1549 CA VAL A 99 -5.335 -9.951 5.297 1.00 0.85 C ATOM 1550 C VAL A 99 -3.830 -9.944 5.024 1.00 0.78 C ATOM 1551 O VAL A 99 -3.103 -9.045 5.449 1.00 0.85 O ATOM 1552 CB VAL A 99 -6.056 -8.836 4.499 1.00 0.92 C ATOM 1553 CG1 VAL A 99 -5.577 -8.777 3.038 1.00 1.06 C ATOM 1554 CG2 VAL A 99 -7.586 -9.025 4.502 1.00 1.02 C ATOM 0 H VAL A 99 -4.869 -9.217 7.187 1.00 0.89 H new ATOM 0 HA VAL A 99 -5.735 -10.910 4.970 1.00 0.85 H new ATOM 0 HB VAL A 99 -5.805 -7.902 5.002 1.00 0.92 H new ATOM 0 HG11 VAL A 99 -6.107 -7.982 2.513 1.00 1.06 H new ATOM 0 HG12 VAL A 99 -4.506 -8.576 3.014 1.00 1.06 H new ATOM 0 HG13 VAL A 99 -5.778 -9.731 2.550 1.00 1.06 H new ATOM 0 HG21 VAL A 99 -8.053 -8.222 3.932 1.00 1.02 H new ATOM 0 HG22 VAL A 99 -7.835 -9.984 4.049 1.00 1.02 H new ATOM 0 HG23 VAL A 99 -7.953 -9.002 5.528 1.00 1.02 H new ATOM 1564 N GLU A 100 -3.371 -10.943 4.270 1.00 0.76 N ATOM 1565 CA GLU A 100 -1.976 -11.053 3.852 1.00 0.73 C ATOM 1566 C GLU A 100 -1.673 -10.123 2.666 1.00 0.66 C ATOM 1567 O GLU A 100 -2.466 -10.031 1.724 1.00 0.63 O ATOM 1568 CB GLU A 100 -1.621 -12.509 3.506 1.00 0.96 C ATOM 1569 CG GLU A 100 -1.974 -13.515 4.616 1.00 1.86 C ATOM 1570 CD GLU A 100 -0.968 -14.661 4.710 1.00 2.23 C ATOM 1571 OE1 GLU A 100 -0.455 -15.135 3.676 1.00 2.19 O ATOM 1572 OE2 GLU A 100 -0.556 -15.024 5.830 1.00 3.40 O ATOM 0 H GLU A 100 -3.961 -11.703 3.931 1.00 0.76 H new ATOM 0 HA GLU A 100 -1.354 -10.739 4.690 1.00 0.73 H new ATOM 0 HB2 GLU A 100 -2.143 -12.793 2.592 1.00 0.96 H new ATOM 0 HB3 GLU A 100 -0.553 -12.573 3.297 1.00 0.96 H new ATOM 0 HG2 GLU A 100 -2.017 -12.995 5.573 1.00 1.86 H new ATOM 0 HG3 GLU A 100 -2.968 -13.923 4.430 1.00 1.86 H new ATOM 1579 N LEU A 101 -0.505 -9.470 2.699 1.00 0.78 N ATOM 1580 CA LEU A 101 0.051 -8.686 1.589 1.00 0.86 C ATOM 1581 C LEU A 101 1.451 -9.196 1.220 1.00 0.84 C ATOM 1582 O LEU A 101 2.329 -9.338 2.069 1.00 0.90 O ATOM 1583 CB LEU A 101 0.135 -7.190 1.953 1.00 1.03 C ATOM 1584 CG LEU A 101 -1.049 -6.283 1.548 1.00 1.36 C ATOM 1585 CD1 LEU A 101 -1.111 -5.991 0.043 1.00 1.91 C ATOM 1586 CD2 LEU A 101 -2.418 -6.729 2.070 1.00 3.09 C ATOM 0 H LEU A 101 0.097 -9.472 3.522 1.00 0.78 H new ATOM 0 HA LEU A 101 -0.617 -8.804 0.735 1.00 0.86 H new ATOM 0 HB2 LEU A 101 0.261 -7.115 3.033 1.00 1.03 H new ATOM 0 HB3 LEU A 101 1.039 -6.785 1.498 1.00 1.03 H new ATOM 0 HG LEU A 101 -0.821 -5.349 2.061 1.00 1.36 H new ATOM 0 HD11 LEU A 101 -1.966 -5.349 -0.168 1.00 1.91 H new ATOM 0 HD12 LEU A 101 -0.195 -5.489 -0.268 1.00 1.91 H new ATOM 0 HD13 LEU A 101 -1.216 -6.927 -0.505 1.00 1.91 H new ATOM 0 HD21 LEU A 101 -3.182 -6.029 1.732 1.00 3.09 H new ATOM 0 HD22 LEU A 101 -2.645 -7.725 1.690 1.00 3.09 H new ATOM 0 HD23 LEU A 101 -2.402 -6.751 3.160 1.00 3.09 H new ATOM 1598 N ASP A 102 1.658 -9.390 -0.073 1.00 0.82 N ATOM 1599 CA ASP A 102 2.958 -9.587 -0.729 1.00 0.86 C ATOM 1600 C ASP A 102 3.461 -8.231 -1.239 1.00 0.92 C ATOM 1601 O ASP A 102 2.680 -7.460 -1.792 1.00 1.06 O ATOM 1602 CB ASP A 102 2.789 -10.517 -1.946 1.00 0.92 C ATOM 1603 CG ASP A 102 3.338 -11.939 -1.841 1.00 1.31 C ATOM 1604 OD1 ASP A 102 4.349 -12.152 -1.143 1.00 2.43 O ATOM 1605 OD2 ASP A 102 2.788 -12.797 -2.582 1.00 1.76 O ATOM 0 H ASP A 102 0.885 -9.417 -0.738 1.00 0.82 H new ATOM 0 HA ASP A 102 3.659 -10.023 -0.018 1.00 0.86 H new ATOM 0 HB2 ASP A 102 1.724 -10.585 -2.169 1.00 0.92 H new ATOM 0 HB3 ASP A 102 3.264 -10.037 -2.802 1.00 0.92 H new ATOM 1610 N LEU A 103 4.760 -7.965 -1.112 1.00 0.89 N ATOM 1611 CA LEU A 103 5.476 -6.845 -1.710 1.00 0.79 C ATOM 1612 C LEU A 103 6.348 -7.396 -2.853 1.00 0.76 C ATOM 1613 O LEU A 103 7.070 -8.378 -2.664 1.00 0.86 O ATOM 1614 CB LEU A 103 6.334 -6.171 -0.618 1.00 0.81 C ATOM 1615 CG LEU A 103 5.567 -5.376 0.465 1.00 0.90 C ATOM 1616 CD1 LEU A 103 4.717 -6.218 1.427 1.00 1.00 C ATOM 1617 CD2 LEU A 103 6.570 -4.583 1.320 1.00 1.04 C ATOM 0 H LEU A 103 5.374 -8.561 -0.557 1.00 0.89 H new ATOM 0 HA LEU A 103 4.793 -6.099 -2.116 1.00 0.79 H new ATOM 0 HB2 LEU A 103 6.924 -6.942 -0.122 1.00 0.81 H new ATOM 0 HB3 LEU A 103 7.037 -5.495 -1.105 1.00 0.81 H new ATOM 0 HG LEU A 103 4.878 -4.742 -0.094 1.00 0.90 H new ATOM 0 HD11 LEU A 103 4.223 -5.563 2.144 1.00 1.00 H new ATOM 0 HD12 LEU A 103 3.966 -6.769 0.861 1.00 1.00 H new ATOM 0 HD13 LEU A 103 5.358 -6.921 1.959 1.00 1.00 H new ATOM 0 HD21 LEU A 103 6.033 -4.022 2.084 1.00 1.04 H new ATOM 0 HD22 LEU A 103 7.266 -5.273 1.798 1.00 1.04 H new ATOM 0 HD23 LEU A 103 7.124 -3.892 0.684 1.00 1.04 H new ATOM 1629 N LEU A 104 6.281 -6.794 -4.049 1.00 0.68 N ATOM 1630 CA LEU A 104 6.993 -7.239 -5.256 1.00 0.70 C ATOM 1631 C LEU A 104 8.114 -6.256 -5.617 1.00 0.58 C ATOM 1632 O LEU A 104 7.871 -5.053 -5.776 1.00 0.62 O ATOM 1633 CB LEU A 104 5.997 -7.353 -6.428 1.00 0.73 C ATOM 1634 CG LEU A 104 4.836 -8.354 -6.256 1.00 0.81 C ATOM 1635 CD1 LEU A 104 4.025 -8.419 -7.560 1.00 0.84 C ATOM 1636 CD2 LEU A 104 5.297 -9.770 -5.889 1.00 0.99 C ATOM 0 H LEU A 104 5.714 -5.961 -4.208 1.00 0.68 H new ATOM 0 HA LEU A 104 7.441 -8.214 -5.061 1.00 0.70 H new ATOM 0 HB2 LEU A 104 5.571 -6.366 -6.610 1.00 0.73 H new ATOM 0 HB3 LEU A 104 6.555 -7.629 -7.323 1.00 0.73 H new ATOM 0 HG LEU A 104 4.231 -7.989 -5.426 1.00 0.81 H new ATOM 0 HD11 LEU A 104 3.203 -9.126 -7.443 1.00 0.84 H new ATOM 0 HD12 LEU A 104 3.625 -7.431 -7.789 1.00 0.84 H new ATOM 0 HD13 LEU A 104 4.671 -8.746 -8.374 1.00 0.84 H new ATOM 0 HD21 LEU A 104 4.428 -10.420 -5.784 1.00 0.99 H new ATOM 0 HD22 LEU A 104 5.946 -10.156 -6.675 1.00 0.99 H new ATOM 0 HD23 LEU A 104 5.845 -9.742 -4.947 1.00 0.99 H new ATOM 1648 N PHE A 105 9.338 -6.762 -5.784 1.00 0.53 N ATOM 1649 CA PHE A 105 10.552 -5.959 -5.949 1.00 0.56 C ATOM 1650 C PHE A 105 11.267 -6.222 -7.285 1.00 0.62 C ATOM 1651 O PHE A 105 11.224 -7.325 -7.838 1.00 0.84 O ATOM 1652 CB PHE A 105 11.500 -6.244 -4.776 1.00 0.60 C ATOM 1653 CG PHE A 105 10.941 -5.900 -3.410 1.00 0.60 C ATOM 1654 CD1 PHE A 105 10.216 -6.859 -2.676 1.00 1.99 C ATOM 1655 CD2 PHE A 105 11.148 -4.620 -2.865 1.00 1.71 C ATOM 1656 CE1 PHE A 105 9.699 -6.535 -1.416 1.00 2.02 C ATOM 1657 CE2 PHE A 105 10.631 -4.299 -1.601 1.00 1.68 C ATOM 1658 CZ PHE A 105 9.905 -5.258 -0.873 1.00 0.67 C ATOM 0 H PHE A 105 9.517 -7.766 -5.809 1.00 0.53 H new ATOM 0 HA PHE A 105 10.258 -4.910 -5.958 1.00 0.56 H new ATOM 0 HB2 PHE A 105 11.764 -7.301 -4.789 1.00 0.60 H new ATOM 0 HB3 PHE A 105 12.422 -5.683 -4.928 1.00 0.60 H new ATOM 0 HD1 PHE A 105 10.059 -7.846 -3.086 1.00 1.99 H new ATOM 0 HD2 PHE A 105 11.707 -3.882 -3.421 1.00 1.71 H new ATOM 0 HE1 PHE A 105 9.139 -7.272 -0.859 1.00 2.02 H new ATOM 0 HE2 PHE A 105 10.791 -3.314 -1.187 1.00 1.68 H new ATOM 0 HZ PHE A 105 9.507 -5.012 0.101 1.00 0.67 H new ATOM 1668 N ALA A 106 11.975 -5.198 -7.771 1.00 0.67 N ATOM 1669 CA ALA A 106 12.802 -5.266 -8.977 1.00 0.79 C ATOM 1670 C ALA A 106 13.900 -6.347 -8.889 1.00 1.43 C ATOM 1671 O ALA A 106 14.379 -6.702 -7.807 1.00 2.06 O ATOM 1672 CB ALA A 106 13.386 -3.872 -9.254 1.00 0.93 C ATOM 0 H ALA A 106 11.989 -4.280 -7.327 1.00 0.67 H new ATOM 0 HA ALA A 106 12.173 -5.569 -9.814 1.00 0.79 H new ATOM 0 HB1 ALA A 106 14.005 -3.908 -10.151 1.00 0.93 H new ATOM 0 HB2 ALA A 106 12.574 -3.160 -9.402 1.00 0.93 H new ATOM 0 HB3 ALA A 106 13.994 -3.557 -8.406 1.00 0.93 H new ATOM 1678 N GLY A 107 14.297 -6.891 -10.047 1.00 2.11 N ATOM 1679 CA GLY A 107 15.381 -7.880 -10.155 1.00 2.92 C ATOM 1680 C GLY A 107 15.041 -9.268 -9.599 1.00 2.53 C ATOM 1681 O GLY A 107 15.959 -10.032 -9.307 1.00 3.42 O ATOM 0 H GLY A 107 13.872 -6.656 -10.944 1.00 2.11 H new ATOM 0 HA2 GLY A 107 15.658 -7.982 -11.204 1.00 2.92 H new ATOM 0 HA3 GLY A 107 16.256 -7.498 -9.630 1.00 2.92 H new ATOM 1685 N GLY A 108 13.756 -9.585 -9.392 1.00 1.55 N ATOM 1686 CA GLY A 108 13.274 -10.901 -8.952 1.00 1.51 C ATOM 1687 C GLY A 108 13.413 -11.128 -7.446 1.00 1.53 C ATOM 1688 O GLY A 108 14.342 -11.803 -7.008 1.00 2.26 O ATOM 0 H GLY A 108 13.001 -8.913 -9.530 1.00 1.55 H new ATOM 0 HA2 GLY A 108 12.226 -11.008 -9.233 1.00 1.51 H new ATOM 0 HA3 GLY A 108 13.827 -11.677 -9.481 1.00 1.51 H new ATOM 1692 N LYS A 109 12.501 -10.548 -6.659 1.00 1.06 N ATOM 1693 CA LYS A 109 12.367 -10.632 -5.203 1.00 0.99 C ATOM 1694 C LYS A 109 10.899 -10.434 -4.774 1.00 0.89 C ATOM 1695 O LYS A 109 10.207 -9.591 -5.342 1.00 0.83 O ATOM 1696 CB LYS A 109 13.267 -9.535 -4.613 1.00 0.90 C ATOM 1697 CG LYS A 109 14.643 -10.081 -4.239 1.00 1.36 C ATOM 1698 CD LYS A 109 15.782 -9.066 -4.426 1.00 1.59 C ATOM 1699 CE LYS A 109 16.098 -8.807 -5.910 1.00 2.38 C ATOM 1700 NZ LYS A 109 16.559 -10.038 -6.603 1.00 3.47 N ATOM 0 H LYS A 109 11.774 -9.956 -7.061 1.00 1.06 H new ATOM 0 HA LYS A 109 12.667 -11.615 -4.840 1.00 0.99 H new ATOM 0 HB2 LYS A 109 13.379 -8.727 -5.336 1.00 0.90 H new ATOM 0 HB3 LYS A 109 12.791 -9.109 -3.730 1.00 0.90 H new ATOM 0 HG2 LYS A 109 14.625 -10.406 -3.199 1.00 1.36 H new ATOM 0 HG3 LYS A 109 14.851 -10.963 -4.845 1.00 1.36 H new ATOM 0 HD2 LYS A 109 15.510 -8.126 -3.946 1.00 1.59 H new ATOM 0 HD3 LYS A 109 16.678 -9.433 -3.925 1.00 1.59 H new ATOM 0 HE2 LYS A 109 15.208 -8.422 -6.408 1.00 2.38 H new ATOM 0 HE3 LYS A 109 16.866 -8.037 -5.988 1.00 2.38 H new ATOM 0 HZ1 LYS A 109 16.826 -9.807 -7.581 1.00 3.47 H new ATOM 0 HZ2 LYS A 109 17.382 -10.430 -6.103 1.00 3.47 H new ATOM 0 HZ3 LYS A 109 15.792 -10.740 -6.610 1.00 3.47 H new ATOM 1714 N VAL A 110 10.444 -11.191 -3.772 1.00 1.02 N ATOM 1715 CA VAL A 110 9.074 -11.173 -3.226 1.00 0.93 C ATOM 1716 C VAL A 110 9.169 -11.267 -1.697 1.00 0.99 C ATOM 1717 O VAL A 110 10.105 -11.896 -1.195 1.00 1.15 O ATOM 1718 CB VAL A 110 8.220 -12.345 -3.779 1.00 1.03 C ATOM 1719 CG1 VAL A 110 6.790 -12.380 -3.211 1.00 2.00 C ATOM 1720 CG2 VAL A 110 8.124 -12.293 -5.316 1.00 1.59 C ATOM 0 H VAL A 110 11.043 -11.865 -3.295 1.00 1.02 H new ATOM 0 HA VAL A 110 8.582 -10.248 -3.527 1.00 0.93 H new ATOM 0 HB VAL A 110 8.740 -13.248 -3.458 1.00 1.03 H new ATOM 0 HG11 VAL A 110 6.249 -13.224 -3.640 1.00 2.00 H new ATOM 0 HG12 VAL A 110 6.832 -12.488 -2.127 1.00 2.00 H new ATOM 0 HG13 VAL A 110 6.275 -11.453 -3.463 1.00 2.00 H new ATOM 0 HG21 VAL A 110 7.519 -13.127 -5.671 1.00 1.59 H new ATOM 0 HG22 VAL A 110 7.661 -11.354 -5.620 1.00 1.59 H new ATOM 0 HG23 VAL A 110 9.124 -12.361 -5.745 1.00 1.59 H new ATOM 1730 N LEU A 111 8.233 -10.646 -0.967 1.00 0.92 N ATOM 1731 CA LEU A 111 8.225 -10.616 0.500 1.00 0.99 C ATOM 1732 C LEU A 111 6.786 -10.515 1.031 1.00 0.96 C ATOM 1733 O LEU A 111 6.114 -9.511 0.815 1.00 1.28 O ATOM 1734 CB LEU A 111 9.098 -9.421 0.938 1.00 1.04 C ATOM 1735 CG LEU A 111 9.662 -9.453 2.369 1.00 1.22 C ATOM 1736 CD1 LEU A 111 10.632 -8.268 2.511 1.00 2.65 C ATOM 1737 CD2 LEU A 111 8.580 -9.358 3.454 1.00 2.32 C ATOM 0 H LEU A 111 7.450 -10.144 -1.385 1.00 0.92 H new ATOM 0 HA LEU A 111 8.635 -11.536 0.916 1.00 0.99 H new ATOM 0 HB2 LEU A 111 9.936 -9.343 0.246 1.00 1.04 H new ATOM 0 HB3 LEU A 111 8.507 -8.512 0.827 1.00 1.04 H new ATOM 0 HG LEU A 111 10.158 -10.413 2.516 1.00 1.22 H new ATOM 0 HD11 LEU A 111 11.052 -8.260 3.517 1.00 2.65 H new ATOM 0 HD12 LEU A 111 11.437 -8.367 1.783 1.00 2.65 H new ATOM 0 HD13 LEU A 111 10.096 -7.336 2.334 1.00 2.65 H new ATOM 0 HD21 LEU A 111 9.048 -9.386 4.438 1.00 2.32 H new ATOM 0 HD22 LEU A 111 8.031 -8.423 3.340 1.00 2.32 H new ATOM 0 HD23 LEU A 111 7.891 -10.197 3.355 1.00 2.32 H new ATOM 1749 N LYS A 112 6.317 -11.527 1.769 1.00 0.87 N ATOM 1750 CA LYS A 112 4.958 -11.539 2.326 1.00 0.91 C ATOM 1751 C LYS A 112 4.901 -11.030 3.780 1.00 0.94 C ATOM 1752 O LYS A 112 5.512 -11.626 4.667 1.00 1.26 O ATOM 1753 CB LYS A 112 4.371 -12.954 2.165 1.00 1.10 C ATOM 1754 CG LYS A 112 2.853 -12.993 2.414 1.00 1.76 C ATOM 1755 CD LYS A 112 2.473 -13.492 3.815 1.00 2.80 C ATOM 1756 CE LYS A 112 2.690 -15.007 3.913 1.00 2.62 C ATOM 1757 NZ LYS A 112 1.947 -15.581 5.056 1.00 3.98 N ATOM 0 H LYS A 112 6.864 -12.357 1.997 1.00 0.87 H new ATOM 0 HA LYS A 112 4.342 -10.834 1.768 1.00 0.91 H new ATOM 0 HB2 LYS A 112 4.581 -13.319 1.159 1.00 1.10 H new ATOM 0 HB3 LYS A 112 4.868 -13.631 2.860 1.00 1.10 H new ATOM 0 HG2 LYS A 112 2.444 -11.993 2.270 1.00 1.76 H new ATOM 0 HG3 LYS A 112 2.387 -13.638 1.669 1.00 1.76 H new ATOM 0 HD2 LYS A 112 3.075 -12.981 4.567 1.00 2.80 H new ATOM 0 HD3 LYS A 112 1.431 -13.252 4.024 1.00 2.80 H new ATOM 0 HE2 LYS A 112 2.365 -15.484 2.988 1.00 2.62 H new ATOM 0 HE3 LYS A 112 3.754 -15.218 4.024 1.00 2.62 H new ATOM 0 HZ1 LYS A 112 2.620 -15.912 5.777 1.00 3.98 H new ATOM 0 HZ2 LYS A 112 1.328 -14.854 5.468 1.00 3.98 H new ATOM 0 HZ3 LYS A 112 1.370 -16.382 4.728 1.00 3.98 H new ATOM 1771 N VAL A 113 4.109 -9.983 4.029 1.00 0.83 N ATOM 1772 CA VAL A 113 3.673 -9.501 5.357 1.00 0.88 C ATOM 1773 C VAL A 113 2.199 -9.873 5.612 1.00 0.76 C ATOM 1774 O VAL A 113 1.525 -10.402 4.729 1.00 0.77 O ATOM 1775 CB VAL A 113 3.877 -7.970 5.506 1.00 1.05 C ATOM 1776 CG1 VAL A 113 5.365 -7.589 5.437 1.00 1.61 C ATOM 1777 CG2 VAL A 113 3.070 -7.152 4.490 1.00 2.28 C ATOM 0 H VAL A 113 3.730 -9.413 3.273 1.00 0.83 H new ATOM 0 HA VAL A 113 4.295 -9.993 6.105 1.00 0.88 H new ATOM 0 HB VAL A 113 3.495 -7.717 6.495 1.00 1.05 H new ATOM 0 HG11 VAL A 113 5.470 -6.509 5.545 1.00 1.61 H new ATOM 0 HG12 VAL A 113 5.906 -8.088 6.241 1.00 1.61 H new ATOM 0 HG13 VAL A 113 5.776 -7.899 4.476 1.00 1.61 H new ATOM 0 HG21 VAL A 113 3.257 -6.090 4.648 1.00 2.28 H new ATOM 0 HG22 VAL A 113 3.372 -7.427 3.479 1.00 2.28 H new ATOM 0 HG23 VAL A 113 2.007 -7.357 4.620 1.00 2.28 H new ATOM 1787 N VAL A 114 1.685 -9.579 6.809 1.00 0.92 N ATOM 1788 CA VAL A 114 0.256 -9.740 7.161 1.00 0.90 C ATOM 1789 C VAL A 114 -0.200 -8.540 7.989 1.00 0.91 C ATOM 1790 O VAL A 114 0.497 -8.147 8.925 1.00 1.15 O ATOM 1791 CB VAL A 114 -0.023 -11.052 7.943 1.00 1.11 C ATOM 1792 CG1 VAL A 114 -1.537 -11.264 8.125 1.00 1.94 C ATOM 1793 CG2 VAL A 114 0.585 -12.281 7.246 1.00 1.37 C ATOM 0 H VAL A 114 2.250 -9.217 7.577 1.00 0.92 H new ATOM 0 HA VAL A 114 -0.306 -9.797 6.229 1.00 0.90 H new ATOM 0 HB VAL A 114 0.452 -10.945 8.918 1.00 1.11 H new ATOM 0 HG11 VAL A 114 -1.711 -12.189 8.675 1.00 1.94 H new ATOM 0 HG12 VAL A 114 -1.957 -10.426 8.681 1.00 1.94 H new ATOM 0 HG13 VAL A 114 -2.016 -11.328 7.148 1.00 1.94 H new ATOM 0 HG21 VAL A 114 0.365 -13.176 7.828 1.00 1.37 H new ATOM 0 HG22 VAL A 114 0.157 -12.383 6.249 1.00 1.37 H new ATOM 0 HG23 VAL A 114 1.665 -12.157 7.166 1.00 1.37 H new ATOM 1803 N LEU A 115 -1.347 -7.949 7.638 1.00 0.84 N ATOM 1804 CA LEU A 115 -1.931 -6.766 8.277 1.00 0.88 C ATOM 1805 C LEU A 115 -3.375 -7.078 8.730 1.00 0.78 C ATOM 1806 O LEU A 115 -4.082 -7.813 8.031 1.00 0.78 O ATOM 1807 CB LEU A 115 -1.997 -5.584 7.285 1.00 1.13 C ATOM 1808 CG LEU A 115 -0.701 -5.034 6.653 1.00 1.36 C ATOM 1809 CD1 LEU A 115 0.496 -4.992 7.612 1.00 3.02 C ATOM 1810 CD2 LEU A 115 -0.328 -5.783 5.368 1.00 1.61 C ATOM 0 H LEU A 115 -1.918 -8.297 6.868 1.00 0.84 H new ATOM 0 HA LEU A 115 -1.303 -6.502 9.128 1.00 0.88 H new ATOM 0 HB2 LEU A 115 -2.655 -5.882 6.469 1.00 1.13 H new ATOM 0 HB3 LEU A 115 -2.484 -4.756 7.800 1.00 1.13 H new ATOM 0 HG LEU A 115 -0.934 -3.999 6.404 1.00 1.36 H new ATOM 0 HD11 LEU A 115 1.366 -4.593 7.091 1.00 3.02 H new ATOM 0 HD12 LEU A 115 0.259 -4.353 8.463 1.00 3.02 H new ATOM 0 HD13 LEU A 115 0.715 -6.000 7.965 1.00 3.02 H new ATOM 0 HD21 LEU A 115 0.590 -5.364 4.956 1.00 1.61 H new ATOM 0 HD22 LEU A 115 -0.176 -6.839 5.593 1.00 1.61 H new ATOM 0 HD23 LEU A 115 -1.133 -5.680 4.640 1.00 1.61 H new ATOM 1822 N PRO A 116 -3.874 -6.446 9.809 1.00 0.81 N ATOM 1823 CA PRO A 116 -5.302 -6.397 10.092 1.00 0.84 C ATOM 1824 C PRO A 116 -6.041 -5.600 9.009 1.00 0.79 C ATOM 1825 O PRO A 116 -5.471 -4.748 8.328 1.00 0.79 O ATOM 1826 CB PRO A 116 -5.425 -5.734 11.467 1.00 1.01 C ATOM 1827 CG PRO A 116 -4.200 -4.822 11.519 1.00 1.03 C ATOM 1828 CD PRO A 116 -3.144 -5.627 10.767 1.00 0.91 C ATOM 0 HA PRO A 116 -5.754 -7.389 10.094 1.00 0.84 H new ATOM 0 HB2 PRO A 116 -6.353 -5.170 11.562 1.00 1.01 H new ATOM 0 HB3 PRO A 116 -5.416 -6.469 12.272 1.00 1.01 H new ATOM 0 HG2 PRO A 116 -4.391 -3.861 11.042 1.00 1.03 H new ATOM 0 HG3 PRO A 116 -3.895 -4.613 12.544 1.00 1.03 H new ATOM 0 HD2 PRO A 116 -2.438 -4.969 10.260 1.00 0.91 H new ATOM 0 HD3 PRO A 116 -2.566 -6.248 11.451 1.00 0.91 H new ATOM 1836 N VAL A 117 -7.344 -5.820 8.887 1.00 0.86 N ATOM 1837 CA VAL A 117 -8.261 -4.842 8.299 1.00 0.84 C ATOM 1838 C VAL A 117 -8.775 -3.979 9.459 1.00 0.77 C ATOM 1839 O VAL A 117 -9.153 -4.520 10.499 1.00 0.74 O ATOM 1840 CB VAL A 117 -9.443 -5.535 7.603 1.00 0.94 C ATOM 1841 CG1 VAL A 117 -10.343 -4.506 6.896 1.00 1.01 C ATOM 1842 CG2 VAL A 117 -9.046 -6.622 6.594 1.00 1.03 C ATOM 0 H VAL A 117 -7.799 -6.681 9.192 1.00 0.86 H new ATOM 0 HA VAL A 117 -7.749 -4.246 7.544 1.00 0.84 H new ATOM 0 HB VAL A 117 -9.981 -6.035 8.409 1.00 0.94 H new ATOM 0 HG11 VAL A 117 -11.172 -5.021 6.411 1.00 1.01 H new ATOM 0 HG12 VAL A 117 -10.733 -3.800 7.629 1.00 1.01 H new ATOM 0 HG13 VAL A 117 -9.762 -3.968 6.147 1.00 1.01 H new ATOM 0 HG21 VAL A 117 -9.944 -7.055 6.153 1.00 1.03 H new ATOM 0 HG22 VAL A 117 -8.432 -6.182 5.808 1.00 1.03 H new ATOM 0 HG23 VAL A 117 -8.480 -7.402 7.103 1.00 1.03 H new ATOM 1852 N GLU A 118 -8.810 -2.656 9.295 1.00 0.87 N ATOM 1853 CA GLU A 118 -9.258 -1.722 10.341 1.00 0.80 C ATOM 1854 C GLU A 118 -10.175 -0.632 9.775 1.00 0.98 C ATOM 1855 O GLU A 118 -10.406 -0.548 8.562 1.00 1.29 O ATOM 1856 CB GLU A 118 -8.053 -1.126 11.107 1.00 0.93 C ATOM 1857 CG GLU A 118 -7.861 -1.756 12.498 1.00 1.66 C ATOM 1858 CD GLU A 118 -9.022 -1.500 13.473 1.00 2.75 C ATOM 1859 OE1 GLU A 118 -9.919 -0.696 13.126 1.00 3.31 O ATOM 1860 OE2 GLU A 118 -9.020 -2.143 14.542 1.00 3.82 O ATOM 0 H GLU A 118 -8.528 -2.195 8.430 1.00 0.87 H new ATOM 0 HA GLU A 118 -9.852 -2.288 11.058 1.00 0.80 H new ATOM 0 HB2 GLU A 118 -7.147 -1.271 10.519 1.00 0.93 H new ATOM 0 HB3 GLU A 118 -8.193 -0.051 11.216 1.00 0.93 H new ATOM 0 HG2 GLU A 118 -7.730 -2.832 12.382 1.00 1.66 H new ATOM 0 HG3 GLU A 118 -6.941 -1.368 12.936 1.00 1.66 H new ATOM 1867 N ALA A 119 -10.729 0.199 10.661 1.00 1.15 N ATOM 1868 CA ALA A 119 -11.768 1.179 10.369 1.00 1.43 C ATOM 1869 C ALA A 119 -11.237 2.462 9.697 1.00 1.61 C ATOM 1870 O ALA A 119 -11.579 3.571 10.115 1.00 2.43 O ATOM 1871 CB ALA A 119 -12.528 1.437 11.682 1.00 2.10 C ATOM 0 H ALA A 119 -10.451 0.204 11.642 1.00 1.15 H new ATOM 0 HA ALA A 119 -12.452 0.782 9.619 1.00 1.43 H new ATOM 0 HB1 ALA A 119 -13.318 2.168 11.508 1.00 2.10 H new ATOM 0 HB2 ALA A 119 -12.968 0.505 12.037 1.00 2.10 H new ATOM 0 HB3 ALA A 119 -11.837 1.821 12.433 1.00 2.10 H new ATOM 1877 N ARG A 120 -10.536 2.266 8.572 1.00 1.93 N ATOM 1878 CA ARG A 120 -10.171 3.181 7.465 1.00 2.74 C ATOM 1879 C ARG A 120 -8.716 3.646 7.484 1.00 3.59 C ATOM 1880 O ARG A 120 -8.217 4.200 8.474 1.00 4.30 O ATOM 1881 CB ARG A 120 -11.142 4.359 7.258 1.00 3.35 C ATOM 1882 CG ARG A 120 -12.563 3.902 6.871 1.00 4.84 C ATOM 1883 CD ARG A 120 -13.692 4.357 7.811 1.00 5.98 C ATOM 1884 NE ARG A 120 -13.790 5.824 7.955 1.00 6.43 N ATOM 1885 CZ ARG A 120 -13.377 6.546 8.982 1.00 6.46 C ATOM 1886 NH1 ARG A 120 -12.719 6.065 9.995 1.00 6.18 N ATOM 1887 NH2 ARG A 120 -13.629 7.823 9.016 1.00 7.43 N ATOM 1888 OXT ARG A 120 -8.109 3.495 6.407 1.00 4.59 O ATOM 0 H ARG A 120 -10.157 1.337 8.386 1.00 1.93 H new ATOM 0 HA ARG A 120 -10.278 2.546 6.586 1.00 2.74 H new ATOM 0 HB2 ARG A 120 -11.192 4.948 8.174 1.00 3.35 H new ATOM 0 HB3 ARG A 120 -10.751 5.013 6.479 1.00 3.35 H new ATOM 0 HG2 ARG A 120 -12.781 4.268 5.868 1.00 4.84 H new ATOM 0 HG3 ARG A 120 -12.573 2.813 6.822 1.00 4.84 H new ATOM 0 HD2 ARG A 120 -14.641 3.973 7.437 1.00 5.98 H new ATOM 0 HD3 ARG A 120 -13.535 3.914 8.794 1.00 5.98 H new ATOM 0 HE ARG A 120 -14.221 6.332 7.182 1.00 6.43 H new ATOM 0 HH11 ARG A 120 -12.491 5.071 10.030 1.00 6.18 H new ATOM 0 HH12 ARG A 120 -12.431 6.681 10.755 1.00 6.18 H new ATOM 0 HH21 ARG A 120 -14.143 8.262 8.252 1.00 7.43 H new ATOM 0 HH22 ARG A 120 -13.312 8.384 9.807 1.00 7.43 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -5.961 4.764 -4.548 1.00 0.59 CU