USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 926 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 HIS : no HD1:sc= -0.94 K(o=-0.023,f=-1.7!) USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.918 K(o=-0.023,f=-4.3!) USER MOD Single : A 11 SER OG : rot 63:sc= 1.26 USER MOD Single : A 15 ASN : amide:sc= -0.463 X(o=-0.46,f=-0.094) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 85:sc= 1.16 USER MOD Single : A 24 ASN : amide:sc= -0.109 K(o=-0.11,f=-7.2!) USER MOD Single : A 37 THR OG1 : rot 85:sc= 0.226 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -145:sc= 0.867 (180deg=-2.38!) USER MOD Single : A 57 LYS NZ :NH3+ -162:sc= 0.876 (180deg=0.662) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -168:sc= -0.114 (180deg=-0.343) USER MOD Single : A 72 LYS NZ :NH3+ 136:sc= 0.483 (180deg=0.0243!) USER MOD Single : A 78 LYS NZ :NH3+ 152:sc= 1.71 (180deg=-0.0396!) 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+ 150:sc= 1.14 (180deg=-0.377) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 145:sc= 0.323 (180deg=-1.36) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 9.837 1.916 5.850 1.00 1.28 N ATOM 56 CA GLU A 5 9.011 2.218 7.033 1.00 1.41 C ATOM 57 C GLU A 5 7.531 1.849 6.788 1.00 1.22 C ATOM 58 O GLU A 5 6.658 2.711 6.683 1.00 1.53 O ATOM 59 CB GLU A 5 9.181 3.703 7.441 1.00 2.76 C ATOM 60 CG GLU A 5 10.619 4.125 7.789 1.00 3.26 C ATOM 61 CD GLU A 5 10.762 5.622 8.094 1.00 4.35 C ATOM 62 OE1 GLU A 5 10.056 6.464 7.494 1.00 5.10 O ATOM 63 OE2 GLU A 5 11.673 6.000 8.860 1.00 5.12 O ATOM 0 HA GLU A 5 9.355 1.604 7.865 1.00 1.41 H new ATOM 0 HB2 GLU A 5 8.822 4.331 6.625 1.00 2.76 H new ATOM 0 HB3 GLU A 5 8.542 3.902 8.301 1.00 2.76 H new ATOM 0 HG2 GLU A 5 10.958 3.553 8.652 1.00 3.26 H new ATOM 0 HG3 GLU A 5 11.276 3.867 6.958 1.00 3.26 H new ATOM 70 N GLY A 6 7.231 0.556 6.622 1.00 1.08 N ATOM 71 CA GLY A 6 5.883 0.053 6.316 1.00 1.01 C ATOM 72 C GLY A 6 5.472 -1.220 7.053 1.00 0.88 C ATOM 73 O GLY A 6 6.280 -1.864 7.714 1.00 1.11 O ATOM 0 H GLY A 6 7.928 -0.184 6.697 1.00 1.08 H new ATOM 0 HA2 GLY A 6 5.161 0.836 6.549 1.00 1.01 H new ATOM 0 HA3 GLY A 6 5.818 -0.132 5.244 1.00 1.01 H new ATOM 77 N TRP A 7 4.201 -1.597 6.907 1.00 0.82 N ATOM 78 CA TRP A 7 3.587 -2.763 7.540 1.00 0.77 C ATOM 79 C TRP A 7 2.378 -3.302 6.740 1.00 0.67 C ATOM 80 O TRP A 7 2.025 -2.787 5.674 1.00 0.76 O ATOM 81 CB TRP A 7 3.228 -2.415 8.999 1.00 1.00 C ATOM 82 CG TRP A 7 2.046 -1.515 9.213 1.00 1.07 C ATOM 83 CD1 TRP A 7 0.831 -1.911 9.653 1.00 1.11 C ATOM 84 CD2 TRP A 7 1.936 -0.071 9.025 1.00 1.52 C ATOM 85 NE1 TRP A 7 -0.012 -0.830 9.774 1.00 1.39 N ATOM 86 CE2 TRP A 7 0.600 0.332 9.342 1.00 1.71 C ATOM 87 CE3 TRP A 7 2.829 0.944 8.617 1.00 2.03 C ATOM 88 CZ2 TRP A 7 0.165 1.657 9.194 1.00 2.34 C ATOM 89 CZ3 TRP A 7 2.398 2.270 8.441 1.00 2.68 C ATOM 90 CH2 TRP A 7 1.068 2.625 8.713 1.00 2.83 C ATOM 0 H TRP A 7 3.547 -1.078 6.322 1.00 0.82 H new ATOM 0 HA TRP A 7 4.308 -3.581 7.545 1.00 0.77 H new ATOM 0 HB2 TRP A 7 3.046 -3.347 9.535 1.00 1.00 H new ATOM 0 HB3 TRP A 7 4.098 -1.947 9.460 1.00 1.00 H new ATOM 0 HD1 TRP A 7 0.560 -2.932 9.878 1.00 1.11 H new ATOM 0 HE1 TRP A 7 -0.965 -0.880 10.135 1.00 1.39 H new ATOM 0 HE3 TRP A 7 3.865 0.696 8.436 1.00 2.03 H new ATOM 0 HZ2 TRP A 7 -0.849 1.931 9.445 1.00 2.34 H new ATOM 0 HZ3 TRP A 7 3.094 3.020 8.095 1.00 2.68 H new ATOM 0 HH2 TRP A 7 0.737 3.640 8.554 1.00 2.83 H new ATOM 101 N VAL A 8 1.739 -4.360 7.244 1.00 0.97 N ATOM 102 CA VAL A 8 0.429 -4.856 6.753 1.00 1.12 C ATOM 103 C VAL A 8 -0.598 -4.845 7.895 1.00 1.30 C ATOM 104 O VAL A 8 -0.231 -5.110 9.033 1.00 1.55 O ATOM 105 CB VAL A 8 0.535 -6.270 6.129 1.00 1.21 C ATOM 106 CG1 VAL A 8 -0.769 -6.655 5.402 1.00 1.43 C ATOM 107 CG2 VAL A 8 1.692 -6.362 5.116 1.00 1.13 C ATOM 0 H VAL A 8 2.113 -4.912 8.016 1.00 0.97 H new ATOM 0 HA VAL A 8 0.097 -4.183 5.962 1.00 1.12 H new ATOM 0 HB VAL A 8 0.721 -6.956 6.955 1.00 1.21 H new ATOM 0 HG11 VAL A 8 -0.666 -7.652 4.974 1.00 1.43 H new ATOM 0 HG12 VAL A 8 -1.597 -6.648 6.111 1.00 1.43 H new ATOM 0 HG13 VAL A 8 -0.967 -5.937 4.606 1.00 1.43 H new ATOM 0 HG21 VAL A 8 1.733 -7.369 4.701 1.00 1.13 H new ATOM 0 HG22 VAL A 8 1.529 -5.644 4.312 1.00 1.13 H new ATOM 0 HG23 VAL A 8 2.633 -6.138 5.618 1.00 1.13 H new ATOM 117 N ARG A 9 -1.867 -4.549 7.578 1.00 1.31 N ATOM 118 CA ARG A 9 -3.000 -4.386 8.516 1.00 1.52 C ATOM 119 C ARG A 9 -3.510 -5.682 9.178 1.00 1.67 C ATOM 120 O ARG A 9 -4.163 -5.603 10.215 1.00 3.04 O ATOM 121 CB ARG A 9 -4.148 -3.727 7.714 1.00 1.63 C ATOM 122 CG ARG A 9 -5.510 -3.558 8.417 1.00 1.83 C ATOM 123 CD ARG A 9 -5.456 -2.699 9.686 1.00 2.71 C ATOM 124 NE ARG A 9 -5.745 -1.284 9.399 1.00 3.38 N ATOM 125 CZ ARG A 9 -4.890 -0.335 9.031 1.00 4.71 C ATOM 126 NH1 ARG A 9 -3.587 -0.487 8.982 1.00 5.82 N ATOM 127 NH2 ARG A 9 -5.373 0.838 8.697 1.00 5.74 N ATOM 0 H ARG A 9 -2.152 -4.408 6.609 1.00 1.31 H new ATOM 0 HA ARG A 9 -2.646 -3.780 9.350 1.00 1.52 H new ATOM 0 HB2 ARG A 9 -3.811 -2.741 7.395 1.00 1.63 H new ATOM 0 HB3 ARG A 9 -4.308 -4.317 6.811 1.00 1.63 H new ATOM 0 HG2 ARG A 9 -6.215 -3.110 7.717 1.00 1.83 H new ATOM 0 HG3 ARG A 9 -5.899 -4.543 8.674 1.00 1.83 H new ATOM 0 HD2 ARG A 9 -6.175 -3.077 10.412 1.00 2.71 H new ATOM 0 HD3 ARG A 9 -4.469 -2.784 10.141 1.00 2.71 H new ATOM 0 HE ARG A 9 -6.719 -0.997 9.494 1.00 3.38 H new ATOM 0 HH11 ARG A 9 -3.168 -1.381 9.237 1.00 5.82 H new ATOM 0 HH12 ARG A 9 -2.994 0.289 8.689 1.00 5.82 H new ATOM 0 HH21 ARG A 9 -6.379 1.002 8.724 1.00 5.74 H new ATOM 0 HH22 ARG A 9 -4.742 1.586 8.410 1.00 5.74 H new ATOM 141 N PHE A 10 -3.310 -6.825 8.505 1.00 1.03 N ATOM 142 CA PHE A 10 -3.863 -8.172 8.743 1.00 0.99 C ATOM 143 C PHE A 10 -5.179 -8.399 7.976 1.00 1.08 C ATOM 144 O PHE A 10 -5.995 -7.494 7.806 1.00 1.26 O ATOM 145 CB PHE A 10 -4.042 -8.548 10.233 1.00 0.99 C ATOM 146 CG PHE A 10 -4.523 -9.971 10.457 1.00 1.19 C ATOM 147 CD1 PHE A 10 -3.661 -11.048 10.190 1.00 2.62 C ATOM 148 CD2 PHE A 10 -5.849 -10.224 10.860 1.00 2.07 C ATOM 149 CE1 PHE A 10 -4.125 -12.370 10.302 1.00 2.99 C ATOM 150 CE2 PHE A 10 -6.312 -11.547 10.974 1.00 2.11 C ATOM 151 CZ PHE A 10 -5.453 -12.622 10.687 1.00 1.92 C ATOM 0 H PHE A 10 -2.691 -6.832 7.694 1.00 1.03 H new ATOM 0 HA PHE A 10 -3.098 -8.843 8.353 1.00 0.99 H new ATOM 0 HB2 PHE A 10 -3.091 -8.411 10.748 1.00 0.99 H new ATOM 0 HB3 PHE A 10 -4.753 -7.859 10.688 1.00 0.99 H new ATOM 0 HD1 PHE A 10 -2.639 -10.859 9.898 1.00 2.62 H new ATOM 0 HD2 PHE A 10 -6.511 -9.400 11.082 1.00 2.07 H new ATOM 0 HE1 PHE A 10 -3.459 -13.194 10.092 1.00 2.99 H new ATOM 0 HE2 PHE A 10 -7.329 -11.737 11.283 1.00 2.11 H new ATOM 0 HZ PHE A 10 -5.812 -13.638 10.762 1.00 1.92 H new ATOM 161 N SER A 11 -5.388 -9.649 7.557 1.00 1.05 N ATOM 162 CA SER A 11 -6.636 -10.319 7.151 1.00 1.01 C ATOM 163 C SER A 11 -6.326 -11.796 6.832 1.00 1.01 C ATOM 164 O SER A 11 -5.243 -12.065 6.310 1.00 1.18 O ATOM 165 CB SER A 11 -7.289 -9.669 5.926 1.00 1.29 C ATOM 166 OG SER A 11 -7.899 -8.445 6.278 1.00 2.52 O ATOM 0 H SER A 11 -4.600 -10.293 7.484 1.00 1.05 H new ATOM 0 HA SER A 11 -7.340 -10.230 7.978 1.00 1.01 H new ATOM 0 HB2 SER A 11 -6.538 -9.499 5.155 1.00 1.29 H new ATOM 0 HB3 SER A 11 -8.033 -10.344 5.503 1.00 1.29 H new ATOM 0 HG SER A 11 -7.215 -7.816 6.590 1.00 2.52 H new ATOM 172 N PRO A 12 -7.234 -12.749 7.126 1.00 1.01 N ATOM 173 CA PRO A 12 -7.028 -14.159 6.808 1.00 1.10 C ATOM 174 C PRO A 12 -7.299 -14.458 5.326 1.00 0.95 C ATOM 175 O PRO A 12 -6.610 -15.276 4.724 1.00 1.16 O ATOM 176 CB PRO A 12 -8.005 -14.910 7.717 1.00 1.29 C ATOM 177 CG PRO A 12 -9.170 -13.932 7.883 1.00 1.22 C ATOM 178 CD PRO A 12 -8.491 -12.562 7.845 1.00 1.10 C ATOM 0 HA PRO A 12 -5.994 -14.463 6.974 1.00 1.10 H new ATOM 0 HB2 PRO A 12 -8.330 -15.848 7.267 1.00 1.29 H new ATOM 0 HB3 PRO A 12 -7.550 -15.158 8.676 1.00 1.29 H new ATOM 0 HG2 PRO A 12 -9.902 -14.040 7.083 1.00 1.22 H new ATOM 0 HG3 PRO A 12 -9.699 -14.093 8.823 1.00 1.22 H new ATOM 0 HD2 PRO A 12 -9.122 -11.829 7.342 1.00 1.10 H new ATOM 0 HD3 PRO A 12 -8.311 -12.189 8.853 1.00 1.10 H new ATOM 186 N GLY A 13 -8.293 -13.792 4.733 1.00 0.75 N ATOM 187 CA GLY A 13 -8.689 -13.963 3.335 1.00 0.73 C ATOM 188 C GLY A 13 -10.088 -13.393 3.061 1.00 0.80 C ATOM 189 O GLY A 13 -10.786 -13.033 4.011 1.00 0.90 O ATOM 0 H GLY A 13 -8.859 -13.101 5.226 1.00 0.75 H new ATOM 0 HA2 GLY A 13 -7.963 -13.469 2.689 1.00 0.73 H new ATOM 0 HA3 GLY A 13 -8.673 -15.023 3.080 1.00 0.73 H new ATOM 193 N PRO A 14 -10.508 -13.289 1.785 1.00 0.86 N ATOM 194 CA PRO A 14 -9.720 -13.572 0.586 1.00 0.87 C ATOM 195 C PRO A 14 -8.686 -12.474 0.280 1.00 0.86 C ATOM 196 O PRO A 14 -7.904 -12.627 -0.656 1.00 0.96 O ATOM 197 CB PRO A 14 -10.760 -13.675 -0.537 1.00 1.06 C ATOM 198 CG PRO A 14 -11.833 -12.675 -0.104 1.00 1.15 C ATOM 199 CD PRO A 14 -11.840 -12.823 1.415 1.00 1.03 C ATOM 0 HA PRO A 14 -9.130 -14.481 0.706 1.00 0.87 H new ATOM 0 HB2 PRO A 14 -10.334 -13.416 -1.506 1.00 1.06 H new ATOM 0 HB3 PRO A 14 -11.161 -14.685 -0.625 1.00 1.06 H new ATOM 0 HG2 PRO A 14 -11.586 -11.659 -0.410 1.00 1.15 H new ATOM 0 HG3 PRO A 14 -12.805 -12.911 -0.538 1.00 1.15 H new ATOM 0 HD2 PRO A 14 -12.068 -11.873 1.898 1.00 1.03 H new ATOM 0 HD3 PRO A 14 -12.603 -13.533 1.733 1.00 1.03 H new ATOM 207 N ASN A 15 -8.668 -11.375 1.044 1.00 0.81 N ATOM 208 CA ASN A 15 -7.857 -10.195 0.770 1.00 0.76 C ATOM 209 C ASN A 15 -7.472 -9.399 2.022 1.00 0.62 C ATOM 210 O ASN A 15 -8.210 -9.366 3.004 1.00 0.84 O ATOM 211 CB ASN A 15 -8.566 -9.314 -0.267 1.00 0.97 C ATOM 212 CG ASN A 15 -9.992 -8.877 0.055 1.00 1.23 C ATOM 213 OD1 ASN A 15 -10.881 -9.012 -0.768 1.00 2.69 O ATOM 214 ND2 ASN A 15 -10.274 -8.331 1.222 1.00 1.86 N ATOM 0 H ASN A 15 -9.232 -11.285 1.889 1.00 0.81 H new ATOM 0 HA ASN A 15 -6.909 -10.546 0.363 1.00 0.76 H new ATOM 0 HB2 ASN A 15 -7.963 -8.419 -0.420 1.00 0.97 H new ATOM 0 HB3 ASN A 15 -8.582 -9.852 -1.215 1.00 0.97 H new ATOM 0 HD21 ASN A 15 -11.226 -8.028 1.426 1.00 1.86 H new ATOM 0 HD22 ASN A 15 -9.540 -8.212 1.920 1.00 1.86 H new ATOM 221 N ALA A 16 -6.351 -8.688 1.927 1.00 0.60 N ATOM 222 CA ALA A 16 -5.815 -7.764 2.933 1.00 0.47 C ATOM 223 C ALA A 16 -5.662 -6.334 2.375 1.00 0.42 C ATOM 224 O ALA A 16 -5.960 -6.072 1.207 1.00 0.43 O ATOM 225 CB ALA A 16 -4.470 -8.320 3.434 1.00 0.69 C ATOM 0 H ALA A 16 -5.756 -8.742 1.100 1.00 0.60 H new ATOM 0 HA ALA A 16 -6.515 -7.690 3.765 1.00 0.47 H new ATOM 0 HB1 ALA A 16 -4.054 -7.647 4.184 1.00 0.69 H new ATOM 0 HB2 ALA A 16 -4.625 -9.304 3.876 1.00 0.69 H new ATOM 0 HB3 ALA A 16 -3.777 -8.404 2.597 1.00 0.69 H new ATOM 231 N ALA A 17 -5.161 -5.416 3.205 1.00 0.55 N ATOM 232 CA ALA A 17 -4.690 -4.092 2.799 1.00 0.55 C ATOM 233 C ALA A 17 -3.307 -3.836 3.438 1.00 0.70 C ATOM 234 O ALA A 17 -3.088 -4.222 4.589 1.00 1.05 O ATOM 235 CB ALA A 17 -5.724 -3.046 3.232 1.00 0.64 C ATOM 0 H ALA A 17 -5.070 -5.579 4.208 1.00 0.55 H new ATOM 0 HA ALA A 17 -4.578 -4.028 1.717 1.00 0.55 H new ATOM 0 HB1 ALA A 17 -5.384 -2.054 2.935 1.00 0.64 H new ATOM 0 HB2 ALA A 17 -6.680 -3.260 2.755 1.00 0.64 H new ATOM 0 HB3 ALA A 17 -5.844 -3.079 4.315 1.00 0.64 H new ATOM 241 N ALA A 18 -2.387 -3.211 2.701 1.00 0.50 N ATOM 242 CA ALA A 18 -1.026 -2.906 3.131 1.00 0.56 C ATOM 243 C ALA A 18 -0.795 -1.392 3.143 1.00 0.61 C ATOM 244 O ALA A 18 -1.299 -0.649 2.295 1.00 0.67 O ATOM 245 CB ALA A 18 -0.032 -3.636 2.218 1.00 0.63 C ATOM 0 H ALA A 18 -2.580 -2.892 1.752 1.00 0.50 H new ATOM 0 HA ALA A 18 -0.871 -3.257 4.151 1.00 0.56 H new ATOM 0 HB1 ALA A 18 0.986 -3.411 2.535 1.00 0.63 H new ATOM 0 HB2 ALA A 18 -0.203 -4.711 2.280 1.00 0.63 H new ATOM 0 HB3 ALA A 18 -0.173 -3.305 1.189 1.00 0.63 H new ATOM 251 N TYR A 19 -0.028 -0.961 4.140 1.00 0.69 N ATOM 252 CA TYR A 19 0.218 0.428 4.519 1.00 0.82 C ATOM 253 C TYR A 19 1.728 0.641 4.682 1.00 0.99 C ATOM 254 O TYR A 19 2.329 0.155 5.639 1.00 1.26 O ATOM 255 CB TYR A 19 -0.516 0.701 5.840 1.00 0.93 C ATOM 256 CG TYR A 19 -2.026 0.688 5.727 1.00 1.06 C ATOM 257 CD1 TYR A 19 -2.745 -0.524 5.739 1.00 1.73 C ATOM 258 CD2 TYR A 19 -2.716 1.902 5.589 1.00 2.53 C ATOM 259 CE1 TYR A 19 -4.144 -0.521 5.588 1.00 1.84 C ATOM 260 CE2 TYR A 19 -4.119 1.920 5.480 1.00 2.80 C ATOM 261 CZ TYR A 19 -4.838 0.707 5.463 1.00 1.71 C ATOM 262 OH TYR A 19 -6.189 0.725 5.314 1.00 2.12 O ATOM 0 H TYR A 19 0.471 -1.614 4.744 1.00 0.69 H new ATOM 0 HA TYR A 19 -0.148 1.114 3.755 1.00 0.82 H new ATOM 0 HB2 TYR A 19 -0.212 -0.046 6.573 1.00 0.93 H new ATOM 0 HB3 TYR A 19 -0.200 1.671 6.224 1.00 0.93 H new ATOM 0 HD1 TYR A 19 -2.220 -1.459 5.865 1.00 1.73 H new ATOM 0 HD2 TYR A 19 -2.165 2.831 5.566 1.00 2.53 H new ATOM 0 HE1 TYR A 19 -4.688 -1.454 5.567 1.00 1.84 H new ATOM 0 HE2 TYR A 19 -4.644 2.861 5.409 1.00 2.80 H new ATOM 0 HH TYR A 19 -6.498 1.652 5.244 1.00 2.12 H new ATOM 272 N LEU A 20 2.365 1.318 3.726 1.00 1.36 N ATOM 273 CA LEU A 20 3.826 1.368 3.646 1.00 1.41 C ATOM 274 C LEU A 20 4.369 2.704 3.157 1.00 1.19 C ATOM 275 O LEU A 20 3.668 3.508 2.542 1.00 1.05 O ATOM 276 CB LEU A 20 4.380 0.175 2.831 1.00 1.47 C ATOM 277 CG LEU A 20 4.164 0.250 1.303 1.00 1.23 C ATOM 278 CD1 LEU A 20 5.121 -0.705 0.585 1.00 1.85 C ATOM 279 CD2 LEU A 20 2.734 -0.108 0.886 1.00 2.15 C ATOM 0 H LEU A 20 1.889 1.842 2.992 1.00 1.36 H new ATOM 0 HA LEU A 20 4.191 1.275 4.669 1.00 1.41 H new ATOM 0 HB2 LEU A 20 5.449 0.092 3.025 1.00 1.47 H new ATOM 0 HB3 LEU A 20 3.917 -0.740 3.200 1.00 1.47 H new ATOM 0 HG LEU A 20 4.356 1.285 1.020 1.00 1.23 H new ATOM 0 HD11 LEU A 20 4.958 -0.642 -0.491 1.00 1.85 H new ATOM 0 HD12 LEU A 20 6.150 -0.428 0.813 1.00 1.85 H new ATOM 0 HD13 LEU A 20 4.937 -1.725 0.921 1.00 1.85 H new ATOM 0 HD21 LEU A 20 2.643 -0.038 -0.198 1.00 2.15 H new ATOM 0 HD22 LEU A 20 2.506 -1.125 1.204 1.00 2.15 H new ATOM 0 HD23 LEU A 20 2.034 0.584 1.355 1.00 2.15 H new ATOM 291 N THR A 21 5.653 2.896 3.426 1.00 1.26 N ATOM 292 CA THR A 21 6.413 4.069 3.025 1.00 1.19 C ATOM 293 C THR A 21 6.853 3.997 1.570 1.00 1.46 C ATOM 294 O THR A 21 6.963 2.924 0.973 1.00 1.94 O ATOM 295 CB THR A 21 7.542 4.252 4.026 1.00 1.20 C ATOM 296 OG1 THR A 21 6.918 4.832 5.145 1.00 1.68 O ATOM 297 CG2 THR A 21 8.650 5.195 3.608 1.00 1.57 C ATOM 0 H THR A 21 6.211 2.218 3.945 1.00 1.26 H new ATOM 0 HA THR A 21 5.792 4.964 3.052 1.00 1.19 H new ATOM 0 HB THR A 21 8.023 3.285 4.173 1.00 1.20 H new ATOM 0 HG1 THR A 21 6.538 4.127 5.710 1.00 1.68 H new ATOM 0 HG21 THR A 21 9.400 5.248 4.398 1.00 1.57 H new ATOM 0 HG22 THR A 21 9.113 4.829 2.692 1.00 1.57 H new ATOM 0 HG23 THR A 21 8.236 6.188 3.433 1.00 1.57 H new ATOM 305 N LEU A 22 7.075 5.192 1.027 1.00 1.44 N ATOM 306 CA LEU A 22 7.676 5.443 -0.274 1.00 1.73 C ATOM 307 C LEU A 22 8.797 6.475 -0.127 1.00 1.36 C ATOM 308 O LEU A 22 8.566 7.632 0.242 1.00 1.37 O ATOM 309 CB LEU A 22 6.579 5.928 -1.238 1.00 2.32 C ATOM 310 CG LEU A 22 6.808 5.667 -2.734 1.00 2.90 C ATOM 311 CD1 LEU A 22 8.094 6.305 -3.282 1.00 3.46 C ATOM 312 CD2 LEU A 22 6.783 4.160 -2.996 1.00 3.10 C ATOM 0 H LEU A 22 6.826 6.055 1.511 1.00 1.44 H new ATOM 0 HA LEU A 22 8.115 4.532 -0.680 1.00 1.73 H new ATOM 0 HB2 LEU A 22 5.640 5.455 -0.950 1.00 2.32 H new ATOM 0 HB3 LEU A 22 6.452 7.001 -1.096 1.00 2.32 H new ATOM 0 HG LEU A 22 5.995 6.151 -3.274 1.00 2.90 H new ATOM 0 HD11 LEU A 22 8.189 6.078 -4.344 1.00 3.46 H new ATOM 0 HD12 LEU A 22 8.052 7.385 -3.144 1.00 3.46 H new ATOM 0 HD13 LEU A 22 8.955 5.904 -2.747 1.00 3.46 H new ATOM 0 HD21 LEU A 22 6.945 3.972 -4.057 1.00 3.10 H new ATOM 0 HD22 LEU A 22 7.571 3.677 -2.418 1.00 3.10 H new ATOM 0 HD23 LEU A 22 5.815 3.755 -2.700 1.00 3.10 H new ATOM 324 N GLU A 23 10.005 6.031 -0.432 1.00 1.16 N ATOM 325 CA GLU A 23 11.235 6.815 -0.481 1.00 0.91 C ATOM 326 C GLU A 23 11.605 7.169 -1.936 1.00 0.92 C ATOM 327 O GLU A 23 11.630 6.306 -2.811 1.00 1.21 O ATOM 328 CB GLU A 23 12.395 6.027 0.171 1.00 1.36 C ATOM 329 CG GLU A 23 12.135 5.508 1.603 1.00 2.44 C ATOM 330 CD GLU A 23 11.397 4.160 1.690 1.00 3.99 C ATOM 331 OE1 GLU A 23 10.884 3.683 0.653 1.00 5.16 O ATOM 332 OE2 GLU A 23 11.330 3.627 2.817 1.00 4.78 O ATOM 0 H GLU A 23 10.166 5.052 -0.667 1.00 1.16 H new ATOM 0 HA GLU A 23 11.068 7.740 0.071 1.00 0.91 H new ATOM 0 HB2 GLU A 23 12.634 5.175 -0.466 1.00 1.36 H new ATOM 0 HB3 GLU A 23 13.277 6.667 0.191 1.00 1.36 H new ATOM 0 HG2 GLU A 23 13.092 5.414 2.117 1.00 2.44 H new ATOM 0 HG3 GLU A 23 11.555 6.256 2.143 1.00 2.44 H new ATOM 339 N ASN A 24 11.965 8.428 -2.212 1.00 0.80 N ATOM 340 CA ASN A 24 12.421 8.871 -3.538 1.00 0.86 C ATOM 341 C ASN A 24 13.926 9.211 -3.517 1.00 0.81 C ATOM 342 O ASN A 24 14.292 10.387 -3.509 1.00 0.91 O ATOM 343 CB ASN A 24 11.546 10.053 -3.983 1.00 0.99 C ATOM 344 CG ASN A 24 11.583 10.315 -5.485 1.00 1.20 C ATOM 345 OD1 ASN A 24 10.547 10.442 -6.104 1.00 3.04 O ATOM 346 ND2 ASN A 24 12.729 10.393 -6.141 1.00 1.14 N ATOM 0 H ASN A 24 11.948 9.175 -1.517 1.00 0.80 H new ATOM 0 HA ASN A 24 12.309 8.069 -4.267 1.00 0.86 H new ATOM 0 HB2 ASN A 24 10.516 9.864 -3.682 1.00 0.99 H new ATOM 0 HB3 ASN A 24 11.871 10.952 -3.459 1.00 0.99 H new ATOM 0 HD21 ASN A 24 12.730 10.557 -7.148 1.00 1.14 H new ATOM 0 HD22 ASN A 24 13.611 10.289 -5.640 1.00 1.14 H new ATOM 353 N PRO A 25 14.834 8.216 -3.521 1.00 0.88 N ATOM 354 CA PRO A 25 16.274 8.460 -3.422 1.00 0.94 C ATOM 355 C PRO A 25 16.885 9.142 -4.654 1.00 0.92 C ATOM 356 O PRO A 25 17.961 9.730 -4.538 1.00 1.02 O ATOM 357 CB PRO A 25 16.895 7.076 -3.189 1.00 1.13 C ATOM 358 CG PRO A 25 15.898 6.130 -3.860 1.00 1.20 C ATOM 359 CD PRO A 25 14.562 6.786 -3.540 1.00 1.07 C ATOM 0 HA PRO A 25 16.478 9.162 -2.614 1.00 0.94 H new ATOM 0 HB2 PRO A 25 17.887 6.999 -3.635 1.00 1.13 H new ATOM 0 HB3 PRO A 25 17.006 6.858 -2.127 1.00 1.13 H new ATOM 0 HG2 PRO A 25 16.068 6.056 -4.934 1.00 1.20 H new ATOM 0 HG3 PRO A 25 15.962 5.119 -3.457 1.00 1.20 H new ATOM 0 HD2 PRO A 25 13.812 6.538 -4.291 1.00 1.07 H new ATOM 0 HD3 PRO A 25 14.176 6.446 -2.579 1.00 1.07 H new ATOM 367 N GLY A 26 16.218 9.103 -5.815 1.00 0.85 N ATOM 368 CA GLY A 26 16.661 9.777 -7.029 1.00 0.86 C ATOM 369 C GLY A 26 16.364 11.273 -7.021 1.00 0.80 C ATOM 370 O GLY A 26 15.766 11.827 -6.101 1.00 1.16 O ATOM 0 H GLY A 26 15.343 8.593 -5.932 1.00 0.85 H new ATOM 0 HA2 GLY A 26 17.733 9.626 -7.152 1.00 0.86 H new ATOM 0 HA3 GLY A 26 16.174 9.320 -7.890 1.00 0.86 H new ATOM 374 N ASP A 27 16.825 11.908 -8.086 1.00 0.83 N ATOM 375 CA ASP A 27 16.879 13.350 -8.312 1.00 1.28 C ATOM 376 C ASP A 27 15.732 13.840 -9.213 1.00 1.30 C ATOM 377 O ASP A 27 15.546 15.031 -9.438 1.00 1.61 O ATOM 378 CB ASP A 27 18.255 13.594 -8.940 1.00 1.67 C ATOM 379 CG ASP A 27 19.368 13.288 -7.934 1.00 2.10 C ATOM 380 OD1 ASP A 27 19.703 12.090 -7.771 1.00 2.60 O ATOM 381 OD2 ASP A 27 19.759 14.190 -7.168 1.00 2.89 O ATOM 0 H ASP A 27 17.202 11.391 -8.880 1.00 0.83 H new ATOM 0 HA ASP A 27 16.752 13.911 -7.386 1.00 1.28 H new ATOM 0 HB2 ASP A 27 18.374 12.967 -9.824 1.00 1.67 H new ATOM 0 HB3 ASP A 27 18.331 14.630 -9.271 1.00 1.67 H new ATOM 386 N LEU A 28 14.935 12.882 -9.689 1.00 1.02 N ATOM 387 CA LEU A 28 13.714 13.033 -10.466 1.00 1.01 C ATOM 388 C LEU A 28 12.580 12.256 -9.756 1.00 0.81 C ATOM 389 O LEU A 28 12.877 11.383 -8.928 1.00 0.72 O ATOM 390 CB LEU A 28 13.960 12.498 -11.889 1.00 1.15 C ATOM 391 CG LEU A 28 15.167 13.122 -12.633 1.00 2.63 C ATOM 392 CD1 LEU A 28 16.432 12.254 -12.513 1.00 3.59 C ATOM 393 CD2 LEU A 28 14.835 13.293 -14.122 1.00 3.35 C ATOM 0 H LEU A 28 15.150 11.899 -9.524 1.00 1.02 H new ATOM 0 HA LEU A 28 13.422 14.080 -10.542 1.00 1.01 H new ATOM 0 HB2 LEU A 28 14.107 11.419 -11.833 1.00 1.15 H new ATOM 0 HB3 LEU A 28 13.062 12.667 -12.483 1.00 1.15 H new ATOM 0 HG LEU A 28 15.363 14.088 -12.168 1.00 2.63 H new ATOM 0 HD11 LEU A 28 17.252 12.730 -13.050 1.00 3.59 H new ATOM 0 HD12 LEU A 28 16.700 12.145 -11.462 1.00 3.59 H new ATOM 0 HD13 LEU A 28 16.240 11.270 -12.942 1.00 3.59 H new ATOM 0 HD21 LEU A 28 15.689 13.732 -14.637 1.00 3.35 H new ATOM 0 HD22 LEU A 28 14.609 12.320 -14.558 1.00 3.35 H new ATOM 0 HD23 LEU A 28 13.971 13.948 -14.229 1.00 3.35 H new ATOM 405 N PRO A 29 11.296 12.551 -10.035 1.00 0.83 N ATOM 406 CA PRO A 29 10.190 12.056 -9.233 1.00 0.77 C ATOM 407 C PRO A 29 9.815 10.623 -9.620 1.00 0.69 C ATOM 408 O PRO A 29 9.763 10.257 -10.797 1.00 0.89 O ATOM 409 CB PRO A 29 9.042 13.037 -9.464 1.00 0.95 C ATOM 410 CG PRO A 29 9.292 13.547 -10.882 1.00 1.07 C ATOM 411 CD PRO A 29 10.809 13.447 -11.071 1.00 1.00 C ATOM 0 HA PRO A 29 10.450 12.004 -8.176 1.00 0.77 H new ATOM 0 HB2 PRO A 29 8.072 12.548 -9.378 1.00 0.95 H new ATOM 0 HB3 PRO A 29 9.055 13.849 -8.737 1.00 0.95 H new ATOM 0 HG2 PRO A 29 8.761 12.944 -11.619 1.00 1.07 H new ATOM 0 HG3 PRO A 29 8.945 14.574 -11.000 1.00 1.07 H new ATOM 0 HD2 PRO A 29 11.052 13.063 -12.062 1.00 1.00 H new ATOM 0 HD3 PRO A 29 11.276 14.428 -10.986 1.00 1.00 H new ATOM 419 N LEU A 30 9.522 9.820 -8.601 1.00 0.63 N ATOM 420 CA LEU A 30 8.927 8.495 -8.723 1.00 0.61 C ATOM 421 C LEU A 30 7.404 8.592 -8.681 1.00 0.60 C ATOM 422 O LEU A 30 6.800 9.373 -7.952 1.00 0.71 O ATOM 423 CB LEU A 30 9.418 7.572 -7.599 1.00 0.66 C ATOM 424 CG LEU A 30 10.722 6.789 -7.863 1.00 0.72 C ATOM 425 CD1 LEU A 30 11.870 7.627 -8.450 1.00 1.95 C ATOM 426 CD2 LEU A 30 11.192 6.111 -6.572 1.00 2.20 C ATOM 0 H LEU A 30 9.700 10.085 -7.632 1.00 0.63 H new ATOM 0 HA LEU A 30 9.233 8.073 -9.680 1.00 0.61 H new ATOM 0 HB2 LEU A 30 9.559 8.174 -6.702 1.00 0.66 H new ATOM 0 HB3 LEU A 30 8.628 6.853 -7.380 1.00 0.66 H new ATOM 0 HG LEU A 30 10.470 6.053 -8.626 1.00 0.72 H new ATOM 0 HD11 LEU A 30 12.743 6.992 -8.601 1.00 1.95 H new ATOM 0 HD12 LEU A 30 11.560 8.051 -9.405 1.00 1.95 H new ATOM 0 HD13 LEU A 30 12.122 8.433 -7.760 1.00 1.95 H new ATOM 0 HD21 LEU A 30 12.113 5.560 -6.765 1.00 2.20 H new ATOM 0 HD22 LEU A 30 11.375 6.868 -5.809 1.00 2.20 H new ATOM 0 HD23 LEU A 30 10.423 5.422 -6.222 1.00 2.20 H new ATOM 438 N ARG A 31 6.797 7.685 -9.425 1.00 0.53 N ATOM 439 CA ARG A 31 5.349 7.582 -9.630 1.00 0.49 C ATOM 440 C ARG A 31 4.900 6.137 -9.489 1.00 0.48 C ATOM 441 O ARG A 31 5.133 5.327 -10.379 1.00 0.52 O ATOM 442 CB ARG A 31 4.979 8.174 -10.994 1.00 0.53 C ATOM 443 CG ARG A 31 3.468 8.093 -11.266 1.00 0.48 C ATOM 444 CD ARG A 31 2.969 9.115 -12.294 1.00 0.61 C ATOM 445 NE ARG A 31 3.706 9.057 -13.573 1.00 1.63 N ATOM 446 CZ ARG A 31 4.604 9.937 -14.010 1.00 1.94 C ATOM 447 NH1 ARG A 31 4.990 10.983 -13.315 1.00 2.47 N ATOM 448 NH2 ARG A 31 5.143 9.768 -15.199 1.00 3.38 N ATOM 0 H ARG A 31 7.316 6.965 -9.928 1.00 0.53 H new ATOM 0 HA ARG A 31 4.825 8.156 -8.866 1.00 0.49 H new ATOM 0 HB2 ARG A 31 5.300 9.215 -11.037 1.00 0.53 H new ATOM 0 HB3 ARG A 31 5.518 7.642 -11.778 1.00 0.53 H new ATOM 0 HG2 ARG A 31 3.225 7.090 -11.617 1.00 0.48 H new ATOM 0 HG3 ARG A 31 2.931 8.242 -10.329 1.00 0.48 H new ATOM 0 HD2 ARG A 31 1.910 8.943 -12.484 1.00 0.61 H new ATOM 0 HD3 ARG A 31 3.059 10.117 -11.875 1.00 0.61 H new ATOM 0 HE ARG A 31 3.507 8.263 -14.182 1.00 1.63 H new ATOM 0 HH11 ARG A 31 4.597 11.153 -12.389 1.00 2.47 H new ATOM 0 HH12 ARG A 31 5.683 11.625 -13.701 1.00 2.47 H new ATOM 0 HH21 ARG A 31 4.871 8.970 -15.773 1.00 3.38 H new ATOM 0 HH22 ARG A 31 5.832 10.435 -15.546 1.00 3.38 H new ATOM 462 N LEU A 32 4.305 5.795 -8.358 1.00 0.49 N ATOM 463 CA LEU A 32 3.906 4.448 -7.965 1.00 0.47 C ATOM 464 C LEU A 32 2.538 4.105 -8.562 1.00 0.43 C ATOM 465 O LEU A 32 1.523 4.585 -8.070 1.00 0.46 O ATOM 466 CB LEU A 32 3.903 4.461 -6.434 1.00 0.53 C ATOM 467 CG LEU A 32 3.491 3.141 -5.762 1.00 0.80 C ATOM 468 CD1 LEU A 32 4.538 2.048 -6.006 1.00 1.69 C ATOM 469 CD2 LEU A 32 3.310 3.407 -4.262 1.00 2.50 C ATOM 0 H LEU A 32 4.073 6.488 -7.647 1.00 0.49 H new ATOM 0 HA LEU A 32 4.582 3.678 -8.336 1.00 0.47 H new ATOM 0 HB2 LEU A 32 4.902 4.728 -6.088 1.00 0.53 H new ATOM 0 HB3 LEU A 32 3.228 5.247 -6.096 1.00 0.53 H new ATOM 0 HG LEU A 32 2.555 2.783 -6.191 1.00 0.80 H new ATOM 0 HD11 LEU A 32 4.221 1.125 -5.520 1.00 1.69 H new ATOM 0 HD12 LEU A 32 4.642 1.876 -7.077 1.00 1.69 H new ATOM 0 HD13 LEU A 32 5.497 2.364 -5.595 1.00 1.69 H new ATOM 0 HD21 LEU A 32 3.017 2.484 -3.762 1.00 2.50 H new ATOM 0 HD22 LEU A 32 4.249 3.766 -3.840 1.00 2.50 H new ATOM 0 HD23 LEU A 32 2.535 4.160 -4.117 1.00 2.50 H new ATOM 481 N VAL A 33 2.515 3.288 -9.612 1.00 0.41 N ATOM 482 CA VAL A 33 1.286 2.954 -10.362 1.00 0.38 C ATOM 483 C VAL A 33 0.666 1.618 -9.915 1.00 0.37 C ATOM 484 O VAL A 33 -0.527 1.389 -10.106 1.00 0.38 O ATOM 485 CB VAL A 33 1.529 2.933 -11.894 1.00 0.42 C ATOM 486 CG1 VAL A 33 2.129 4.258 -12.406 1.00 0.48 C ATOM 487 CG2 VAL A 33 2.462 1.800 -12.368 1.00 0.41 C ATOM 0 H VAL A 33 3.350 2.830 -9.977 1.00 0.41 H new ATOM 0 HA VAL A 33 0.576 3.749 -10.132 1.00 0.38 H new ATOM 0 HB VAL A 33 0.534 2.769 -12.308 1.00 0.42 H new ATOM 0 HG11 VAL A 33 2.282 4.196 -13.483 1.00 0.48 H new ATOM 0 HG12 VAL A 33 1.445 5.077 -12.183 1.00 0.48 H new ATOM 0 HG13 VAL A 33 3.085 4.439 -11.914 1.00 0.48 H new ATOM 0 HG21 VAL A 33 2.580 1.855 -13.450 1.00 0.41 H new ATOM 0 HG22 VAL A 33 3.436 1.907 -11.890 1.00 0.41 H new ATOM 0 HG23 VAL A 33 2.030 0.836 -12.099 1.00 0.41 H new ATOM 497 N GLY A 34 1.485 0.722 -9.347 1.00 0.38 N ATOM 498 CA GLY A 34 1.082 -0.609 -8.894 1.00 0.38 C ATOM 499 C GLY A 34 2.042 -1.208 -7.874 1.00 0.41 C ATOM 500 O GLY A 34 3.013 -0.575 -7.454 1.00 0.47 O ATOM 0 H GLY A 34 2.474 0.913 -9.187 1.00 0.38 H new ATOM 0 HA2 GLY A 34 0.085 -0.551 -8.456 1.00 0.38 H new ATOM 0 HA3 GLY A 34 1.014 -1.274 -9.755 1.00 0.38 H new ATOM 504 N ALA A 35 1.785 -2.462 -7.517 1.00 0.44 N ATOM 505 CA ALA A 35 2.647 -3.314 -6.705 1.00 0.45 C ATOM 506 C ALA A 35 2.609 -4.776 -7.200 1.00 0.46 C ATOM 507 O ALA A 35 1.959 -5.096 -8.195 1.00 0.54 O ATOM 508 CB ALA A 35 2.239 -3.171 -5.229 1.00 0.48 C ATOM 0 H ALA A 35 0.927 -2.935 -7.800 1.00 0.44 H new ATOM 0 HA ALA A 35 3.685 -2.996 -6.802 1.00 0.45 H new ATOM 0 HB1 ALA A 35 2.877 -3.804 -4.612 1.00 0.48 H new ATOM 0 HB2 ALA A 35 2.351 -2.132 -4.920 1.00 0.48 H new ATOM 0 HB3 ALA A 35 1.200 -3.476 -5.108 1.00 0.48 H new ATOM 514 N ARG A 36 3.314 -5.644 -6.477 1.00 0.47 N ATOM 515 CA ARG A 36 3.425 -7.104 -6.587 1.00 0.55 C ATOM 516 C ARG A 36 3.842 -7.637 -5.201 1.00 0.55 C ATOM 517 O ARG A 36 4.284 -6.852 -4.365 1.00 0.60 O ATOM 518 CB ARG A 36 4.481 -7.456 -7.657 1.00 0.82 C ATOM 519 CG ARG A 36 3.906 -7.810 -9.031 1.00 1.30 C ATOM 520 CD ARG A 36 5.058 -7.996 -10.031 1.00 2.47 C ATOM 521 NE ARG A 36 4.633 -8.756 -11.224 1.00 3.05 N ATOM 522 CZ ARG A 36 5.206 -9.859 -11.704 1.00 3.76 C ATOM 523 NH1 ARG A 36 6.263 -10.409 -11.134 1.00 4.19 N ATOM 524 NH2 ARG A 36 4.706 -10.442 -12.773 1.00 4.68 N ATOM 0 H ARG A 36 3.891 -5.303 -5.708 1.00 0.47 H new ATOM 0 HA ARG A 36 2.480 -7.556 -6.889 1.00 0.55 H new ATOM 0 HB2 ARG A 36 5.160 -6.611 -7.769 1.00 0.82 H new ATOM 0 HB3 ARG A 36 5.075 -8.297 -7.299 1.00 0.82 H new ATOM 0 HG2 ARG A 36 3.314 -8.723 -8.966 1.00 1.30 H new ATOM 0 HG3 ARG A 36 3.237 -7.020 -9.372 1.00 1.30 H new ATOM 0 HD2 ARG A 36 5.434 -7.020 -10.337 1.00 2.47 H new ATOM 0 HD3 ARG A 36 5.882 -8.517 -9.543 1.00 2.47 H new ATOM 0 HE ARG A 36 3.821 -8.402 -11.730 1.00 3.05 H new ATOM 0 HH11 ARG A 36 6.668 -9.989 -10.297 1.00 4.19 H new ATOM 0 HH12 ARG A 36 6.674 -11.254 -11.530 1.00 4.19 H new ATOM 0 HH21 ARG A 36 3.883 -10.049 -13.230 1.00 4.68 H new ATOM 0 HH22 ARG A 36 5.141 -11.287 -13.144 1.00 4.68 H new ATOM 538 N THR A 37 3.742 -8.950 -4.964 1.00 0.63 N ATOM 539 CA THR A 37 4.054 -9.677 -3.707 1.00 0.64 C ATOM 540 C THR A 37 3.773 -11.167 -3.931 1.00 0.65 C ATOM 541 O THR A 37 2.923 -11.460 -4.776 1.00 0.69 O ATOM 542 CB THR A 37 3.255 -9.127 -2.512 1.00 0.67 C ATOM 543 OG1 THR A 37 3.407 -9.939 -1.375 1.00 0.73 O ATOM 544 CG2 THR A 37 1.750 -9.002 -2.756 1.00 0.69 C ATOM 0 H THR A 37 3.418 -9.587 -5.692 1.00 0.63 H new ATOM 0 HA THR A 37 5.105 -9.533 -3.458 1.00 0.64 H new ATOM 0 HB THR A 37 3.671 -8.131 -2.364 1.00 0.67 H new ATOM 0 HG1 THR A 37 4.223 -9.683 -0.897 1.00 0.73 H new ATOM 0 HG21 THR A 37 1.268 -8.607 -1.862 1.00 0.69 H new ATOM 0 HG22 THR A 37 1.572 -8.327 -3.593 1.00 0.69 H new ATOM 0 HG23 THR A 37 1.336 -9.983 -2.988 1.00 0.69 H new ATOM 552 N PRO A 38 4.424 -12.115 -3.228 1.00 0.68 N ATOM 553 CA PRO A 38 4.103 -13.528 -3.394 1.00 0.69 C ATOM 554 C PRO A 38 2.783 -13.926 -2.722 1.00 0.71 C ATOM 555 O PRO A 38 2.139 -14.858 -3.191 1.00 0.87 O ATOM 556 CB PRO A 38 5.301 -14.291 -2.827 1.00 0.73 C ATOM 557 CG PRO A 38 5.940 -13.332 -1.827 1.00 0.76 C ATOM 558 CD PRO A 38 5.573 -11.940 -2.341 1.00 0.73 C ATOM 0 HA PRO A 38 3.940 -13.768 -4.445 1.00 0.69 H new ATOM 0 HB2 PRO A 38 4.987 -15.216 -2.342 1.00 0.73 H new ATOM 0 HB3 PRO A 38 6.003 -14.566 -3.614 1.00 0.73 H new ATOM 0 HG2 PRO A 38 5.557 -13.496 -0.820 1.00 0.76 H new ATOM 0 HG3 PRO A 38 7.021 -13.467 -1.783 1.00 0.76 H new ATOM 0 HD2 PRO A 38 5.327 -11.274 -1.514 1.00 0.73 H new ATOM 0 HD3 PRO A 38 6.410 -11.490 -2.875 1.00 0.73 H new ATOM 566 N VAL A 39 2.354 -13.238 -1.657 1.00 0.77 N ATOM 567 CA VAL A 39 1.210 -13.648 -0.817 1.00 0.78 C ATOM 568 C VAL A 39 -0.141 -13.032 -1.207 1.00 0.73 C ATOM 569 O VAL A 39 -1.071 -13.028 -0.409 1.00 0.75 O ATOM 570 CB VAL A 39 1.504 -13.435 0.683 1.00 0.82 C ATOM 571 CG1 VAL A 39 2.653 -14.351 1.134 1.00 0.88 C ATOM 572 CG2 VAL A 39 1.794 -11.955 0.966 1.00 0.85 C ATOM 0 H VAL A 39 2.793 -12.371 -1.347 1.00 0.77 H new ATOM 0 HA VAL A 39 1.099 -14.715 -1.012 1.00 0.78 H new ATOM 0 HB VAL A 39 0.624 -13.707 1.266 1.00 0.82 H new ATOM 0 HG11 VAL A 39 2.851 -14.191 2.194 1.00 0.88 H new ATOM 0 HG12 VAL A 39 2.374 -15.392 0.970 1.00 0.88 H new ATOM 0 HG13 VAL A 39 3.550 -14.120 0.559 1.00 0.88 H new ATOM 0 HG21 VAL A 39 1.999 -11.821 2.028 1.00 0.85 H new ATOM 0 HG22 VAL A 39 2.660 -11.637 0.386 1.00 0.85 H new ATOM 0 HG23 VAL A 39 0.929 -11.355 0.685 1.00 0.85 H new ATOM 582 N ALA A 40 -0.277 -12.593 -2.454 1.00 0.70 N ATOM 583 CA ALA A 40 -1.539 -12.276 -3.127 1.00 0.65 C ATOM 584 C ALA A 40 -1.463 -12.820 -4.566 1.00 0.80 C ATOM 585 O ALA A 40 -0.383 -13.163 -5.049 1.00 1.13 O ATOM 586 CB ALA A 40 -1.706 -10.753 -3.092 1.00 0.72 C ATOM 0 H ALA A 40 0.531 -12.439 -3.057 1.00 0.70 H new ATOM 0 HA ALA A 40 -2.401 -12.732 -2.641 1.00 0.65 H new ATOM 0 HB1 ALA A 40 -2.638 -10.478 -3.586 1.00 0.72 H new ATOM 0 HB2 ALA A 40 -1.730 -10.413 -2.057 1.00 0.72 H new ATOM 0 HB3 ALA A 40 -0.869 -10.283 -3.609 1.00 0.72 H new ATOM 592 N GLU A 41 -2.603 -12.967 -5.229 1.00 0.79 N ATOM 593 CA GLU A 41 -2.712 -13.238 -6.664 1.00 0.92 C ATOM 594 C GLU A 41 -2.463 -11.950 -7.462 1.00 1.17 C ATOM 595 O GLU A 41 -1.516 -11.875 -8.244 1.00 1.66 O ATOM 596 CB GLU A 41 -4.104 -13.850 -6.904 1.00 0.86 C ATOM 597 CG GLU A 41 -4.422 -14.169 -8.369 1.00 0.98 C ATOM 598 CD GLU A 41 -5.210 -13.049 -9.049 1.00 2.94 C ATOM 599 OE1 GLU A 41 -6.318 -12.740 -8.561 1.00 4.20 O ATOM 600 OE2 GLU A 41 -4.708 -12.484 -10.042 1.00 4.27 O ATOM 0 H GLU A 41 -3.511 -12.899 -4.770 1.00 0.79 H new ATOM 0 HA GLU A 41 -1.958 -13.946 -7.008 1.00 0.92 H new ATOM 0 HB2 GLU A 41 -4.188 -14.767 -6.321 1.00 0.86 H new ATOM 0 HB3 GLU A 41 -4.859 -13.161 -6.525 1.00 0.86 H new ATOM 0 HG2 GLU A 41 -3.492 -14.337 -8.912 1.00 0.98 H new ATOM 0 HG3 GLU A 41 -4.994 -15.096 -8.421 1.00 0.98 H new ATOM 607 N ARG A 42 -3.246 -10.911 -7.161 1.00 1.07 N ATOM 608 CA ARG A 42 -3.168 -9.568 -7.718 1.00 1.35 C ATOM 609 C ARG A 42 -3.254 -8.544 -6.585 1.00 1.01 C ATOM 610 O ARG A 42 -3.394 -8.870 -5.409 1.00 1.28 O ATOM 611 CB ARG A 42 -4.266 -9.392 -8.792 1.00 1.81 C ATOM 612 CG ARG A 42 -5.697 -9.568 -8.252 1.00 1.52 C ATOM 613 CD ARG A 42 -6.736 -9.824 -9.357 1.00 1.61 C ATOM 614 NE ARG A 42 -7.127 -8.595 -10.082 1.00 2.64 N ATOM 615 CZ ARG A 42 -7.865 -7.603 -9.586 1.00 3.98 C ATOM 616 NH1 ARG A 42 -8.362 -7.635 -8.375 1.00 4.60 N ATOM 617 NH2 ARG A 42 -8.124 -6.515 -10.272 1.00 5.47 N ATOM 0 H ARG A 42 -3.998 -10.996 -6.477 1.00 1.07 H new ATOM 0 HA ARG A 42 -2.213 -9.406 -8.217 1.00 1.35 H new ATOM 0 HB2 ARG A 42 -4.174 -8.400 -9.233 1.00 1.81 H new ATOM 0 HB3 ARG A 42 -4.098 -10.113 -9.592 1.00 1.81 H new ATOM 0 HG2 ARG A 42 -5.713 -10.400 -7.548 1.00 1.52 H new ATOM 0 HG3 ARG A 42 -5.981 -8.675 -7.696 1.00 1.52 H new ATOM 0 HD2 ARG A 42 -6.332 -10.545 -10.068 1.00 1.61 H new ATOM 0 HD3 ARG A 42 -7.624 -10.276 -8.915 1.00 1.61 H new ATOM 0 HE ARG A 42 -6.804 -8.499 -11.045 1.00 2.64 H new ATOM 0 HH11 ARG A 42 -8.189 -8.441 -7.774 1.00 4.60 H new ATOM 0 HH12 ARG A 42 -8.922 -6.854 -8.033 1.00 4.60 H new ATOM 0 HH21 ARG A 42 -7.756 -6.409 -11.217 1.00 5.47 H new ATOM 0 HH22 ARG A 42 -8.693 -5.776 -9.860 1.00 5.47 H new ATOM 631 N VAL A 43 -3.147 -7.276 -6.937 1.00 0.64 N ATOM 632 CA VAL A 43 -3.078 -6.139 -6.009 1.00 0.49 C ATOM 633 C VAL A 43 -3.617 -4.885 -6.711 1.00 0.58 C ATOM 634 O VAL A 43 -3.471 -4.753 -7.926 1.00 0.84 O ATOM 635 CB VAL A 43 -1.632 -5.957 -5.484 1.00 0.55 C ATOM 636 CG1 VAL A 43 -0.629 -5.607 -6.587 1.00 0.77 C ATOM 637 CG2 VAL A 43 -1.502 -4.917 -4.364 1.00 0.66 C ATOM 0 H VAL A 43 -3.103 -6.988 -7.915 1.00 0.64 H new ATOM 0 HA VAL A 43 -3.702 -6.326 -5.135 1.00 0.49 H new ATOM 0 HB VAL A 43 -1.391 -6.938 -5.075 1.00 0.55 H new ATOM 0 HG11 VAL A 43 0.364 -5.493 -6.153 1.00 0.77 H new ATOM 0 HG12 VAL A 43 -0.611 -6.405 -7.329 1.00 0.77 H new ATOM 0 HG13 VAL A 43 -0.925 -4.673 -7.065 1.00 0.77 H new ATOM 0 HG21 VAL A 43 -0.460 -4.848 -4.051 1.00 0.66 H new ATOM 0 HG22 VAL A 43 -1.836 -3.946 -4.729 1.00 0.66 H new ATOM 0 HG23 VAL A 43 -2.117 -5.217 -3.516 1.00 0.66 H new ATOM 647 N GLU A 44 -4.253 -3.989 -5.955 1.00 0.50 N ATOM 648 CA GLU A 44 -4.857 -2.738 -6.431 1.00 0.52 C ATOM 649 C GLU A 44 -4.459 -1.575 -5.522 1.00 0.47 C ATOM 650 O GLU A 44 -4.299 -1.752 -4.317 1.00 0.55 O ATOM 651 CB GLU A 44 -6.387 -2.841 -6.415 1.00 0.67 C ATOM 652 CG GLU A 44 -6.927 -3.786 -7.496 1.00 1.21 C ATOM 653 CD GLU A 44 -8.437 -4.001 -7.390 1.00 1.73 C ATOM 654 OE1 GLU A 44 -9.108 -3.195 -6.703 1.00 2.34 O ATOM 655 OE2 GLU A 44 -8.901 -4.983 -8.018 1.00 2.67 O ATOM 0 H GLU A 44 -4.368 -4.119 -4.950 1.00 0.50 H new ATOM 0 HA GLU A 44 -4.501 -2.565 -7.446 1.00 0.52 H new ATOM 0 HB2 GLU A 44 -6.713 -3.191 -5.436 1.00 0.67 H new ATOM 0 HB3 GLU A 44 -6.816 -1.849 -6.558 1.00 0.67 H new ATOM 0 HG2 GLU A 44 -6.690 -3.380 -8.479 1.00 1.21 H new ATOM 0 HG3 GLU A 44 -6.421 -4.748 -7.418 1.00 1.21 H new ATOM 662 N LEU A 45 -4.327 -0.372 -6.083 1.00 0.51 N ATOM 663 CA LEU A 45 -4.002 0.836 -5.326 1.00 0.47 C ATOM 664 C LEU A 45 -5.276 1.622 -4.985 1.00 0.39 C ATOM 665 O LEU A 45 -6.017 2.044 -5.877 1.00 0.40 O ATOM 666 CB LEU A 45 -3.005 1.653 -6.157 1.00 0.66 C ATOM 667 CG LEU A 45 -2.537 2.941 -5.458 1.00 0.55 C ATOM 668 CD1 LEU A 45 -1.621 2.702 -4.253 1.00 0.67 C ATOM 669 CD2 LEU A 45 -1.784 3.774 -6.487 1.00 1.00 C ATOM 0 H LEU A 45 -4.444 -0.208 -7.083 1.00 0.51 H new ATOM 0 HA LEU A 45 -3.543 0.586 -4.369 1.00 0.47 H new ATOM 0 HB2 LEU A 45 -2.136 1.034 -6.380 1.00 0.66 H new ATOM 0 HB3 LEU A 45 -3.465 1.913 -7.110 1.00 0.66 H new ATOM 0 HG LEU A 45 -3.424 3.443 -5.071 1.00 0.55 H new ATOM 0 HD11 LEU A 45 -1.336 3.660 -3.817 1.00 0.67 H new ATOM 0 HD12 LEU A 45 -2.148 2.107 -3.508 1.00 0.67 H new ATOM 0 HD13 LEU A 45 -0.726 2.170 -4.576 1.00 0.67 H new ATOM 0 HD21 LEU A 45 -1.437 4.698 -6.024 1.00 1.00 H new ATOM 0 HD22 LEU A 45 -0.928 3.209 -6.856 1.00 1.00 H new ATOM 0 HD23 LEU A 45 -2.448 4.012 -7.318 1.00 1.00 H new ATOM 681 N HIS A 46 -5.528 1.833 -3.692 1.00 0.37 N ATOM 682 CA HIS A 46 -6.730 2.484 -3.170 1.00 0.38 C ATOM 683 C HIS A 46 -6.422 3.717 -2.309 1.00 0.42 C ATOM 684 O HIS A 46 -5.375 3.848 -1.667 1.00 0.48 O ATOM 685 CB HIS A 46 -7.534 1.482 -2.319 1.00 0.44 C ATOM 686 CG HIS A 46 -8.195 0.298 -2.984 1.00 0.48 C ATOM 687 ND1 HIS A 46 -8.879 -0.684 -2.283 1.00 0.54 N ATOM 688 CD2 HIS A 46 -8.238 -0.040 -4.308 1.00 0.51 C ATOM 689 CE1 HIS A 46 -9.300 -1.588 -3.166 1.00 0.60 C ATOM 690 NE2 HIS A 46 -8.928 -1.235 -4.414 1.00 0.60 N ATOM 0 H HIS A 46 -4.881 1.547 -2.957 1.00 0.37 H new ATOM 0 HA HIS A 46 -7.302 2.818 -4.035 1.00 0.38 H new ATOM 0 HB2 HIS A 46 -6.863 1.093 -1.553 1.00 0.44 H new ATOM 0 HB3 HIS A 46 -8.314 2.044 -1.804 1.00 0.44 H new ATOM 0 HD2 HIS A 46 -7.811 0.524 -5.124 1.00 0.51 H new ATOM 0 HE1 HIS A 46 -9.860 -2.478 -2.918 1.00 0.60 H new ATOM 0 HE2 HIS A 46 -9.119 -1.751 -5.273 1.00 0.60 H new ATOM 698 N GLU A 47 -7.435 4.572 -2.212 1.00 0.48 N ATOM 699 CA GLU A 47 -7.588 5.555 -1.151 1.00 0.59 C ATOM 700 C GLU A 47 -8.712 5.129 -0.197 1.00 0.77 C ATOM 701 O GLU A 47 -9.653 4.434 -0.595 1.00 0.98 O ATOM 702 CB GLU A 47 -7.813 6.948 -1.756 1.00 0.55 C ATOM 703 CG GLU A 47 -9.222 7.168 -2.311 1.00 0.61 C ATOM 704 CD GLU A 47 -9.456 8.590 -2.803 1.00 0.91 C ATOM 705 OE1 GLU A 47 -8.670 9.113 -3.621 1.00 2.03 O ATOM 706 OE2 GLU A 47 -10.531 9.143 -2.484 1.00 1.75 O ATOM 0 H GLU A 47 -8.195 4.599 -2.892 1.00 0.48 H new ATOM 0 HA GLU A 47 -6.675 5.609 -0.559 1.00 0.59 H new ATOM 0 HB2 GLU A 47 -7.613 7.700 -0.993 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -7.090 7.106 -2.556 1.00 0.55 H new ATOM 0 HG2 GLU A 47 -9.395 6.473 -3.133 1.00 0.61 H new ATOM 0 HG3 GLU A 47 -9.952 6.933 -1.536 1.00 0.61 H new ATOM 713 N THR A 48 -8.617 5.601 1.045 1.00 0.87 N ATOM 714 CA THR A 48 -9.718 5.718 2.002 1.00 0.90 C ATOM 715 C THR A 48 -9.901 7.206 2.243 1.00 0.85 C ATOM 716 O THR A 48 -8.910 7.915 2.414 1.00 0.87 O ATOM 717 CB THR A 48 -9.405 4.968 3.303 1.00 1.09 C ATOM 718 OG1 THR A 48 -9.689 3.614 3.045 1.00 1.65 O ATOM 719 CG2 THR A 48 -10.258 5.366 4.511 1.00 0.93 C ATOM 0 H THR A 48 -7.730 5.927 1.430 1.00 0.87 H new ATOM 0 HA THR A 48 -10.633 5.268 1.616 1.00 0.90 H new ATOM 0 HB THR A 48 -8.372 5.197 3.563 1.00 1.09 H new ATOM 0 HG1 THR A 48 -9.504 3.082 3.847 1.00 1.65 H new ATOM 0 HG21 THR A 48 -9.957 4.778 5.378 1.00 0.93 H new ATOM 0 HG22 THR A 48 -10.116 6.425 4.724 1.00 0.93 H new ATOM 0 HG23 THR A 48 -11.309 5.178 4.292 1.00 0.93 H new ATOM 727 N PHE A 49 -11.154 7.659 2.253 1.00 0.92 N ATOM 728 CA PHE A 49 -11.522 9.062 2.406 1.00 0.89 C ATOM 729 C PHE A 49 -12.515 9.283 3.549 1.00 0.76 C ATOM 730 O PHE A 49 -13.174 8.365 4.036 1.00 0.82 O ATOM 731 CB PHE A 49 -12.070 9.614 1.076 1.00 0.98 C ATOM 732 CG PHE A 49 -13.330 8.952 0.529 1.00 0.99 C ATOM 733 CD1 PHE A 49 -14.582 9.350 1.032 1.00 1.96 C ATOM 734 CD2 PHE A 49 -13.275 7.997 -0.509 1.00 2.01 C ATOM 735 CE1 PHE A 49 -15.769 8.811 0.508 1.00 2.07 C ATOM 736 CE2 PHE A 49 -14.464 7.460 -1.036 1.00 1.98 C ATOM 737 CZ PHE A 49 -15.713 7.880 -0.539 1.00 1.12 C ATOM 0 H PHE A 49 -11.961 7.043 2.152 1.00 0.92 H new ATOM 0 HA PHE A 49 -10.620 9.613 2.671 1.00 0.89 H new ATOM 0 HB2 PHE A 49 -12.273 10.677 1.206 1.00 0.98 H new ATOM 0 HB3 PHE A 49 -11.286 9.529 0.323 1.00 0.98 H new ATOM 0 HD1 PHE A 49 -14.631 10.077 1.829 1.00 1.96 H new ATOM 0 HD2 PHE A 49 -12.320 7.678 -0.899 1.00 2.01 H new ATOM 0 HE1 PHE A 49 -16.724 9.114 0.911 1.00 2.07 H new ATOM 0 HE2 PHE A 49 -14.419 6.723 -1.824 1.00 1.98 H new ATOM 0 HZ PHE A 49 -16.625 7.486 -0.963 1.00 1.12 H new ATOM 747 N MET A 50 -12.659 10.549 3.938 1.00 0.69 N ATOM 748 CA MET A 50 -13.703 11.054 4.826 1.00 0.67 C ATOM 749 C MET A 50 -14.748 11.824 4.007 1.00 0.59 C ATOM 750 O MET A 50 -14.404 12.492 3.032 1.00 0.59 O ATOM 751 CB MET A 50 -13.048 11.934 5.904 1.00 0.79 C ATOM 752 CG MET A 50 -14.119 12.520 6.822 1.00 1.88 C ATOM 753 SD MET A 50 -13.516 13.313 8.332 1.00 2.28 S ATOM 754 CE MET A 50 -13.261 14.993 7.708 1.00 3.30 C ATOM 0 H MET A 50 -12.022 11.283 3.628 1.00 0.69 H new ATOM 0 HA MET A 50 -14.221 10.234 5.323 1.00 0.67 H new ATOM 0 HB2 MET A 50 -12.341 11.344 6.487 1.00 0.79 H new ATOM 0 HB3 MET A 50 -12.481 12.737 5.434 1.00 0.79 H new ATOM 0 HG2 MET A 50 -14.695 13.252 6.256 1.00 1.88 H new ATOM 0 HG3 MET A 50 -14.806 11.722 7.103 1.00 1.88 H new ATOM 0 HE1 MET A 50 -12.887 15.627 8.512 1.00 3.30 H new ATOM 0 HE2 MET A 50 -12.536 14.973 6.894 1.00 3.30 H new ATOM 0 HE3 MET A 50 -14.207 15.392 7.341 1.00 3.30 H new ATOM 764 N ARG A 51 -16.023 11.740 4.398 1.00 0.63 N ATOM 765 CA ARG A 51 -17.150 12.343 3.674 1.00 0.67 C ATOM 766 C ARG A 51 -18.302 12.708 4.620 1.00 0.78 C ATOM 767 O ARG A 51 -18.525 12.052 5.638 1.00 0.83 O ATOM 768 CB ARG A 51 -17.626 11.367 2.578 1.00 0.82 C ATOM 769 CG ARG A 51 -17.734 11.995 1.172 1.00 1.85 C ATOM 770 CD ARG A 51 -19.166 12.455 0.901 1.00 2.45 C ATOM 771 NE ARG A 51 -19.278 13.296 -0.303 1.00 3.78 N ATOM 772 CZ ARG A 51 -20.285 14.121 -0.587 1.00 4.79 C ATOM 773 NH1 ARG A 51 -21.295 14.308 0.238 1.00 4.94 N ATOM 774 NH2 ARG A 51 -20.287 14.783 -1.726 1.00 6.11 N ATOM 0 H ARG A 51 -16.308 11.242 5.242 1.00 0.63 H new ATOM 0 HA ARG A 51 -16.813 13.272 3.214 1.00 0.67 H new ATOM 0 HB2 ARG A 51 -16.937 10.524 2.535 1.00 0.82 H new ATOM 0 HB3 ARG A 51 -18.600 10.968 2.861 1.00 0.82 H new ATOM 0 HG2 ARG A 51 -17.052 12.842 1.092 1.00 1.85 H new ATOM 0 HG3 ARG A 51 -17.430 11.269 0.418 1.00 1.85 H new ATOM 0 HD2 ARG A 51 -19.808 11.581 0.789 1.00 2.45 H new ATOM 0 HD3 ARG A 51 -19.533 13.012 1.763 1.00 2.45 H new ATOM 0 HE ARG A 51 -18.517 13.242 -0.980 1.00 3.78 H new ATOM 0 HH11 ARG A 51 -21.324 13.813 1.129 1.00 4.94 H new ATOM 0 HH12 ARG A 51 -22.048 14.948 -0.014 1.00 4.94 H new ATOM 0 HH21 ARG A 51 -19.519 14.663 -2.387 1.00 6.11 H new ATOM 0 HH22 ARG A 51 -21.056 15.415 -1.947 1.00 6.11 H new ATOM 788 N GLU A 52 -19.063 13.738 4.269 1.00 0.90 N ATOM 789 CA GLU A 52 -20.309 14.120 4.894 1.00 1.00 C ATOM 790 C GLU A 52 -21.494 13.522 4.120 1.00 1.13 C ATOM 791 O GLU A 52 -21.463 13.484 2.891 1.00 1.30 O ATOM 792 CB GLU A 52 -20.367 15.645 4.801 1.00 1.30 C ATOM 793 CG GLU A 52 -21.254 16.228 5.881 1.00 1.38 C ATOM 794 CD GLU A 52 -20.510 16.362 7.206 1.00 1.61 C ATOM 795 OE1 GLU A 52 -19.472 17.056 7.250 1.00 2.84 O ATOM 796 OE2 GLU A 52 -20.928 15.743 8.206 1.00 2.04 O ATOM 0 H GLU A 52 -18.808 14.357 3.500 1.00 0.90 H new ATOM 0 HA GLU A 52 -20.364 13.765 5.923 1.00 1.00 H new ATOM 0 HB2 GLU A 52 -19.361 16.056 4.892 1.00 1.30 H new ATOM 0 HB3 GLU A 52 -20.743 15.938 3.821 1.00 1.30 H new ATOM 0 HG2 GLU A 52 -21.617 17.206 5.566 1.00 1.38 H new ATOM 0 HG3 GLU A 52 -22.129 15.592 6.017 1.00 1.38 H new ATOM 803 N VAL A 53 -22.541 13.097 4.818 1.00 1.19 N ATOM 804 CA VAL A 53 -23.832 12.692 4.242 1.00 1.42 C ATOM 805 C VAL A 53 -24.899 13.672 4.748 1.00 1.86 C ATOM 806 O VAL A 53 -24.889 14.850 4.404 1.00 3.65 O ATOM 807 CB VAL A 53 -24.109 11.178 4.474 1.00 1.58 C ATOM 808 CG1 VAL A 53 -25.330 10.696 3.664 1.00 2.25 C ATOM 809 CG2 VAL A 53 -22.904 10.306 4.065 1.00 2.14 C ATOM 0 H VAL A 53 -22.521 13.020 5.835 1.00 1.19 H new ATOM 0 HA VAL A 53 -23.838 12.765 3.154 1.00 1.42 H new ATOM 0 HB VAL A 53 -24.299 11.070 5.542 1.00 1.58 H new ATOM 0 HG11 VAL A 53 -25.494 9.635 3.850 1.00 2.25 H new ATOM 0 HG12 VAL A 53 -26.213 11.258 3.968 1.00 2.25 H new ATOM 0 HG13 VAL A 53 -25.147 10.854 2.601 1.00 2.25 H new ATOM 0 HG21 VAL A 53 -23.138 9.256 4.242 1.00 2.14 H new ATOM 0 HG22 VAL A 53 -22.689 10.456 3.007 1.00 2.14 H new ATOM 0 HG23 VAL A 53 -22.033 10.589 4.656 1.00 2.14 H new ATOM 819 N GLU A 54 -25.774 13.168 5.601 1.00 1.54 N ATOM 820 CA GLU A 54 -26.907 13.784 6.307 1.00 1.64 C ATOM 821 C GLU A 54 -26.461 14.812 7.381 1.00 1.55 C ATOM 822 O GLU A 54 -26.878 14.737 8.533 1.00 1.64 O ATOM 823 CB GLU A 54 -27.651 12.581 6.916 1.00 1.77 C ATOM 824 CG GLU A 54 -29.057 12.804 7.501 1.00 2.69 C ATOM 825 CD GLU A 54 -29.363 11.706 8.527 1.00 3.22 C ATOM 826 OE1 GLU A 54 -28.952 10.544 8.312 1.00 3.26 O ATOM 827 OE2 GLU A 54 -29.855 12.012 9.637 1.00 4.32 O ATOM 0 H GLU A 54 -25.704 12.183 5.855 1.00 1.54 H new ATOM 0 HA GLU A 54 -27.537 14.374 5.641 1.00 1.64 H new ATOM 0 HB2 GLU A 54 -27.731 11.816 6.144 1.00 1.77 H new ATOM 0 HB3 GLU A 54 -27.024 12.170 7.708 1.00 1.77 H new ATOM 0 HG2 GLU A 54 -29.115 13.785 7.973 1.00 2.69 H new ATOM 0 HG3 GLU A 54 -29.801 12.790 6.704 1.00 2.69 H new ATOM 834 N GLY A 55 -25.504 15.698 7.067 1.00 1.55 N ATOM 835 CA GLY A 55 -24.808 16.523 8.074 1.00 1.63 C ATOM 836 C GLY A 55 -23.976 15.685 9.056 1.00 1.46 C ATOM 837 O GLY A 55 -23.632 16.138 10.147 1.00 1.64 O ATOM 0 H GLY A 55 -25.189 15.865 6.111 1.00 1.55 H new ATOM 0 HA2 GLY A 55 -24.156 17.234 7.567 1.00 1.63 H new ATOM 0 HA3 GLY A 55 -25.542 17.105 8.631 1.00 1.63 H new ATOM 841 N LYS A 56 -23.693 14.436 8.676 1.00 1.24 N ATOM 842 CA LYS A 56 -23.138 13.366 9.485 1.00 1.16 C ATOM 843 C LYS A 56 -22.003 12.717 8.681 1.00 1.03 C ATOM 844 O LYS A 56 -22.106 12.467 7.477 1.00 1.17 O ATOM 845 CB LYS A 56 -24.264 12.368 9.841 1.00 1.34 C ATOM 846 CG LYS A 56 -25.213 12.928 10.925 1.00 1.66 C ATOM 847 CD LYS A 56 -26.643 12.366 10.863 1.00 1.97 C ATOM 848 CE LYS A 56 -26.763 10.874 11.198 1.00 2.00 C ATOM 849 NZ LYS A 56 -28.123 10.377 10.873 1.00 2.46 N ATOM 0 H LYS A 56 -23.862 14.131 7.718 1.00 1.24 H new ATOM 0 HA LYS A 56 -22.728 13.732 10.426 1.00 1.16 H new ATOM 0 HB2 LYS A 56 -24.837 12.133 8.944 1.00 1.34 H new ATOM 0 HB3 LYS A 56 -23.824 11.435 10.192 1.00 1.34 H new ATOM 0 HG2 LYS A 56 -24.792 12.712 11.907 1.00 1.66 H new ATOM 0 HG3 LYS A 56 -25.257 14.013 10.828 1.00 1.66 H new ATOM 0 HD2 LYS A 56 -27.270 12.930 11.553 1.00 1.97 H new ATOM 0 HD3 LYS A 56 -27.041 12.532 9.862 1.00 1.97 H new ATOM 0 HE2 LYS A 56 -26.019 10.308 10.637 1.00 2.00 H new ATOM 0 HE3 LYS A 56 -26.554 10.715 12.256 1.00 2.00 H new ATOM 0 HZ1 LYS A 56 -28.405 9.658 11.569 1.00 2.46 H new ATOM 0 HZ2 LYS A 56 -28.797 11.168 10.900 1.00 2.46 H new ATOM 0 HZ3 LYS A 56 -28.121 9.956 9.922 1.00 2.46 H new ATOM 863 N LYS A 57 -20.894 12.487 9.366 1.00 1.04 N ATOM 864 CA LYS A 57 -19.591 12.124 8.813 1.00 1.08 C ATOM 865 C LYS A 57 -19.437 10.604 8.737 1.00 1.19 C ATOM 866 O LYS A 57 -19.735 9.899 9.695 1.00 1.42 O ATOM 867 CB LYS A 57 -18.465 12.789 9.639 1.00 1.20 C ATOM 868 CG LYS A 57 -18.697 14.305 9.685 1.00 2.00 C ATOM 869 CD LYS A 57 -17.637 15.167 10.374 1.00 2.25 C ATOM 870 CE LYS A 57 -18.246 16.505 10.854 1.00 2.60 C ATOM 871 NZ LYS A 57 -19.185 17.121 9.875 1.00 2.98 N ATOM 0 H LYS A 57 -20.874 12.552 10.384 1.00 1.04 H new ATOM 0 HA LYS A 57 -19.516 12.497 7.792 1.00 1.08 H new ATOM 0 HB2 LYS A 57 -18.450 12.381 10.650 1.00 1.20 H new ATOM 0 HB3 LYS A 57 -17.494 12.571 9.193 1.00 1.20 H new ATOM 0 HG2 LYS A 57 -18.802 14.659 8.660 1.00 2.00 H new ATOM 0 HG3 LYS A 57 -19.650 14.483 10.183 1.00 2.00 H new ATOM 0 HD2 LYS A 57 -17.218 14.627 11.223 1.00 2.25 H new ATOM 0 HD3 LYS A 57 -16.816 15.362 9.684 1.00 2.25 H new ATOM 0 HE2 LYS A 57 -18.773 16.338 11.794 1.00 2.60 H new ATOM 0 HE3 LYS A 57 -17.439 17.208 11.062 1.00 2.60 H new ATOM 0 HZ1 LYS A 57 -19.316 18.127 10.105 1.00 2.98 H new ATOM 0 HZ2 LYS A 57 -18.793 17.034 8.916 1.00 2.98 H new ATOM 0 HZ3 LYS A 57 -20.102 16.633 9.920 1.00 2.98 H new ATOM 885 N VAL A 58 -18.985 10.121 7.588 1.00 1.12 N ATOM 886 CA VAL A 58 -18.815 8.699 7.246 1.00 1.26 C ATOM 887 C VAL A 58 -17.555 8.559 6.384 1.00 1.16 C ATOM 888 O VAL A 58 -17.251 9.448 5.591 1.00 1.34 O ATOM 889 CB VAL A 58 -20.049 8.135 6.487 1.00 1.41 C ATOM 890 CG1 VAL A 58 -20.025 6.597 6.465 1.00 2.06 C ATOM 891 CG2 VAL A 58 -21.400 8.569 7.088 1.00 2.26 C ATOM 0 H VAL A 58 -18.710 10.736 6.822 1.00 1.12 H new ATOM 0 HA VAL A 58 -18.717 8.123 8.166 1.00 1.26 H new ATOM 0 HB VAL A 58 -19.971 8.549 5.482 1.00 1.41 H new ATOM 0 HG11 VAL A 58 -20.899 6.227 5.928 1.00 2.06 H new ATOM 0 HG12 VAL A 58 -19.120 6.254 5.964 1.00 2.06 H new ATOM 0 HG13 VAL A 58 -20.040 6.218 7.487 1.00 2.06 H new ATOM 0 HG21 VAL A 58 -22.213 8.137 6.505 1.00 2.26 H new ATOM 0 HG22 VAL A 58 -21.468 8.222 8.119 1.00 2.26 H new ATOM 0 HG23 VAL A 58 -21.476 9.656 7.066 1.00 2.26 H new ATOM 901 N MET A 59 -16.798 7.469 6.545 1.00 0.97 N ATOM 902 CA MET A 59 -15.649 7.160 5.682 1.00 0.90 C ATOM 903 C MET A 59 -16.043 6.349 4.444 1.00 0.88 C ATOM 904 O MET A 59 -17.130 5.779 4.374 1.00 0.95 O ATOM 905 CB MET A 59 -14.544 6.438 6.465 1.00 0.97 C ATOM 906 CG MET A 59 -13.850 7.394 7.439 1.00 1.03 C ATOM 907 SD MET A 59 -12.465 6.639 8.325 1.00 2.18 S ATOM 908 CE MET A 59 -13.325 6.082 9.815 1.00 3.14 C ATOM 0 H MET A 59 -16.962 6.776 7.275 1.00 0.97 H new ATOM 0 HA MET A 59 -15.262 8.117 5.332 1.00 0.90 H new ATOM 0 HB2 MET A 59 -14.971 5.599 7.015 1.00 0.97 H new ATOM 0 HB3 MET A 59 -13.812 6.025 5.771 1.00 0.97 H new ATOM 0 HG2 MET A 59 -13.489 8.263 6.888 1.00 1.03 H new ATOM 0 HG3 MET A 59 -14.580 7.756 8.163 1.00 1.03 H new ATOM 0 HE1 MET A 59 -12.617 5.589 10.481 1.00 3.14 H new ATOM 0 HE2 MET A 59 -13.764 6.940 10.324 1.00 3.14 H new ATOM 0 HE3 MET A 59 -14.113 5.381 9.540 1.00 3.14 H new ATOM 918 N GLY A 60 -15.134 6.288 3.474 1.00 0.85 N ATOM 919 CA GLY A 60 -15.260 5.480 2.268 1.00 0.89 C ATOM 920 C GLY A 60 -13.914 4.977 1.767 1.00 0.86 C ATOM 921 O GLY A 60 -12.875 5.248 2.357 1.00 0.86 O ATOM 0 H GLY A 60 -14.263 6.817 3.509 1.00 0.85 H new ATOM 0 HA2 GLY A 60 -15.911 4.629 2.470 1.00 0.89 H new ATOM 0 HA3 GLY A 60 -15.739 6.070 1.486 1.00 0.89 H new ATOM 925 N MET A 61 -13.931 4.238 0.663 1.00 0.87 N ATOM 926 CA MET A 61 -12.749 3.733 -0.029 1.00 0.80 C ATOM 927 C MET A 61 -13.038 3.669 -1.525 1.00 0.74 C ATOM 928 O MET A 61 -14.173 3.402 -1.922 1.00 0.81 O ATOM 929 CB MET A 61 -12.413 2.360 0.568 1.00 0.94 C ATOM 930 CG MET A 61 -11.330 1.568 -0.172 1.00 0.87 C ATOM 931 SD MET A 61 -11.111 -0.166 0.353 1.00 0.72 S ATOM 932 CE MET A 61 -11.401 -0.034 2.134 1.00 1.14 C ATOM 0 H MET A 61 -14.801 3.963 0.208 1.00 0.87 H new ATOM 0 HA MET A 61 -11.886 4.386 0.101 1.00 0.80 H new ATOM 0 HB2 MET A 61 -12.095 2.500 1.601 1.00 0.94 H new ATOM 0 HB3 MET A 61 -13.323 1.761 0.593 1.00 0.94 H new ATOM 0 HG2 MET A 61 -11.563 1.578 -1.237 1.00 0.87 H new ATOM 0 HG3 MET A 61 -10.380 2.087 -0.049 1.00 0.87 H new ATOM 0 HE1 MET A 61 -11.096 -0.960 2.622 1.00 1.14 H new ATOM 0 HE2 MET A 61 -10.821 0.796 2.537 1.00 1.14 H new ATOM 0 HE3 MET A 61 -12.461 0.141 2.318 1.00 1.14 H new ATOM 942 N ARG A 62 -12.018 3.895 -2.356 1.00 0.66 N ATOM 943 CA ARG A 62 -12.104 3.790 -3.819 1.00 0.65 C ATOM 944 C ARG A 62 -10.713 3.515 -4.420 1.00 0.53 C ATOM 945 O ARG A 62 -9.716 3.866 -3.782 1.00 0.49 O ATOM 946 CB ARG A 62 -12.793 5.045 -4.405 1.00 0.85 C ATOM 947 CG ARG A 62 -11.960 6.329 -4.319 1.00 1.39 C ATOM 948 CD ARG A 62 -12.653 7.510 -5.010 1.00 1.62 C ATOM 949 NE ARG A 62 -11.842 8.719 -4.843 1.00 2.69 N ATOM 950 CZ ARG A 62 -11.338 9.541 -5.746 1.00 3.65 C ATOM 951 NH1 ARG A 62 -11.740 9.560 -7.000 1.00 3.84 N ATOM 952 NH2 ARG A 62 -10.398 10.372 -5.366 1.00 4.62 N ATOM 0 H ARG A 62 -11.090 4.161 -2.027 1.00 0.66 H new ATOM 0 HA ARG A 62 -12.728 2.939 -4.093 1.00 0.65 H new ATOM 0 HB2 ARG A 62 -13.037 4.855 -5.450 1.00 0.85 H new ATOM 0 HB3 ARG A 62 -13.736 5.203 -3.882 1.00 0.85 H new ATOM 0 HG2 ARG A 62 -11.781 6.576 -3.273 1.00 1.39 H new ATOM 0 HG3 ARG A 62 -10.986 6.161 -4.778 1.00 1.39 H new ATOM 0 HD2 ARG A 62 -12.791 7.295 -6.070 1.00 1.62 H new ATOM 0 HD3 ARG A 62 -13.645 7.663 -4.584 1.00 1.62 H new ATOM 0 HE ARG A 62 -11.633 8.965 -3.875 1.00 2.69 H new ATOM 0 HH11 ARG A 62 -12.472 8.921 -7.311 1.00 3.84 H new ATOM 0 HH12 ARG A 62 -11.320 10.214 -7.660 1.00 3.84 H new ATOM 0 HH21 ARG A 62 -10.077 10.371 -4.398 1.00 4.62 H new ATOM 0 HH22 ARG A 62 -9.988 11.020 -6.039 1.00 4.62 H new ATOM 966 N PRO A 63 -10.607 2.883 -5.603 1.00 0.51 N ATOM 967 CA PRO A 63 -9.329 2.711 -6.278 1.00 0.44 C ATOM 968 C PRO A 63 -8.848 4.034 -6.878 1.00 0.42 C ATOM 969 O PRO A 63 -9.657 4.923 -7.150 1.00 0.46 O ATOM 970 CB PRO A 63 -9.565 1.640 -7.342 1.00 0.48 C ATOM 971 CG PRO A 63 -11.030 1.861 -7.718 1.00 0.56 C ATOM 972 CD PRO A 63 -11.671 2.270 -6.391 1.00 0.60 C ATOM 0 HA PRO A 63 -8.540 2.402 -5.592 1.00 0.44 H new ATOM 0 HB2 PRO A 63 -8.903 1.767 -8.199 1.00 0.48 H new ATOM 0 HB3 PRO A 63 -9.393 0.637 -6.952 1.00 0.48 H new ATOM 0 HG2 PRO A 63 -11.139 2.638 -8.475 1.00 0.56 H new ATOM 0 HG3 PRO A 63 -11.483 0.956 -8.123 1.00 0.56 H new ATOM 0 HD2 PRO A 63 -12.490 2.971 -6.553 1.00 0.60 H new ATOM 0 HD3 PRO A 63 -12.089 1.405 -5.876 1.00 0.60 H new ATOM 980 N VAL A 64 -7.533 4.148 -7.078 1.00 0.38 N ATOM 981 CA VAL A 64 -6.853 5.333 -7.635 1.00 0.36 C ATOM 982 C VAL A 64 -5.779 4.900 -8.657 1.00 0.35 C ATOM 983 O VAL A 64 -5.317 3.759 -8.578 1.00 0.37 O ATOM 984 CB VAL A 64 -6.246 6.220 -6.519 1.00 0.37 C ATOM 985 CG1 VAL A 64 -7.338 6.791 -5.606 1.00 0.55 C ATOM 986 CG2 VAL A 64 -5.186 5.503 -5.671 1.00 0.52 C ATOM 0 H VAL A 64 -6.884 3.394 -6.850 1.00 0.38 H new ATOM 0 HA VAL A 64 -7.596 5.939 -8.153 1.00 0.36 H new ATOM 0 HB VAL A 64 -5.742 7.034 -7.040 1.00 0.37 H new ATOM 0 HG11 VAL A 64 -6.880 7.409 -4.833 1.00 0.55 H new ATOM 0 HG12 VAL A 64 -8.025 7.398 -6.196 1.00 0.55 H new ATOM 0 HG13 VAL A 64 -7.886 5.973 -5.139 1.00 0.55 H new ATOM 0 HG21 VAL A 64 -4.806 6.185 -4.911 1.00 0.52 H new ATOM 0 HG22 VAL A 64 -5.633 4.634 -5.188 1.00 0.52 H new ATOM 0 HG23 VAL A 64 -4.365 5.180 -6.311 1.00 0.52 H new ATOM 996 N PRO A 65 -5.394 5.749 -9.636 1.00 0.37 N ATOM 997 CA PRO A 65 -4.608 5.319 -10.795 1.00 0.41 C ATOM 998 C PRO A 65 -3.104 5.238 -10.516 1.00 0.39 C ATOM 999 O PRO A 65 -2.413 4.502 -11.215 1.00 0.42 O ATOM 1000 CB PRO A 65 -4.924 6.352 -11.880 1.00 0.47 C ATOM 1001 CG PRO A 65 -5.137 7.637 -11.086 1.00 0.45 C ATOM 1002 CD PRO A 65 -5.796 7.141 -9.800 1.00 0.40 C ATOM 0 HA PRO A 65 -4.873 4.303 -11.089 1.00 0.41 H new ATOM 0 HB2 PRO A 65 -4.106 6.450 -12.593 1.00 0.47 H new ATOM 0 HB3 PRO A 65 -5.812 6.079 -12.450 1.00 0.47 H new ATOM 0 HG2 PRO A 65 -4.196 8.148 -10.886 1.00 0.45 H new ATOM 0 HG3 PRO A 65 -5.775 8.341 -11.621 1.00 0.45 H new ATOM 0 HD2 PRO A 65 -5.478 7.739 -8.946 1.00 0.40 H new ATOM 0 HD3 PRO A 65 -6.881 7.226 -9.863 1.00 0.40 H new ATOM 1010 N PHE A 66 -2.616 5.983 -9.517 1.00 0.37 N ATOM 1011 CA PHE A 66 -1.217 6.043 -9.071 1.00 0.36 C ATOM 1012 C PHE A 66 -1.057 6.984 -7.869 1.00 0.39 C ATOM 1013 O PHE A 66 -1.926 7.816 -7.602 1.00 0.42 O ATOM 1014 CB PHE A 66 -0.267 6.462 -10.211 1.00 0.38 C ATOM 1015 CG PHE A 66 -0.529 7.844 -10.771 1.00 0.40 C ATOM 1016 CD1 PHE A 66 0.073 8.961 -10.170 1.00 1.69 C ATOM 1017 CD2 PHE A 66 -1.405 8.016 -11.855 1.00 1.62 C ATOM 1018 CE1 PHE A 66 -0.220 10.255 -10.620 1.00 1.68 C ATOM 1019 CE2 PHE A 66 -1.683 9.312 -12.330 1.00 1.66 C ATOM 1020 CZ PHE A 66 -1.095 10.432 -11.707 1.00 0.47 C ATOM 0 H PHE A 66 -3.219 6.594 -8.967 1.00 0.37 H new ATOM 0 HA PHE A 66 -0.940 5.035 -8.761 1.00 0.36 H new ATOM 0 HB2 PHE A 66 0.759 6.420 -9.846 1.00 0.38 H new ATOM 0 HB3 PHE A 66 -0.347 5.735 -11.019 1.00 0.38 H new ATOM 0 HD1 PHE A 66 0.767 8.822 -9.355 1.00 1.69 H new ATOM 0 HD2 PHE A 66 -1.864 7.157 -12.323 1.00 1.62 H new ATOM 0 HE1 PHE A 66 0.224 11.112 -10.135 1.00 1.68 H new ATOM 0 HE2 PHE A 66 -2.346 9.448 -13.171 1.00 1.66 H new ATOM 0 HZ PHE A 66 -1.317 11.427 -12.065 1.00 0.47 H new ATOM 1030 N LEU A 67 0.099 6.897 -7.200 1.00 0.41 N ATOM 1031 CA LEU A 67 0.665 7.961 -6.359 1.00 0.45 C ATOM 1032 C LEU A 67 1.913 8.545 -7.031 1.00 0.44 C ATOM 1033 O LEU A 67 2.552 7.868 -7.834 1.00 0.44 O ATOM 1034 CB LEU A 67 1.083 7.422 -4.977 1.00 0.53 C ATOM 1035 CG LEU A 67 0.037 6.601 -4.206 1.00 0.57 C ATOM 1036 CD1 LEU A 67 0.540 6.348 -2.783 1.00 0.72 C ATOM 1037 CD2 LEU A 67 -1.330 7.283 -4.123 1.00 0.57 C ATOM 0 H LEU A 67 0.683 6.062 -7.229 1.00 0.41 H new ATOM 0 HA LEU A 67 -0.105 8.723 -6.234 1.00 0.45 H new ATOM 0 HB2 LEU A 67 1.971 6.803 -5.108 1.00 0.53 H new ATOM 0 HB3 LEU A 67 1.374 8.269 -4.356 1.00 0.53 H new ATOM 0 HG LEU A 67 -0.095 5.670 -4.757 1.00 0.57 H new ATOM 0 HD11 LEU A 67 -0.200 5.766 -2.234 1.00 0.72 H new ATOM 0 HD12 LEU A 67 1.480 5.797 -2.822 1.00 0.72 H new ATOM 0 HD13 LEU A 67 0.699 7.301 -2.279 1.00 0.72 H new ATOM 0 HD21 LEU A 67 -2.020 6.649 -3.566 1.00 0.57 H new ATOM 0 HD22 LEU A 67 -1.228 8.242 -3.615 1.00 0.57 H new ATOM 0 HD23 LEU A 67 -1.718 7.445 -5.129 1.00 0.57 H new ATOM 1049 N GLU A 68 2.311 9.757 -6.663 1.00 0.47 N ATOM 1050 CA GLU A 68 3.596 10.344 -7.040 1.00 0.53 C ATOM 1051 C GLU A 68 4.336 10.830 -5.797 1.00 0.62 C ATOM 1052 O GLU A 68 3.691 11.180 -4.808 1.00 0.72 O ATOM 1053 CB GLU A 68 3.381 11.485 -8.045 1.00 0.76 C ATOM 1054 CG GLU A 68 4.712 12.138 -8.461 1.00 0.92 C ATOM 1055 CD GLU A 68 4.695 12.590 -9.923 1.00 0.80 C ATOM 1056 OE1 GLU A 68 4.418 11.716 -10.784 1.00 1.45 O ATOM 1057 OE2 GLU A 68 5.001 13.765 -10.204 1.00 1.90 O ATOM 0 H GLU A 68 1.741 10.373 -6.083 1.00 0.47 H new ATOM 0 HA GLU A 68 4.211 9.584 -7.521 1.00 0.53 H new ATOM 0 HB2 GLU A 68 2.873 11.100 -8.929 1.00 0.76 H new ATOM 0 HB3 GLU A 68 2.728 12.239 -7.605 1.00 0.76 H new ATOM 0 HG2 GLU A 68 4.912 12.996 -7.818 1.00 0.92 H new ATOM 0 HG3 GLU A 68 5.527 11.430 -8.310 1.00 0.92 H new ATOM 1064 N VAL A 69 5.672 10.862 -5.858 1.00 0.69 N ATOM 1065 CA VAL A 69 6.520 11.448 -4.825 1.00 0.80 C ATOM 1066 C VAL A 69 7.648 12.288 -5.455 1.00 0.81 C ATOM 1067 O VAL A 69 8.161 11.903 -6.506 1.00 0.86 O ATOM 1068 CB VAL A 69 7.089 10.333 -3.896 1.00 0.89 C ATOM 1069 CG1 VAL A 69 7.955 10.862 -2.738 1.00 0.96 C ATOM 1070 CG2 VAL A 69 5.969 9.485 -3.261 1.00 1.01 C ATOM 0 H VAL A 69 6.198 10.474 -6.641 1.00 0.69 H new ATOM 0 HA VAL A 69 5.915 12.118 -4.214 1.00 0.80 H new ATOM 0 HB VAL A 69 7.710 9.735 -4.563 1.00 0.89 H new ATOM 0 HG11 VAL A 69 8.312 10.024 -2.139 1.00 0.96 H new ATOM 0 HG12 VAL A 69 8.807 11.409 -3.141 1.00 0.96 H new ATOM 0 HG13 VAL A 69 7.360 11.527 -2.113 1.00 0.96 H new ATOM 0 HG21 VAL A 69 6.410 8.720 -2.622 1.00 1.01 H new ATOM 0 HG22 VAL A 69 5.320 10.127 -2.665 1.00 1.01 H new ATOM 0 HG23 VAL A 69 5.384 9.008 -4.047 1.00 1.01 H new ATOM 1080 N PRO A 70 8.016 13.445 -4.860 1.00 0.86 N ATOM 1081 CA PRO A 70 9.091 14.308 -5.346 1.00 0.91 C ATOM 1082 C PRO A 70 10.485 13.849 -4.868 1.00 0.96 C ATOM 1083 O PRO A 70 10.598 13.209 -3.818 1.00 1.11 O ATOM 1084 CB PRO A 70 8.758 15.702 -4.805 1.00 0.97 C ATOM 1085 CG PRO A 70 8.080 15.393 -3.472 1.00 0.99 C ATOM 1086 CD PRO A 70 7.296 14.124 -3.786 1.00 0.93 C ATOM 0 HA PRO A 70 9.145 14.284 -6.434 1.00 0.91 H new ATOM 0 HB2 PRO A 70 9.653 16.309 -4.672 1.00 0.97 H new ATOM 0 HB3 PRO A 70 8.098 16.250 -5.477 1.00 0.97 H new ATOM 0 HG2 PRO A 70 8.806 15.234 -2.675 1.00 0.99 H new ATOM 0 HG3 PRO A 70 7.427 16.205 -3.151 1.00 0.99 H new ATOM 0 HD2 PRO A 70 7.222 13.486 -2.905 1.00 0.93 H new ATOM 0 HD3 PRO A 70 6.278 14.363 -4.093 1.00 0.93 H new ATOM 1094 N PRO A 71 11.557 14.214 -5.602 1.00 0.90 N ATOM 1095 CA PRO A 71 12.920 13.758 -5.347 1.00 0.84 C ATOM 1096 C PRO A 71 13.476 14.160 -3.982 1.00 0.88 C ATOM 1097 O PRO A 71 13.237 15.259 -3.487 1.00 0.99 O ATOM 1098 CB PRO A 71 13.771 14.272 -6.505 1.00 0.81 C ATOM 1099 CG PRO A 71 12.968 15.435 -7.076 1.00 0.85 C ATOM 1100 CD PRO A 71 11.528 15.004 -6.824 1.00 0.87 C ATOM 0 HA PRO A 71 12.935 12.669 -5.299 1.00 0.84 H new ATOM 0 HB2 PRO A 71 14.753 14.597 -6.163 1.00 0.81 H new ATOM 0 HB3 PRO A 71 13.935 13.496 -7.253 1.00 0.81 H new ATOM 0 HG2 PRO A 71 13.203 16.374 -6.575 1.00 0.85 H new ATOM 0 HG3 PRO A 71 13.167 15.582 -8.138 1.00 0.85 H new ATOM 0 HD2 PRO A 71 10.875 15.870 -6.714 1.00 0.87 H new ATOM 0 HD3 PRO A 71 11.144 14.418 -7.659 1.00 0.87 H new ATOM 1108 N LYS A 72 14.204 13.215 -3.372 1.00 0.87 N ATOM 1109 CA LYS A 72 14.810 13.270 -2.030 1.00 0.97 C ATOM 1110 C LYS A 72 13.782 13.243 -0.882 1.00 1.07 C ATOM 1111 O LYS A 72 14.159 13.044 0.273 1.00 1.25 O ATOM 1112 CB LYS A 72 15.810 14.435 -1.915 1.00 1.09 C ATOM 1113 CG LYS A 72 16.781 14.545 -3.103 1.00 1.26 C ATOM 1114 CD LYS A 72 17.610 13.275 -3.366 1.00 1.02 C ATOM 1115 CE LYS A 72 18.348 13.437 -4.696 1.00 1.42 C ATOM 1116 NZ LYS A 72 19.193 12.269 -5.032 1.00 1.59 N ATOM 0 H LYS A 72 14.400 12.327 -3.835 1.00 0.87 H new ATOM 0 HA LYS A 72 15.375 12.346 -1.910 1.00 0.97 H new ATOM 0 HB2 LYS A 72 15.255 15.369 -1.825 1.00 1.09 H new ATOM 0 HB3 LYS A 72 16.386 14.316 -0.998 1.00 1.09 H new ATOM 0 HG2 LYS A 72 16.212 14.785 -4.001 1.00 1.26 H new ATOM 0 HG3 LYS A 72 17.461 15.378 -2.925 1.00 1.26 H new ATOM 0 HD2 LYS A 72 18.322 13.114 -2.556 1.00 1.02 H new ATOM 0 HD3 LYS A 72 16.961 12.400 -3.398 1.00 1.02 H new ATOM 0 HE2 LYS A 72 17.621 13.594 -5.493 1.00 1.42 H new ATOM 0 HE3 LYS A 72 18.972 14.330 -4.653 1.00 1.42 H new ATOM 0 HZ1 LYS A 72 19.065 12.025 -6.035 1.00 1.59 H new ATOM 0 HZ2 LYS A 72 20.191 12.501 -4.856 1.00 1.59 H new ATOM 0 HZ3 LYS A 72 18.917 11.459 -4.441 1.00 1.59 H new ATOM 1130 N GLY A 73 12.491 13.350 -1.196 1.00 1.11 N ATOM 1131 CA GLY A 73 11.382 13.239 -0.248 1.00 1.21 C ATOM 1132 C GLY A 73 11.066 11.787 0.122 1.00 1.13 C ATOM 1133 O GLY A 73 11.531 10.840 -0.515 1.00 1.07 O ATOM 0 H GLY A 73 12.177 13.522 -2.151 1.00 1.11 H new ATOM 0 HA2 GLY A 73 11.625 13.796 0.657 1.00 1.21 H new ATOM 0 HA3 GLY A 73 10.494 13.702 -0.678 1.00 1.21 H new ATOM 1137 N ARG A 74 10.263 11.636 1.177 1.00 1.25 N ATOM 1138 CA ARG A 74 9.670 10.405 1.656 1.00 1.20 C ATOM 1139 C ARG A 74 8.210 10.715 1.998 1.00 1.62 C ATOM 1140 O ARG A 74 7.946 11.747 2.613 1.00 2.18 O ATOM 1141 CB ARG A 74 10.465 9.921 2.880 1.00 1.64 C ATOM 1142 CG ARG A 74 9.653 8.913 3.689 1.00 1.60 C ATOM 1143 CD ARG A 74 10.458 7.939 4.527 1.00 1.91 C ATOM 1144 NE ARG A 74 10.869 8.418 5.847 1.00 2.34 N ATOM 1145 CZ ARG A 74 12.109 8.619 6.246 1.00 3.34 C ATOM 1146 NH1 ARG A 74 13.018 9.141 5.448 1.00 4.34 N ATOM 1147 NH2 ARG A 74 12.435 8.266 7.466 1.00 4.19 N ATOM 0 H ARG A 74 9.997 12.434 1.754 1.00 1.25 H new ATOM 0 HA ARG A 74 9.699 9.608 0.913 1.00 1.20 H new ATOM 0 HB2 ARG A 74 11.400 9.465 2.555 1.00 1.64 H new ATOM 0 HB3 ARG A 74 10.727 10.772 3.509 1.00 1.64 H new ATOM 0 HG2 ARG A 74 8.981 9.462 4.349 1.00 1.60 H new ATOM 0 HG3 ARG A 74 9.029 8.342 3.002 1.00 1.60 H new ATOM 0 HD2 ARG A 74 9.870 7.031 4.659 1.00 1.91 H new ATOM 0 HD3 ARG A 74 11.352 7.662 3.968 1.00 1.91 H new ATOM 0 HE ARG A 74 10.128 8.614 6.520 1.00 2.34 H new ATOM 0 HH11 ARG A 74 12.770 9.401 4.494 1.00 4.34 H new ATOM 0 HH12 ARG A 74 13.970 9.285 5.785 1.00 4.34 H new ATOM 0 HH21 ARG A 74 11.736 7.847 8.080 1.00 4.19 H new ATOM 0 HH22 ARG A 74 13.388 8.410 7.801 1.00 4.19 H new ATOM 1161 N VAL A 75 7.298 9.833 1.606 1.00 1.64 N ATOM 1162 CA VAL A 75 5.850 9.926 1.880 1.00 2.31 C ATOM 1163 C VAL A 75 5.276 8.513 1.978 1.00 1.79 C ATOM 1164 O VAL A 75 5.644 7.655 1.190 1.00 1.74 O ATOM 1165 CB VAL A 75 5.076 10.705 0.783 1.00 3.22 C ATOM 1166 CG1 VAL A 75 3.577 10.836 1.127 1.00 4.02 C ATOM 1167 CG2 VAL A 75 5.617 12.125 0.535 1.00 3.71 C ATOM 0 H VAL A 75 7.544 9.001 1.070 1.00 1.64 H new ATOM 0 HA VAL A 75 5.730 10.474 2.815 1.00 2.31 H new ATOM 0 HB VAL A 75 5.218 10.111 -0.120 1.00 3.22 H new ATOM 0 HG11 VAL A 75 3.069 11.387 0.336 1.00 4.02 H new ATOM 0 HG12 VAL A 75 3.137 9.843 1.218 1.00 4.02 H new ATOM 0 HG13 VAL A 75 3.466 11.370 2.070 1.00 4.02 H new ATOM 0 HG21 VAL A 75 5.027 12.608 -0.244 1.00 3.71 H new ATOM 0 HG22 VAL A 75 5.549 12.706 1.455 1.00 3.71 H new ATOM 0 HG23 VAL A 75 6.658 12.067 0.218 1.00 3.71 H new ATOM 1177 N GLU A 76 4.376 8.261 2.922 1.00 1.62 N ATOM 1178 CA GLU A 76 3.740 6.954 3.131 1.00 1.19 C ATOM 1179 C GLU A 76 2.301 6.885 2.601 1.00 1.13 C ATOM 1180 O GLU A 76 1.530 7.850 2.654 1.00 1.31 O ATOM 1181 CB GLU A 76 3.795 6.493 4.604 1.00 1.31 C ATOM 1182 CG GLU A 76 4.369 7.500 5.609 1.00 1.87 C ATOM 1183 CD GLU A 76 3.388 8.658 5.783 1.00 2.45 C ATOM 1184 OE1 GLU A 76 2.272 8.449 6.312 1.00 3.60 O ATOM 1185 OE2 GLU A 76 3.617 9.728 5.166 1.00 2.94 O ATOM 0 H GLU A 76 4.057 8.972 3.581 1.00 1.62 H new ATOM 0 HA GLU A 76 4.336 6.259 2.539 1.00 1.19 H new ATOM 0 HB2 GLU A 76 2.785 6.233 4.919 1.00 1.31 H new ATOM 0 HB3 GLU A 76 4.390 5.581 4.655 1.00 1.31 H new ATOM 0 HG2 GLU A 76 4.547 7.013 6.568 1.00 1.87 H new ATOM 0 HG3 GLU A 76 5.331 7.873 5.258 1.00 1.87 H new ATOM 1192 N LEU A 77 1.905 5.683 2.176 1.00 1.00 N ATOM 1193 CA LEU A 77 0.510 5.275 2.069 1.00 0.98 C ATOM 1194 C LEU A 77 -0.104 5.378 3.478 1.00 1.19 C ATOM 1195 O LEU A 77 0.269 4.631 4.382 1.00 1.95 O ATOM 1196 CB LEU A 77 0.448 3.848 1.471 1.00 0.85 C ATOM 1197 CG LEU A 77 0.709 3.782 -0.050 1.00 0.70 C ATOM 1198 CD1 LEU A 77 2.186 3.592 -0.430 1.00 0.64 C ATOM 1199 CD2 LEU A 77 -0.113 2.648 -0.674 1.00 0.96 C ATOM 0 H LEU A 77 2.561 4.955 1.892 1.00 1.00 H new ATOM 0 HA LEU A 77 -0.066 5.914 1.400 1.00 0.98 H new ATOM 0 HB2 LEU A 77 1.180 3.222 1.981 1.00 0.85 H new ATOM 0 HB3 LEU A 77 -0.534 3.423 1.678 1.00 0.85 H new ATOM 0 HG LEU A 77 0.406 4.753 -0.441 1.00 0.70 H new ATOM 0 HD11 LEU A 77 2.281 3.556 -1.515 1.00 0.64 H new ATOM 0 HD12 LEU A 77 2.772 4.425 -0.042 1.00 0.64 H new ATOM 0 HD13 LEU A 77 2.555 2.659 -0.003 1.00 0.64 H new ATOM 0 HD21 LEU A 77 0.077 2.609 -1.747 1.00 0.96 H new ATOM 0 HD22 LEU A 77 0.172 1.699 -0.220 1.00 0.96 H new ATOM 0 HD23 LEU A 77 -1.174 2.829 -0.500 1.00 0.96 H new ATOM 1211 N LYS A 78 -0.969 6.375 3.698 1.00 1.68 N ATOM 1212 CA LYS A 78 -1.320 6.858 5.042 1.00 1.78 C ATOM 1213 C LYS A 78 -1.950 5.756 5.925 1.00 1.21 C ATOM 1214 O LYS A 78 -2.891 5.125 5.442 1.00 1.00 O ATOM 1215 CB LYS A 78 -2.357 7.997 4.942 1.00 2.34 C ATOM 1216 CG LYS A 78 -2.039 9.185 4.028 1.00 2.18 C ATOM 1217 CD LYS A 78 -1.383 10.391 4.727 1.00 2.26 C ATOM 1218 CE LYS A 78 0.009 10.149 5.318 1.00 1.75 C ATOM 1219 NZ LYS A 78 1.066 10.015 4.293 1.00 2.34 N ATOM 0 H LYS A 78 -1.448 6.872 2.947 1.00 1.68 H new ATOM 0 HA LYS A 78 -0.387 7.195 5.494 1.00 1.78 H new ATOM 0 HB2 LYS A 78 -3.299 7.562 4.608 1.00 2.34 H new ATOM 0 HB3 LYS A 78 -2.524 8.385 5.947 1.00 2.34 H new ATOM 0 HG2 LYS A 78 -1.379 8.843 3.231 1.00 2.18 H new ATOM 0 HG3 LYS A 78 -2.963 9.517 3.556 1.00 2.18 H new ATOM 0 HD2 LYS A 78 -1.314 11.208 4.009 1.00 2.26 H new ATOM 0 HD3 LYS A 78 -2.043 10.725 5.528 1.00 2.26 H new ATOM 0 HE2 LYS A 78 0.261 10.974 5.984 1.00 1.75 H new ATOM 0 HE3 LYS A 78 -0.014 9.244 5.926 1.00 1.75 H new ATOM 0 HZ1 LYS A 78 1.976 10.323 4.691 1.00 2.34 H new ATOM 0 HZ2 LYS A 78 1.137 9.021 3.995 1.00 2.34 H new ATOM 0 HZ3 LYS A 78 0.830 10.607 3.471 1.00 2.34 H new ATOM 1233 N PRO A 79 -1.613 5.657 7.232 1.00 1.63 N ATOM 1234 CA PRO A 79 -2.145 4.647 8.161 1.00 1.84 C ATOM 1235 C PRO A 79 -3.672 4.489 8.173 1.00 1.43 C ATOM 1236 O PRO A 79 -4.145 3.389 8.440 1.00 2.49 O ATOM 1237 CB PRO A 79 -1.642 5.041 9.561 1.00 2.65 C ATOM 1238 CG PRO A 79 -1.108 6.464 9.406 1.00 2.79 C ATOM 1239 CD PRO A 79 -0.688 6.531 7.942 1.00 2.44 C ATOM 0 HA PRO A 79 -1.789 3.672 7.828 1.00 1.84 H new ATOM 0 HB2 PRO A 79 -2.447 5.000 10.295 1.00 2.65 H new ATOM 0 HB3 PRO A 79 -0.862 4.362 9.905 1.00 2.65 H new ATOM 0 HG2 PRO A 79 -1.871 7.206 9.639 1.00 2.79 H new ATOM 0 HG3 PRO A 79 -0.267 6.652 10.074 1.00 2.79 H new ATOM 0 HD2 PRO A 79 -0.744 7.552 7.564 1.00 2.44 H new ATOM 0 HD3 PRO A 79 0.342 6.199 7.814 1.00 2.44 H new ATOM 1247 N GLY A 80 -4.431 5.552 7.868 1.00 0.87 N ATOM 1248 CA GLY A 80 -5.890 5.505 7.709 1.00 1.22 C ATOM 1249 C GLY A 80 -6.435 5.911 6.333 1.00 1.60 C ATOM 1250 O GLY A 80 -7.651 5.991 6.206 1.00 2.83 O ATOM 0 H GLY A 80 -4.041 6.483 7.723 1.00 0.87 H new ATOM 0 HA2 GLY A 80 -6.226 4.491 7.925 1.00 1.22 H new ATOM 0 HA3 GLY A 80 -6.338 6.155 8.460 1.00 1.22 H new ATOM 1254 N GLY A 81 -5.601 6.206 5.320 1.00 0.90 N ATOM 1255 CA GLY A 81 -6.068 6.674 4.005 1.00 1.15 C ATOM 1256 C GLY A 81 -5.600 5.789 2.858 1.00 1.14 C ATOM 1257 O GLY A 81 -6.195 4.752 2.584 1.00 1.85 O ATOM 0 H GLY A 81 -4.587 6.127 5.391 1.00 0.90 H new ATOM 0 HA2 GLY A 81 -7.157 6.713 4.005 1.00 1.15 H new ATOM 0 HA3 GLY A 81 -5.713 7.691 3.840 1.00 1.15 H new ATOM 1261 N TYR A 82 -4.532 6.176 2.161 1.00 0.84 N ATOM 1262 CA TYR A 82 -4.067 5.418 0.993 1.00 0.74 C ATOM 1263 C TYR A 82 -3.429 4.096 1.409 1.00 0.68 C ATOM 1264 O TYR A 82 -2.747 4.011 2.426 1.00 0.79 O ATOM 1265 CB TYR A 82 -3.064 6.218 0.165 1.00 0.83 C ATOM 1266 CG TYR A 82 -3.681 7.376 -0.582 1.00 0.88 C ATOM 1267 CD1 TYR A 82 -3.831 8.632 0.038 1.00 2.10 C ATOM 1268 CD2 TYR A 82 -4.135 7.183 -1.898 1.00 2.07 C ATOM 1269 CE1 TYR A 82 -4.450 9.689 -0.655 1.00 2.08 C ATOM 1270 CE2 TYR A 82 -4.721 8.245 -2.603 1.00 2.18 C ATOM 1271 CZ TYR A 82 -4.900 9.500 -1.982 1.00 1.07 C ATOM 1272 OH TYR A 82 -5.519 10.515 -2.641 1.00 1.21 O ATOM 0 H TYR A 82 -3.975 7.002 2.380 1.00 0.84 H new ATOM 0 HA TYR A 82 -4.947 5.216 0.382 1.00 0.74 H new ATOM 0 HB2 TYR A 82 -2.283 6.597 0.824 1.00 0.83 H new ATOM 0 HB3 TYR A 82 -2.582 5.551 -0.550 1.00 0.83 H new ATOM 0 HD1 TYR A 82 -3.471 8.784 1.045 1.00 2.10 H new ATOM 0 HD2 TYR A 82 -4.033 6.216 -2.367 1.00 2.07 H new ATOM 0 HE1 TYR A 82 -4.582 10.646 -0.172 1.00 2.08 H new ATOM 0 HE2 TYR A 82 -5.037 8.102 -3.626 1.00 2.18 H new ATOM 0 HH TYR A 82 -5.764 10.219 -3.543 1.00 1.21 H new ATOM 1282 N HIS A 83 -3.697 3.057 0.627 1.00 0.57 N ATOM 1283 CA HIS A 83 -3.285 1.681 0.903 1.00 0.56 C ATOM 1284 C HIS A 83 -3.341 0.822 -0.369 1.00 0.48 C ATOM 1285 O HIS A 83 -4.163 1.076 -1.254 1.00 0.50 O ATOM 1286 CB HIS A 83 -4.149 1.113 2.039 1.00 0.63 C ATOM 1287 CG HIS A 83 -5.615 1.018 1.705 1.00 0.59 C ATOM 1288 ND1 HIS A 83 -6.551 2.025 1.808 1.00 0.62 N ATOM 1289 CD2 HIS A 83 -6.235 -0.054 1.130 1.00 0.56 C ATOM 1290 CE1 HIS A 83 -7.699 1.584 1.271 1.00 0.59 C ATOM 1291 NE2 HIS A 83 -7.558 0.307 0.884 1.00 0.58 N ATOM 0 H HIS A 83 -4.222 3.149 -0.243 1.00 0.57 H new ATOM 0 HA HIS A 83 -2.245 1.667 1.230 1.00 0.56 H new ATOM 0 HB2 HIS A 83 -3.781 0.121 2.300 1.00 0.63 H new ATOM 0 HB3 HIS A 83 -4.028 1.740 2.922 1.00 0.63 H new ATOM 0 HD1 HIS A 83 -6.398 2.945 2.221 1.00 0.62 H new ATOM 0 HD2 HIS A 83 -5.782 -1.009 0.906 1.00 0.56 H new ATOM 0 HE1 HIS A 83 -8.601 2.169 1.166 1.00 0.59 H new ATOM 1299 N PHE A 84 -2.537 -0.239 -0.447 1.00 0.44 N ATOM 1300 CA PHE A 84 -2.727 -1.272 -1.471 1.00 0.43 C ATOM 1301 C PHE A 84 -3.704 -2.330 -0.948 1.00 0.40 C ATOM 1302 O PHE A 84 -3.485 -2.873 0.128 1.00 0.52 O ATOM 1303 CB PHE A 84 -1.402 -1.962 -1.806 1.00 0.49 C ATOM 1304 CG PHE A 84 -0.481 -1.137 -2.667 1.00 0.52 C ATOM 1305 CD1 PHE A 84 -0.687 -1.069 -4.055 1.00 1.63 C ATOM 1306 CD2 PHE A 84 0.588 -0.447 -2.079 1.00 1.75 C ATOM 1307 CE1 PHE A 84 0.197 -0.331 -4.857 1.00 1.65 C ATOM 1308 CE2 PHE A 84 1.477 0.291 -2.876 1.00 1.76 C ATOM 1309 CZ PHE A 84 1.280 0.347 -4.266 1.00 0.62 C ATOM 0 H PHE A 84 -1.752 -0.407 0.182 1.00 0.44 H new ATOM 0 HA PHE A 84 -3.118 -0.794 -2.369 1.00 0.43 H new ATOM 0 HB2 PHE A 84 -0.889 -2.210 -0.877 1.00 0.49 H new ATOM 0 HB3 PHE A 84 -1.613 -2.903 -2.315 1.00 0.49 H new ATOM 0 HD1 PHE A 84 -1.524 -1.584 -4.504 1.00 1.63 H new ATOM 0 HD2 PHE A 84 0.728 -0.483 -1.009 1.00 1.75 H new ATOM 0 HE1 PHE A 84 0.047 -0.283 -5.925 1.00 1.65 H new ATOM 0 HE2 PHE A 84 2.307 0.813 -2.424 1.00 1.76 H new ATOM 0 HZ PHE A 84 1.962 0.912 -4.884 1.00 0.62 H new ATOM 1319 N MET A 85 -4.733 -2.683 -1.712 1.00 0.36 N ATOM 1320 CA MET A 85 -5.584 -3.866 -1.517 1.00 0.38 C ATOM 1321 C MET A 85 -4.903 -5.089 -2.133 1.00 0.45 C ATOM 1322 O MET A 85 -4.651 -5.087 -3.334 1.00 0.50 O ATOM 1323 CB MET A 85 -6.955 -3.629 -2.152 1.00 0.48 C ATOM 1324 CG MET A 85 -8.058 -4.242 -1.280 1.00 0.59 C ATOM 1325 SD MET A 85 -8.401 -3.279 0.223 1.00 0.69 S ATOM 1326 CE MET A 85 -9.333 -4.518 1.174 1.00 0.75 C ATOM 0 H MET A 85 -5.014 -2.131 -2.522 1.00 0.36 H new ATOM 0 HA MET A 85 -5.727 -4.045 -0.451 1.00 0.38 H new ATOM 0 HB2 MET A 85 -7.128 -2.559 -2.271 1.00 0.48 H new ATOM 0 HB3 MET A 85 -6.983 -4.069 -3.149 1.00 0.48 H new ATOM 0 HG2 MET A 85 -8.973 -4.325 -1.867 1.00 0.59 H new ATOM 0 HG3 MET A 85 -7.768 -5.254 -0.997 1.00 0.59 H new ATOM 0 HE1 MET A 85 -9.626 -4.094 2.134 1.00 0.75 H new ATOM 0 HE2 MET A 85 -10.224 -4.808 0.618 1.00 0.75 H new ATOM 0 HE3 MET A 85 -8.707 -5.395 1.340 1.00 0.75 H new ATOM 1336 N LEU A 86 -4.603 -6.112 -1.330 1.00 0.55 N ATOM 1337 CA LEU A 86 -3.932 -7.349 -1.761 1.00 0.64 C ATOM 1338 C LEU A 86 -4.972 -8.466 -1.904 1.00 0.71 C ATOM 1339 O LEU A 86 -5.528 -8.913 -0.898 1.00 0.80 O ATOM 1340 CB LEU A 86 -2.871 -7.764 -0.725 1.00 0.67 C ATOM 1341 CG LEU A 86 -1.513 -7.038 -0.780 1.00 0.73 C ATOM 1342 CD1 LEU A 86 -1.600 -5.539 -0.465 1.00 1.07 C ATOM 1343 CD2 LEU A 86 -0.569 -7.696 0.236 1.00 1.27 C ATOM 0 H LEU A 86 -4.824 -6.107 -0.334 1.00 0.55 H new ATOM 0 HA LEU A 86 -3.443 -7.176 -2.719 1.00 0.64 H new ATOM 0 HB2 LEU A 86 -3.293 -7.616 0.269 1.00 0.67 H new ATOM 0 HB3 LEU A 86 -2.688 -8.833 -0.838 1.00 0.67 H new ATOM 0 HG LEU A 86 -1.147 -7.126 -1.803 1.00 0.73 H new ATOM 0 HD11 LEU A 86 -0.605 -5.097 -0.523 1.00 1.07 H new ATOM 0 HD12 LEU A 86 -2.256 -5.053 -1.187 1.00 1.07 H new ATOM 0 HD13 LEU A 86 -2.000 -5.401 0.539 1.00 1.07 H new ATOM 0 HD21 LEU A 86 0.399 -7.195 0.211 1.00 1.27 H new ATOM 0 HD22 LEU A 86 -0.995 -7.613 1.236 1.00 1.27 H new ATOM 0 HD23 LEU A 86 -0.439 -8.748 -0.017 1.00 1.27 H new ATOM 1355 N LEU A 87 -5.238 -8.895 -3.140 1.00 0.78 N ATOM 1356 CA LEU A 87 -6.361 -9.765 -3.507 1.00 0.82 C ATOM 1357 C LEU A 87 -5.885 -11.202 -3.765 1.00 0.80 C ATOM 1358 O LEU A 87 -4.837 -11.435 -4.367 1.00 0.89 O ATOM 1359 CB LEU A 87 -7.060 -9.186 -4.760 1.00 1.08 C ATOM 1360 CG LEU A 87 -8.054 -8.012 -4.580 1.00 1.22 C ATOM 1361 CD1 LEU A 87 -9.359 -8.439 -3.904 1.00 1.55 C ATOM 1362 CD2 LEU A 87 -7.503 -6.824 -3.791 1.00 2.63 C ATOM 0 H LEU A 87 -4.659 -8.639 -3.940 1.00 0.78 H new ATOM 0 HA LEU A 87 -7.070 -9.801 -2.680 1.00 0.82 H new ATOM 0 HB2 LEU A 87 -6.283 -8.858 -5.451 1.00 1.08 H new ATOM 0 HB3 LEU A 87 -7.596 -10.001 -5.246 1.00 1.08 H new ATOM 0 HG LEU A 87 -8.236 -7.695 -5.607 1.00 1.22 H new ATOM 0 HD11 LEU A 87 -10.017 -7.575 -3.804 1.00 1.55 H new ATOM 0 HD12 LEU A 87 -9.850 -9.201 -4.509 1.00 1.55 H new ATOM 0 HD13 LEU A 87 -9.141 -8.845 -2.916 1.00 1.55 H new ATOM 0 HD21 LEU A 87 -8.268 -6.051 -3.716 1.00 2.63 H new ATOM 0 HD22 LEU A 87 -7.218 -7.152 -2.791 1.00 2.63 H new ATOM 0 HD23 LEU A 87 -6.629 -6.421 -4.303 1.00 2.63 H new ATOM 1374 N GLY A 88 -6.661 -12.191 -3.313 1.00 0.78 N ATOM 1375 CA GLY A 88 -6.394 -13.614 -3.586 1.00 0.86 C ATOM 1376 C GLY A 88 -5.181 -14.147 -2.823 1.00 1.03 C ATOM 1377 O GLY A 88 -4.300 -14.770 -3.417 1.00 1.85 O ATOM 0 H GLY A 88 -7.494 -12.032 -2.746 1.00 0.78 H new ATOM 0 HA2 GLY A 88 -7.272 -14.201 -3.319 1.00 0.86 H new ATOM 0 HA3 GLY A 88 -6.233 -13.750 -4.655 1.00 0.86 H new ATOM 1381 N LEU A 89 -5.101 -13.824 -1.528 1.00 0.65 N ATOM 1382 CA LEU A 89 -4.003 -14.189 -0.640 1.00 0.69 C ATOM 1383 C LEU A 89 -3.578 -15.650 -0.698 1.00 0.79 C ATOM 1384 O LEU A 89 -4.339 -16.567 -0.993 1.00 0.95 O ATOM 1385 CB LEU A 89 -4.253 -13.828 0.833 1.00 0.77 C ATOM 1386 CG LEU A 89 -4.760 -12.415 1.148 1.00 0.83 C ATOM 1387 CD1 LEU A 89 -4.901 -12.300 2.668 1.00 0.89 C ATOM 1388 CD2 LEU A 89 -3.826 -11.320 0.615 1.00 0.87 C ATOM 0 H LEU A 89 -5.826 -13.283 -1.057 1.00 0.65 H new ATOM 0 HA LEU A 89 -3.189 -13.583 -1.038 1.00 0.69 H new ATOM 0 HB2 LEU A 89 -4.975 -14.540 1.234 1.00 0.77 H new ATOM 0 HB3 LEU A 89 -3.321 -13.978 1.377 1.00 0.77 H new ATOM 0 HG LEU A 89 -5.718 -12.265 0.650 1.00 0.83 H new ATOM 0 HD11 LEU A 89 -5.261 -11.304 2.926 1.00 0.89 H new ATOM 0 HD12 LEU A 89 -5.611 -13.046 3.025 1.00 0.89 H new ATOM 0 HD13 LEU A 89 -3.932 -12.468 3.137 1.00 0.89 H new ATOM 0 HD21 LEU A 89 -4.233 -10.341 0.866 1.00 0.87 H new ATOM 0 HD22 LEU A 89 -2.841 -11.430 1.068 1.00 0.87 H new ATOM 0 HD23 LEU A 89 -3.740 -11.411 -0.468 1.00 0.87 H new ATOM 1400 N LYS A 90 -2.321 -15.836 -0.321 1.00 0.82 N ATOM 1401 CA LYS A 90 -1.652 -17.138 -0.306 1.00 0.94 C ATOM 1402 C LYS A 90 -1.248 -17.577 1.111 1.00 1.11 C ATOM 1403 O LYS A 90 -1.197 -18.763 1.420 1.00 1.29 O ATOM 1404 CB LYS A 90 -0.436 -17.072 -1.223 1.00 0.89 C ATOM 1405 CG LYS A 90 -0.624 -16.364 -2.583 1.00 0.92 C ATOM 1406 CD LYS A 90 -1.648 -17.017 -3.506 1.00 1.11 C ATOM 1407 CE LYS A 90 -1.829 -16.281 -4.847 1.00 1.18 C ATOM 1408 NZ LYS A 90 -0.553 -15.893 -5.504 1.00 2.90 N ATOM 0 H LYS A 90 -1.721 -15.072 -0.010 1.00 0.82 H new ATOM 0 HA LYS A 90 -2.354 -17.890 -0.666 1.00 0.94 H new ATOM 0 HB2 LYS A 90 0.367 -16.567 -0.686 1.00 0.89 H new ATOM 0 HB3 LYS A 90 -0.100 -18.091 -1.415 1.00 0.89 H new ATOM 0 HG2 LYS A 90 -0.925 -15.332 -2.401 1.00 0.92 H new ATOM 0 HG3 LYS A 90 0.337 -16.330 -3.096 1.00 0.92 H new ATOM 0 HD2 LYS A 90 -1.343 -18.045 -3.704 1.00 1.11 H new ATOM 0 HD3 LYS A 90 -2.609 -17.063 -2.994 1.00 1.11 H new ATOM 0 HE2 LYS A 90 -2.395 -16.919 -5.526 1.00 1.18 H new ATOM 0 HE3 LYS A 90 -2.426 -15.385 -4.679 1.00 1.18 H new ATOM 0 HZ1 LYS A 90 -0.682 -15.886 -6.536 1.00 2.90 H new ATOM 0 HZ2 LYS A 90 -0.272 -14.944 -5.184 1.00 2.90 H new ATOM 0 HZ3 LYS A 90 0.189 -16.577 -5.252 1.00 2.90 H new ATOM 1422 N ARG A 91 -0.973 -16.587 1.963 1.00 1.14 N ATOM 1423 CA ARG A 91 -0.897 -16.658 3.415 1.00 1.36 C ATOM 1424 C ARG A 91 -2.155 -16.010 4.029 1.00 1.16 C ATOM 1425 O ARG A 91 -2.443 -14.872 3.660 1.00 1.13 O ATOM 1426 CB ARG A 91 0.298 -15.807 3.866 1.00 1.72 C ATOM 1427 CG ARG A 91 1.661 -16.491 3.903 1.00 1.85 C ATOM 1428 CD ARG A 91 1.750 -17.416 5.120 1.00 2.58 C ATOM 1429 NE ARG A 91 3.111 -17.418 5.674 1.00 3.16 N ATOM 1430 CZ ARG A 91 4.157 -18.111 5.257 1.00 3.71 C ATOM 1431 NH1 ARG A 91 4.064 -19.039 4.326 1.00 3.99 N ATOM 1432 NH2 ARG A 91 5.330 -17.847 5.783 1.00 4.59 N ATOM 0 H ARG A 91 -0.784 -15.644 1.624 1.00 1.14 H new ATOM 0 HA ARG A 91 -0.806 -17.699 3.726 1.00 1.36 H new ATOM 0 HB2 ARG A 91 0.370 -14.945 3.203 1.00 1.72 H new ATOM 0 HB3 ARG A 91 0.084 -15.424 4.864 1.00 1.72 H new ATOM 0 HG2 ARG A 91 1.814 -17.064 2.988 1.00 1.85 H new ATOM 0 HG3 ARG A 91 2.452 -15.742 3.946 1.00 1.85 H new ATOM 0 HD2 ARG A 91 1.042 -17.091 5.883 1.00 2.58 H new ATOM 0 HD3 ARG A 91 1.467 -18.429 4.834 1.00 2.58 H new ATOM 0 HE ARG A 91 3.268 -16.811 6.478 1.00 3.16 H new ATOM 0 HH11 ARG A 91 3.161 -19.245 3.899 1.00 3.99 H new ATOM 0 HH12 ARG A 91 4.895 -19.552 4.032 1.00 3.99 H new ATOM 0 HH21 ARG A 91 5.418 -17.122 6.495 1.00 4.59 H new ATOM 0 HH22 ARG A 91 6.154 -18.367 5.480 1.00 4.59 H new ATOM 1446 N PRO A 92 -2.801 -16.632 5.034 1.00 1.21 N ATOM 1447 CA PRO A 92 -3.483 -15.897 6.091 1.00 1.30 C ATOM 1448 C PRO A 92 -2.388 -15.327 7.005 1.00 1.30 C ATOM 1449 O PRO A 92 -2.071 -15.892 8.052 1.00 1.90 O ATOM 1450 CB PRO A 92 -4.383 -16.936 6.763 1.00 1.41 C ATOM 1451 CG PRO A 92 -3.592 -18.241 6.625 1.00 1.39 C ATOM 1452 CD PRO A 92 -2.785 -18.058 5.336 1.00 1.27 C ATOM 0 HA PRO A 92 -4.097 -15.055 5.771 1.00 1.30 H new ATOM 0 HB2 PRO A 92 -4.570 -16.689 7.808 1.00 1.41 H new ATOM 0 HB3 PRO A 92 -5.354 -17.002 6.273 1.00 1.41 H new ATOM 0 HG2 PRO A 92 -2.940 -18.404 7.483 1.00 1.39 H new ATOM 0 HG3 PRO A 92 -4.255 -19.104 6.560 1.00 1.39 H new ATOM 0 HD2 PRO A 92 -1.763 -18.415 5.464 1.00 1.27 H new ATOM 0 HD3 PRO A 92 -3.223 -18.632 4.520 1.00 1.27 H new ATOM 1460 N LEU A 93 -1.715 -14.277 6.522 1.00 1.34 N ATOM 1461 CA LEU A 93 -0.390 -13.870 7.006 1.00 1.55 C ATOM 1462 C LEU A 93 -0.404 -13.440 8.468 1.00 1.80 C ATOM 1463 O LEU A 93 -1.228 -12.635 8.901 1.00 2.29 O ATOM 1464 CB LEU A 93 0.288 -12.859 6.056 1.00 2.14 C ATOM 1465 CG LEU A 93 -0.346 -11.466 5.848 1.00 1.67 C ATOM 1466 CD1 LEU A 93 0.582 -10.683 4.905 1.00 2.43 C ATOM 1467 CD2 LEU A 93 -1.742 -11.509 5.202 1.00 1.62 C ATOM 0 H LEU A 93 -2.077 -13.680 5.778 1.00 1.34 H new ATOM 0 HA LEU A 93 0.245 -14.756 6.987 1.00 1.55 H new ATOM 0 HB2 LEU A 93 1.305 -12.704 6.416 1.00 2.14 H new ATOM 0 HB3 LEU A 93 0.365 -13.332 5.077 1.00 2.14 H new ATOM 0 HG LEU A 93 -0.463 -11.007 6.830 1.00 1.67 H new ATOM 0 HD11 LEU A 93 0.169 -9.689 4.731 1.00 2.43 H new ATOM 0 HD12 LEU A 93 1.569 -10.592 5.359 1.00 2.43 H new ATOM 0 HD13 LEU A 93 0.667 -11.212 3.956 1.00 2.43 H new ATOM 0 HD21 LEU A 93 -2.122 -10.494 5.088 1.00 1.62 H new ATOM 0 HD22 LEU A 93 -1.675 -11.983 4.223 1.00 1.62 H new ATOM 0 HD23 LEU A 93 -2.419 -12.081 5.837 1.00 1.62 H new ATOM 1479 N LYS A 94 0.481 -14.037 9.265 1.00 1.73 N ATOM 1480 CA LYS A 94 0.441 -13.879 10.710 1.00 1.85 C ATOM 1481 C LYS A 94 1.169 -12.626 11.171 1.00 1.72 C ATOM 1482 O LYS A 94 2.280 -12.314 10.757 1.00 2.33 O ATOM 1483 CB LYS A 94 0.978 -15.133 11.413 1.00 2.28 C ATOM 1484 CG LYS A 94 0.001 -16.307 11.299 1.00 1.66 C ATOM 1485 CD LYS A 94 -1.290 -16.194 12.121 1.00 2.14 C ATOM 1486 CE LYS A 94 -0.993 -16.141 13.628 1.00 3.85 C ATOM 1487 NZ LYS A 94 -2.232 -16.200 14.441 1.00 5.93 N ATOM 0 H LYS A 94 1.235 -14.636 8.929 1.00 1.73 H new ATOM 0 HA LYS A 94 -0.604 -13.755 10.994 1.00 1.85 H new ATOM 0 HB2 LYS A 94 1.936 -15.413 10.976 1.00 2.28 H new ATOM 0 HB3 LYS A 94 1.160 -14.911 12.465 1.00 2.28 H new ATOM 0 HG2 LYS A 94 -0.270 -16.427 10.250 1.00 1.66 H new ATOM 0 HG3 LYS A 94 0.521 -17.216 11.600 1.00 1.66 H new ATOM 0 HD2 LYS A 94 -1.835 -15.298 11.824 1.00 2.14 H new ATOM 0 HD3 LYS A 94 -1.936 -17.045 11.906 1.00 2.14 H new ATOM 0 HE2 LYS A 94 -0.342 -16.972 13.899 1.00 3.85 H new ATOM 0 HE3 LYS A 94 -0.451 -15.224 13.859 1.00 3.85 H new ATOM 0 HZ1 LYS A 94 -1.987 -16.162 15.451 1.00 5.93 H new ATOM 0 HZ2 LYS A 94 -2.843 -15.393 14.202 1.00 5.93 H new ATOM 0 HZ3 LYS A 94 -2.737 -17.087 14.241 1.00 5.93 H new ATOM 1501 N ALA A 95 0.542 -11.963 12.138 1.00 1.29 N ATOM 1502 CA ALA A 95 1.158 -10.894 12.911 1.00 1.11 C ATOM 1503 C ALA A 95 2.422 -11.455 13.584 1.00 1.10 C ATOM 1504 O ALA A 95 2.340 -12.442 14.320 1.00 1.25 O ATOM 1505 CB ALA A 95 0.131 -10.341 13.905 1.00 1.18 C ATOM 0 H ALA A 95 -0.422 -12.157 12.409 1.00 1.29 H new ATOM 0 HA ALA A 95 1.465 -10.058 12.282 1.00 1.11 H new ATOM 0 HB1 ALA A 95 0.584 -9.540 14.488 1.00 1.18 H new ATOM 0 HB2 ALA A 95 -0.729 -9.952 13.361 1.00 1.18 H new ATOM 0 HB3 ALA A 95 -0.193 -11.138 14.574 1.00 1.18 H new ATOM 1511 N GLY A 96 3.571 -10.871 13.241 1.00 1.11 N ATOM 1512 CA GLY A 96 4.910 -11.370 13.588 1.00 1.21 C ATOM 1513 C GLY A 96 5.709 -11.987 12.429 1.00 1.41 C ATOM 1514 O GLY A 96 6.902 -12.209 12.611 1.00 1.95 O ATOM 0 H GLY A 96 3.600 -10.009 12.696 1.00 1.11 H new ATOM 0 HA2 GLY A 96 5.488 -10.546 14.006 1.00 1.21 H new ATOM 0 HA3 GLY A 96 4.807 -12.118 14.374 1.00 1.21 H new ATOM 1518 N GLU A 97 5.113 -12.227 11.255 1.00 1.23 N ATOM 1519 CA GLU A 97 5.869 -12.425 10.011 1.00 1.35 C ATOM 1520 C GLU A 97 6.336 -11.075 9.439 1.00 1.18 C ATOM 1521 O GLU A 97 5.895 -10.002 9.860 1.00 0.96 O ATOM 1522 CB GLU A 97 5.037 -13.146 8.931 1.00 1.46 C ATOM 1523 CG GLU A 97 4.459 -14.503 9.367 1.00 1.78 C ATOM 1524 CD GLU A 97 3.894 -15.301 8.188 1.00 1.78 C ATOM 1525 OE1 GLU A 97 4.702 -15.769 7.359 1.00 3.02 O ATOM 1526 OE2 GLU A 97 2.661 -15.510 8.096 1.00 1.87 O ATOM 0 H GLU A 97 4.101 -12.289 11.140 1.00 1.23 H new ATOM 0 HA GLU A 97 6.726 -13.047 10.268 1.00 1.35 H new ATOM 0 HB2 GLU A 97 4.215 -12.496 8.630 1.00 1.46 H new ATOM 0 HB3 GLU A 97 5.662 -13.298 8.051 1.00 1.46 H new ATOM 0 HG2 GLU A 97 5.238 -15.086 9.857 1.00 1.78 H new ATOM 0 HG3 GLU A 97 3.672 -14.340 10.103 1.00 1.78 H new ATOM 1533 N GLU A 98 7.147 -11.146 8.390 1.00 1.37 N ATOM 1534 CA GLU A 98 7.416 -10.086 7.447 1.00 1.20 C ATOM 1535 C GLU A 98 7.435 -10.741 6.072 1.00 1.29 C ATOM 1536 O GLU A 98 7.837 -11.894 5.934 1.00 1.80 O ATOM 1537 CB GLU A 98 8.705 -9.293 7.737 1.00 1.75 C ATOM 1538 CG GLU A 98 10.030 -10.065 7.624 1.00 2.05 C ATOM 1539 CD GLU A 98 11.252 -9.141 7.556 1.00 2.75 C ATOM 1540 OE1 GLU A 98 11.114 -7.908 7.379 1.00 3.64 O ATOM 1541 OE2 GLU A 98 12.400 -9.643 7.568 1.00 3.38 O ATOM 0 H GLU A 98 7.661 -11.999 8.169 1.00 1.37 H new ATOM 0 HA GLU A 98 6.639 -9.325 7.519 1.00 1.20 H new ATOM 0 HB2 GLU A 98 8.745 -8.446 7.052 1.00 1.75 H new ATOM 0 HB3 GLU A 98 8.634 -8.885 8.745 1.00 1.75 H new ATOM 0 HG2 GLU A 98 10.131 -10.731 8.481 1.00 2.05 H new ATOM 0 HG3 GLU A 98 10.005 -10.693 6.733 1.00 2.05 H new ATOM 1548 N VAL A 99 6.939 -10.011 5.088 1.00 0.90 N ATOM 1549 CA VAL A 99 6.700 -10.496 3.721 1.00 0.98 C ATOM 1550 C VAL A 99 6.976 -9.368 2.726 1.00 0.63 C ATOM 1551 O VAL A 99 6.817 -8.188 3.056 1.00 0.59 O ATOM 1552 CB VAL A 99 5.260 -11.042 3.536 1.00 1.31 C ATOM 1553 CG1 VAL A 99 5.160 -11.846 2.229 1.00 2.04 C ATOM 1554 CG2 VAL A 99 4.759 -11.944 4.686 1.00 1.56 C ATOM 0 H VAL A 99 6.680 -9.032 5.213 1.00 0.90 H new ATOM 0 HA VAL A 99 7.380 -11.327 3.535 1.00 0.98 H new ATOM 0 HB VAL A 99 4.626 -10.155 3.520 1.00 1.31 H new ATOM 0 HG11 VAL A 99 4.144 -12.224 2.111 1.00 2.04 H new ATOM 0 HG12 VAL A 99 5.408 -11.202 1.386 1.00 2.04 H new ATOM 0 HG13 VAL A 99 5.857 -12.683 2.263 1.00 2.04 H new ATOM 0 HG21 VAL A 99 3.744 -12.279 4.470 1.00 1.56 H new ATOM 0 HG22 VAL A 99 5.414 -12.810 4.781 1.00 1.56 H new ATOM 0 HG23 VAL A 99 4.765 -11.381 5.619 1.00 1.56 H new ATOM 1564 N GLU A 100 7.435 -9.712 1.524 1.00 0.74 N ATOM 1565 CA GLU A 100 7.933 -8.721 0.570 1.00 0.69 C ATOM 1566 C GLU A 100 6.899 -8.257 -0.468 1.00 0.62 C ATOM 1567 O GLU A 100 6.004 -8.987 -0.911 1.00 0.68 O ATOM 1568 CB GLU A 100 9.258 -9.137 -0.095 1.00 1.08 C ATOM 1569 CG GLU A 100 9.857 -10.508 0.226 1.00 1.68 C ATOM 1570 CD GLU A 100 9.048 -11.582 -0.475 1.00 1.77 C ATOM 1571 OE1 GLU A 100 9.298 -11.759 -1.690 1.00 2.13 O ATOM 1572 OE2 GLU A 100 8.146 -12.128 0.193 1.00 3.33 O ATOM 0 H GLU A 100 7.473 -10.674 1.186 1.00 0.74 H new ATOM 0 HA GLU A 100 8.140 -7.846 1.187 1.00 0.69 H new ATOM 0 HB2 GLU A 100 9.113 -9.087 -1.174 1.00 1.08 H new ATOM 0 HB3 GLU A 100 10.004 -8.385 0.162 1.00 1.08 H new ATOM 0 HG2 GLU A 100 10.897 -10.549 -0.099 1.00 1.68 H new ATOM 0 HG3 GLU A 100 9.852 -10.677 1.303 1.00 1.68 H new ATOM 1579 N LEU A 101 7.078 -6.995 -0.880 1.00 0.62 N ATOM 1580 CA LEU A 101 6.375 -6.356 -1.990 1.00 0.58 C ATOM 1581 C LEU A 101 7.384 -5.885 -3.054 1.00 0.55 C ATOM 1582 O LEU A 101 8.526 -5.546 -2.742 1.00 0.68 O ATOM 1583 CB LEU A 101 5.515 -5.170 -1.492 1.00 0.66 C ATOM 1584 CG LEU A 101 4.060 -5.489 -1.088 1.00 0.80 C ATOM 1585 CD1 LEU A 101 3.946 -6.322 0.195 1.00 1.68 C ATOM 1586 CD2 LEU A 101 3.286 -4.176 -0.897 1.00 1.68 C ATOM 0 H LEU A 101 7.745 -6.370 -0.428 1.00 0.62 H new ATOM 0 HA LEU A 101 5.705 -7.088 -2.441 1.00 0.58 H new ATOM 0 HB2 LEU A 101 6.016 -4.724 -0.633 1.00 0.66 H new ATOM 0 HB3 LEU A 101 5.492 -4.414 -2.276 1.00 0.66 H new ATOM 0 HG LEU A 101 3.639 -6.088 -1.896 1.00 0.80 H new ATOM 0 HD11 LEU A 101 2.895 -6.507 0.417 1.00 1.68 H new ATOM 0 HD12 LEU A 101 4.461 -7.273 0.058 1.00 1.68 H new ATOM 0 HD13 LEU A 101 4.401 -5.779 1.023 1.00 1.68 H new ATOM 0 HD21 LEU A 101 2.258 -4.398 -0.612 1.00 1.68 H new ATOM 0 HD22 LEU A 101 3.760 -3.585 -0.114 1.00 1.68 H new ATOM 0 HD23 LEU A 101 3.290 -3.612 -1.830 1.00 1.68 H new ATOM 1598 N ASP A 102 6.917 -5.839 -4.303 1.00 0.55 N ATOM 1599 CA ASP A 102 7.597 -5.330 -5.498 1.00 0.59 C ATOM 1600 C ASP A 102 6.806 -4.138 -6.071 1.00 0.71 C ATOM 1601 O ASP A 102 5.751 -4.302 -6.681 1.00 1.25 O ATOM 1602 CB ASP A 102 7.717 -6.465 -6.533 1.00 0.88 C ATOM 1603 CG ASP A 102 8.998 -7.295 -6.432 1.00 1.40 C ATOM 1604 OD1 ASP A 102 10.061 -6.779 -6.019 1.00 2.86 O ATOM 1605 OD2 ASP A 102 8.914 -8.511 -6.718 1.00 1.83 O ATOM 0 H ASP A 102 5.982 -6.183 -4.523 1.00 0.55 H new ATOM 0 HA ASP A 102 8.599 -4.984 -5.243 1.00 0.59 H new ATOM 0 HB2 ASP A 102 6.861 -7.130 -6.422 1.00 0.88 H new ATOM 0 HB3 ASP A 102 7.659 -6.034 -7.532 1.00 0.88 H new ATOM 1610 N LEU A 103 7.290 -2.917 -5.846 1.00 0.46 N ATOM 1611 CA LEU A 103 6.598 -1.672 -6.182 1.00 0.42 C ATOM 1612 C LEU A 103 6.830 -1.301 -7.644 1.00 0.41 C ATOM 1613 O LEU A 103 7.963 -1.355 -8.110 1.00 0.47 O ATOM 1614 CB LEU A 103 7.108 -0.557 -5.256 1.00 0.51 C ATOM 1615 CG LEU A 103 6.416 -0.534 -3.885 1.00 0.74 C ATOM 1616 CD1 LEU A 103 6.535 -1.850 -3.112 1.00 1.17 C ATOM 1617 CD2 LEU A 103 6.992 0.619 -3.059 1.00 0.97 C ATOM 0 H LEU A 103 8.200 -2.762 -5.413 1.00 0.46 H new ATOM 0 HA LEU A 103 5.525 -1.804 -6.041 1.00 0.42 H new ATOM 0 HB2 LEU A 103 8.181 -0.679 -5.110 1.00 0.51 H new ATOM 0 HB3 LEU A 103 6.960 0.406 -5.745 1.00 0.51 H new ATOM 0 HG LEU A 103 5.350 -0.391 -4.064 1.00 0.74 H new ATOM 0 HD11 LEU A 103 6.022 -1.757 -2.155 1.00 1.17 H new ATOM 0 HD12 LEU A 103 6.080 -2.654 -3.691 1.00 1.17 H new ATOM 0 HD13 LEU A 103 7.587 -2.077 -2.940 1.00 1.17 H new ATOM 0 HD21 LEU A 103 6.508 0.645 -2.083 1.00 0.97 H new ATOM 0 HD22 LEU A 103 8.064 0.473 -2.928 1.00 0.97 H new ATOM 0 HD23 LEU A 103 6.815 1.562 -3.577 1.00 0.97 H new ATOM 1629 N LEU A 104 5.766 -0.904 -8.352 1.00 0.43 N ATOM 1630 CA LEU A 104 5.796 -0.621 -9.784 1.00 0.47 C ATOM 1631 C LEU A 104 5.761 0.893 -10.031 1.00 0.50 C ATOM 1632 O LEU A 104 4.754 1.579 -9.803 1.00 0.50 O ATOM 1633 CB LEU A 104 4.635 -1.364 -10.471 1.00 0.48 C ATOM 1634 CG LEU A 104 4.633 -2.895 -10.260 1.00 0.52 C ATOM 1635 CD1 LEU A 104 3.412 -3.512 -10.959 1.00 0.65 C ATOM 1636 CD2 LEU A 104 5.915 -3.564 -10.783 1.00 0.67 C ATOM 0 H LEU A 104 4.845 -0.769 -7.934 1.00 0.43 H new ATOM 0 HA LEU A 104 6.727 -0.983 -10.220 1.00 0.47 H new ATOM 0 HB2 LEU A 104 3.693 -0.959 -10.101 1.00 0.48 H new ATOM 0 HB3 LEU A 104 4.673 -1.158 -11.541 1.00 0.48 H new ATOM 0 HG LEU A 104 4.587 -3.073 -9.186 1.00 0.52 H new ATOM 0 HD11 LEU A 104 3.414 -4.592 -10.808 1.00 0.65 H new ATOM 0 HD12 LEU A 104 2.500 -3.088 -10.539 1.00 0.65 H new ATOM 0 HD13 LEU A 104 3.455 -3.295 -12.026 1.00 0.65 H new ATOM 0 HD21 LEU A 104 5.861 -4.639 -10.610 1.00 0.67 H new ATOM 0 HD22 LEU A 104 6.015 -3.373 -11.852 1.00 0.67 H new ATOM 0 HD23 LEU A 104 6.779 -3.155 -10.259 1.00 0.67 H new ATOM 1648 N PHE A 105 6.888 1.416 -10.510 1.00 0.59 N ATOM 1649 CA PHE A 105 7.131 2.828 -10.766 1.00 0.64 C ATOM 1650 C PHE A 105 7.059 3.143 -12.265 1.00 0.68 C ATOM 1651 O PHE A 105 7.794 2.569 -13.070 1.00 0.90 O ATOM 1652 CB PHE A 105 8.506 3.191 -10.198 1.00 0.66 C ATOM 1653 CG PHE A 105 8.539 3.132 -8.686 1.00 0.63 C ATOM 1654 CD1 PHE A 105 7.886 4.129 -7.936 1.00 1.96 C ATOM 1655 CD2 PHE A 105 9.167 2.058 -8.027 1.00 1.73 C ATOM 1656 CE1 PHE A 105 7.911 4.076 -6.535 1.00 1.97 C ATOM 1657 CE2 PHE A 105 9.177 2.006 -6.628 1.00 1.73 C ATOM 1658 CZ PHE A 105 8.570 3.023 -5.879 1.00 0.70 C ATOM 0 H PHE A 105 7.694 0.835 -10.740 1.00 0.59 H new ATOM 0 HA PHE A 105 6.359 3.424 -10.280 1.00 0.64 H new ATOM 0 HB2 PHE A 105 9.255 2.509 -10.602 1.00 0.66 H new ATOM 0 HB3 PHE A 105 8.778 4.194 -10.526 1.00 0.66 H new ATOM 0 HD1 PHE A 105 7.367 4.932 -8.438 1.00 1.96 H new ATOM 0 HD2 PHE A 105 9.641 1.275 -8.600 1.00 1.73 H new ATOM 0 HE1 PHE A 105 7.422 4.847 -5.958 1.00 1.97 H new ATOM 0 HE2 PHE A 105 9.654 1.179 -6.124 1.00 1.73 H new ATOM 0 HZ PHE A 105 8.609 2.997 -4.800 1.00 0.70 H new ATOM 1668 N ALA A 106 6.181 4.091 -12.616 1.00 0.63 N ATOM 1669 CA ALA A 106 5.906 4.579 -13.971 1.00 0.73 C ATOM 1670 C ALA A 106 5.725 3.438 -14.995 1.00 1.72 C ATOM 1671 O ALA A 106 6.175 3.532 -16.136 1.00 2.49 O ATOM 1672 CB ALA A 106 6.968 5.626 -14.350 1.00 1.35 C ATOM 0 H ALA A 106 5.609 4.566 -11.918 1.00 0.63 H new ATOM 0 HA ALA A 106 4.937 5.078 -13.990 1.00 0.73 H new ATOM 0 HB1 ALA A 106 6.772 5.995 -15.357 1.00 1.35 H new ATOM 0 HB2 ALA A 106 6.928 6.456 -13.645 1.00 1.35 H new ATOM 0 HB3 ALA A 106 7.957 5.169 -14.317 1.00 1.35 H new ATOM 1678 N GLY A 107 5.116 2.332 -14.548 1.00 2.86 N ATOM 1679 CA GLY A 107 5.034 1.069 -15.276 1.00 4.20 C ATOM 1680 C GLY A 107 6.115 0.098 -14.812 1.00 4.13 C ATOM 1681 O GLY A 107 5.964 -0.557 -13.784 1.00 5.62 O ATOM 0 H GLY A 107 4.653 2.296 -13.640 1.00 2.86 H new ATOM 0 HA2 GLY A 107 4.051 0.622 -15.127 1.00 4.20 H new ATOM 0 HA3 GLY A 107 5.141 1.254 -16.345 1.00 4.20 H new ATOM 1685 N GLY A 108 7.177 -0.036 -15.614 1.00 2.60 N ATOM 1686 CA GLY A 108 8.094 -1.183 -15.566 1.00 2.77 C ATOM 1687 C GLY A 108 9.236 -1.118 -14.550 1.00 2.27 C ATOM 1688 O GLY A 108 9.951 -2.109 -14.407 1.00 2.86 O ATOM 0 H GLY A 108 7.428 0.655 -16.322 1.00 2.60 H new ATOM 0 HA2 GLY A 108 7.507 -2.078 -15.359 1.00 2.77 H new ATOM 0 HA3 GLY A 108 8.529 -1.310 -16.557 1.00 2.77 H new ATOM 1692 N LYS A 109 9.468 -0.005 -13.837 1.00 1.29 N ATOM 1693 CA LYS A 109 10.542 0.018 -12.834 1.00 0.93 C ATOM 1694 C LYS A 109 10.081 -0.626 -11.530 1.00 0.76 C ATOM 1695 O LYS A 109 9.372 -0.007 -10.744 1.00 1.12 O ATOM 1696 CB LYS A 109 11.088 1.430 -12.621 1.00 0.87 C ATOM 1697 CG LYS A 109 12.112 1.741 -13.712 1.00 1.42 C ATOM 1698 CD LYS A 109 12.583 3.198 -13.634 1.00 1.61 C ATOM 1699 CE LYS A 109 13.603 3.480 -14.745 1.00 2.61 C ATOM 1700 NZ LYS A 109 14.179 4.845 -14.636 1.00 3.09 N ATOM 0 H LYS A 109 8.944 0.865 -13.931 1.00 1.29 H new ATOM 0 HA LYS A 109 11.371 -0.578 -13.216 1.00 0.93 H new ATOM 0 HB2 LYS A 109 10.275 2.156 -12.651 1.00 0.87 H new ATOM 0 HB3 LYS A 109 11.551 1.510 -11.637 1.00 0.87 H new ATOM 0 HG2 LYS A 109 12.968 1.074 -13.611 1.00 1.42 H new ATOM 0 HG3 LYS A 109 11.673 1.550 -14.691 1.00 1.42 H new ATOM 0 HD2 LYS A 109 11.731 3.870 -13.732 1.00 1.61 H new ATOM 0 HD3 LYS A 109 13.031 3.392 -12.660 1.00 1.61 H new ATOM 0 HE2 LYS A 109 14.405 2.743 -14.697 1.00 2.61 H new ATOM 0 HE3 LYS A 109 13.122 3.366 -15.717 1.00 2.61 H new ATOM 0 HZ1 LYS A 109 14.863 4.996 -15.405 1.00 3.09 H new ATOM 0 HZ2 LYS A 109 13.418 5.550 -14.707 1.00 3.09 H new ATOM 0 HZ3 LYS A 109 14.660 4.947 -13.720 1.00 3.09 H new ATOM 1714 N VAL A 110 10.522 -1.858 -11.325 1.00 0.88 N ATOM 1715 CA VAL A 110 10.222 -2.651 -10.125 1.00 0.76 C ATOM 1716 C VAL A 110 11.225 -2.389 -8.988 1.00 0.69 C ATOM 1717 O VAL A 110 12.416 -2.236 -9.257 1.00 0.77 O ATOM 1718 CB VAL A 110 10.091 -4.154 -10.460 1.00 0.84 C ATOM 1719 CG1 VAL A 110 11.407 -4.796 -10.932 1.00 1.80 C ATOM 1720 CG2 VAL A 110 9.500 -4.949 -9.288 1.00 2.33 C ATOM 0 H VAL A 110 11.110 -2.351 -11.997 1.00 0.88 H new ATOM 0 HA VAL A 110 9.252 -2.321 -9.754 1.00 0.76 H new ATOM 0 HB VAL A 110 9.399 -4.200 -11.300 1.00 0.84 H new ATOM 0 HG11 VAL A 110 11.240 -5.851 -11.149 1.00 1.80 H new ATOM 0 HG12 VAL A 110 11.756 -4.291 -11.833 1.00 1.80 H new ATOM 0 HG13 VAL A 110 12.159 -4.702 -10.149 1.00 1.80 H new ATOM 0 HG21 VAL A 110 9.424 -6.001 -9.563 1.00 2.33 H new ATOM 0 HG22 VAL A 110 10.147 -4.848 -8.417 1.00 2.33 H new ATOM 0 HG23 VAL A 110 8.508 -4.564 -9.050 1.00 2.33 H new ATOM 1730 N LEU A 111 10.753 -2.360 -7.731 1.00 0.64 N ATOM 1731 CA LEU A 111 11.608 -2.267 -6.537 1.00 0.63 C ATOM 1732 C LEU A 111 11.103 -3.158 -5.393 1.00 0.61 C ATOM 1733 O LEU A 111 9.966 -3.044 -4.942 1.00 0.87 O ATOM 1734 CB LEU A 111 11.708 -0.798 -6.094 1.00 0.77 C ATOM 1735 CG LEU A 111 12.971 -0.392 -5.304 1.00 0.95 C ATOM 1736 CD1 LEU A 111 13.192 -1.140 -3.986 1.00 2.48 C ATOM 1737 CD2 LEU A 111 14.232 -0.466 -6.178 1.00 2.69 C ATOM 0 H LEU A 111 9.757 -2.401 -7.513 1.00 0.64 H new ATOM 0 HA LEU A 111 12.601 -2.634 -6.798 1.00 0.63 H new ATOM 0 HB2 LEU A 111 11.648 -0.170 -6.983 1.00 0.77 H new ATOM 0 HB3 LEU A 111 10.836 -0.568 -5.482 1.00 0.77 H new ATOM 0 HG LEU A 111 12.780 0.643 -5.019 1.00 0.95 H new ATOM 0 HD11 LEU A 111 14.105 -0.780 -3.512 1.00 2.48 H new ATOM 0 HD12 LEU A 111 12.345 -0.966 -3.322 1.00 2.48 H new ATOM 0 HD13 LEU A 111 13.284 -2.208 -4.185 1.00 2.48 H new ATOM 0 HD21 LEU A 111 15.101 -0.173 -5.589 1.00 2.69 H new ATOM 0 HD22 LEU A 111 14.365 -1.486 -6.539 1.00 2.69 H new ATOM 0 HD23 LEU A 111 14.126 0.209 -7.028 1.00 2.69 H new ATOM 1749 N LYS A 112 11.983 -4.023 -4.888 1.00 0.72 N ATOM 1750 CA LYS A 112 11.694 -4.944 -3.790 1.00 0.93 C ATOM 1751 C LYS A 112 11.810 -4.241 -2.415 1.00 0.88 C ATOM 1752 O LYS A 112 12.903 -3.847 -2.006 1.00 1.10 O ATOM 1753 CB LYS A 112 12.660 -6.141 -3.913 1.00 1.58 C ATOM 1754 CG LYS A 112 12.606 -7.143 -2.748 1.00 2.09 C ATOM 1755 CD LYS A 112 11.358 -8.034 -2.657 1.00 2.00 C ATOM 1756 CE LYS A 112 11.441 -9.295 -3.527 1.00 1.63 C ATOM 1757 NZ LYS A 112 10.863 -9.109 -4.876 1.00 2.50 N ATOM 0 H LYS A 112 12.937 -4.104 -5.239 1.00 0.72 H new ATOM 0 HA LYS A 112 10.665 -5.297 -3.855 1.00 0.93 H new ATOM 0 HB2 LYS A 112 12.440 -6.672 -4.839 1.00 1.58 H new ATOM 0 HB3 LYS A 112 13.678 -5.760 -3.998 1.00 1.58 H new ATOM 0 HG2 LYS A 112 13.481 -7.790 -2.816 1.00 2.09 H new ATOM 0 HG3 LYS A 112 12.693 -6.585 -1.816 1.00 2.09 H new ATOM 0 HD2 LYS A 112 11.206 -8.328 -1.618 1.00 2.00 H new ATOM 0 HD3 LYS A 112 10.485 -7.454 -2.955 1.00 2.00 H new ATOM 0 HE2 LYS A 112 12.485 -9.594 -3.624 1.00 1.63 H new ATOM 0 HE3 LYS A 112 10.921 -10.111 -3.025 1.00 1.63 H new ATOM 0 HZ1 LYS A 112 11.410 -9.661 -5.567 1.00 2.50 H new ATOM 0 HZ2 LYS A 112 9.875 -9.434 -4.878 1.00 2.50 H new ATOM 0 HZ3 LYS A 112 10.897 -8.102 -5.132 1.00 2.50 H new ATOM 1771 N VAL A 113 10.704 -4.169 -1.678 1.00 0.81 N ATOM 1772 CA VAL A 113 10.619 -3.737 -0.264 1.00 0.94 C ATOM 1773 C VAL A 113 10.234 -4.917 0.641 1.00 0.83 C ATOM 1774 O VAL A 113 9.793 -5.942 0.123 1.00 0.83 O ATOM 1775 CB VAL A 113 9.616 -2.575 -0.092 1.00 1.12 C ATOM 1776 CG1 VAL A 113 9.942 -1.398 -1.029 1.00 2.69 C ATOM 1777 CG2 VAL A 113 8.166 -3.020 -0.318 1.00 2.49 C ATOM 0 H VAL A 113 9.792 -4.420 -2.059 1.00 0.81 H new ATOM 0 HA VAL A 113 11.604 -3.377 0.033 1.00 0.94 H new ATOM 0 HB VAL A 113 9.717 -2.244 0.942 1.00 1.12 H new ATOM 0 HG11 VAL A 113 9.214 -0.601 -0.878 1.00 2.69 H new ATOM 0 HG12 VAL A 113 10.942 -1.023 -0.808 1.00 2.69 H new ATOM 0 HG13 VAL A 113 9.901 -1.735 -2.065 1.00 2.69 H new ATOM 0 HG21 VAL A 113 7.499 -2.168 -0.186 1.00 2.49 H new ATOM 0 HG22 VAL A 113 8.059 -3.411 -1.330 1.00 2.49 H new ATOM 0 HG23 VAL A 113 7.908 -3.798 0.401 1.00 2.49 H new ATOM 1787 N VAL A 114 10.368 -4.792 1.975 1.00 1.00 N ATOM 1788 CA VAL A 114 10.061 -5.897 2.912 1.00 0.87 C ATOM 1789 C VAL A 114 9.457 -5.350 4.206 1.00 0.78 C ATOM 1790 O VAL A 114 10.118 -4.580 4.908 1.00 0.99 O ATOM 1791 CB VAL A 114 11.299 -6.763 3.269 1.00 1.05 C ATOM 1792 CG1 VAL A 114 10.844 -8.104 3.870 1.00 1.50 C ATOM 1793 CG2 VAL A 114 12.262 -7.048 2.103 1.00 2.23 C ATOM 0 H VAL A 114 10.687 -3.937 2.431 1.00 1.00 H new ATOM 0 HA VAL A 114 9.347 -6.536 2.393 1.00 0.87 H new ATOM 0 HB VAL A 114 11.860 -6.164 3.986 1.00 1.05 H new ATOM 0 HG11 VAL A 114 11.718 -8.707 4.118 1.00 1.50 H new ATOM 0 HG12 VAL A 114 10.262 -7.919 4.773 1.00 1.50 H new ATOM 0 HG13 VAL A 114 10.229 -8.638 3.145 1.00 1.50 H new ATOM 0 HG21 VAL A 114 13.092 -7.659 2.458 1.00 2.23 H new ATOM 0 HG22 VAL A 114 11.731 -7.580 1.314 1.00 2.23 H new ATOM 0 HG23 VAL A 114 12.647 -6.107 1.710 1.00 2.23 H new ATOM 1803 N LEU A 115 8.207 -5.732 4.508 1.00 0.81 N ATOM 1804 CA LEU A 115 7.419 -5.177 5.615 1.00 0.84 C ATOM 1805 C LEU A 115 6.922 -6.271 6.591 1.00 0.76 C ATOM 1806 O LEU A 115 6.484 -7.331 6.125 1.00 0.78 O ATOM 1807 CB LEU A 115 6.174 -4.428 5.091 1.00 1.03 C ATOM 1808 CG LEU A 115 6.328 -3.248 4.106 1.00 1.67 C ATOM 1809 CD1 LEU A 115 7.566 -2.369 4.322 1.00 3.33 C ATOM 1810 CD2 LEU A 115 6.283 -3.739 2.659 1.00 1.70 C ATOM 0 H LEU A 115 7.708 -6.448 3.980 1.00 0.81 H new ATOM 0 HA LEU A 115 8.089 -4.496 6.140 1.00 0.84 H new ATOM 0 HB2 LEU A 115 5.532 -5.167 4.611 1.00 1.03 H new ATOM 0 HB3 LEU A 115 5.634 -4.053 5.960 1.00 1.03 H new ATOM 0 HG LEU A 115 5.475 -2.604 4.318 1.00 1.67 H new ATOM 0 HD11 LEU A 115 7.580 -1.571 3.580 1.00 3.33 H new ATOM 0 HD12 LEU A 115 7.534 -1.934 5.321 1.00 3.33 H new ATOM 0 HD13 LEU A 115 8.466 -2.976 4.219 1.00 3.33 H new ATOM 0 HD21 LEU A 115 6.393 -2.891 1.983 1.00 1.70 H new ATOM 0 HD22 LEU A 115 7.095 -4.446 2.489 1.00 1.70 H new ATOM 0 HD23 LEU A 115 5.329 -4.231 2.471 1.00 1.70 H new ATOM 1822 N PRO A 116 6.899 -6.001 7.917 1.00 0.77 N ATOM 1823 CA PRO A 116 6.252 -6.845 8.918 1.00 0.78 C ATOM 1824 C PRO A 116 4.722 -6.826 8.833 1.00 0.77 C ATOM 1825 O PRO A 116 4.103 -5.821 8.472 1.00 0.90 O ATOM 1826 CB PRO A 116 6.726 -6.327 10.279 1.00 0.87 C ATOM 1827 CG PRO A 116 7.008 -4.853 10.006 1.00 0.88 C ATOM 1828 CD PRO A 116 7.564 -4.890 8.586 1.00 0.84 C ATOM 0 HA PRO A 116 6.528 -7.886 8.752 1.00 0.78 H new ATOM 0 HB2 PRO A 116 5.964 -6.456 11.048 1.00 0.87 H new ATOM 0 HB3 PRO A 116 7.618 -6.852 10.622 1.00 0.87 H new ATOM 0 HG2 PRO A 116 6.105 -4.246 10.074 1.00 0.88 H new ATOM 0 HG3 PRO A 116 7.725 -4.438 10.714 1.00 0.88 H new ATOM 0 HD2 PRO A 116 7.370 -3.951 8.067 1.00 0.84 H new ATOM 0 HD3 PRO A 116 8.645 -5.032 8.595 1.00 0.84 H new ATOM 1836 N VAL A 117 4.110 -7.935 9.249 1.00 0.75 N ATOM 1837 CA VAL A 117 2.660 -8.012 9.468 1.00 0.77 C ATOM 1838 C VAL A 117 2.321 -7.498 10.874 1.00 0.95 C ATOM 1839 O VAL A 117 2.890 -7.956 11.863 1.00 1.09 O ATOM 1840 CB VAL A 117 2.146 -9.452 9.308 1.00 0.85 C ATOM 1841 CG1 VAL A 117 0.612 -9.516 9.422 1.00 0.94 C ATOM 1842 CG2 VAL A 117 2.559 -10.054 7.956 1.00 0.84 C ATOM 0 H VAL A 117 4.603 -8.807 9.444 1.00 0.75 H new ATOM 0 HA VAL A 117 2.171 -7.390 8.718 1.00 0.77 H new ATOM 0 HB VAL A 117 2.598 -10.030 10.114 1.00 0.85 H new ATOM 0 HG11 VAL A 117 0.281 -10.548 9.304 1.00 0.94 H new ATOM 0 HG12 VAL A 117 0.304 -9.145 10.400 1.00 0.94 H new ATOM 0 HG13 VAL A 117 0.163 -8.900 8.643 1.00 0.94 H new ATOM 0 HG21 VAL A 117 2.178 -11.072 7.879 1.00 0.84 H new ATOM 0 HG22 VAL A 117 2.146 -9.450 7.148 1.00 0.84 H new ATOM 0 HG23 VAL A 117 3.646 -10.067 7.880 1.00 0.84 H new ATOM 1852 N GLU A 118 1.367 -6.574 10.943 1.00 1.07 N ATOM 1853 CA GLU A 118 0.756 -6.024 12.154 1.00 1.21 C ATOM 1854 C GLU A 118 -0.744 -6.365 12.123 1.00 1.19 C ATOM 1855 O GLU A 118 -1.259 -6.836 11.108 1.00 1.74 O ATOM 1856 CB GLU A 118 1.012 -4.500 12.182 1.00 1.68 C ATOM 1857 CG GLU A 118 1.833 -4.018 13.382 1.00 2.09 C ATOM 1858 CD GLU A 118 0.967 -3.767 14.613 1.00 2.93 C ATOM 1859 OE1 GLU A 118 0.158 -4.657 14.951 1.00 3.87 O ATOM 1860 OE2 GLU A 118 1.107 -2.670 15.202 1.00 3.58 O ATOM 0 H GLU A 118 0.972 -6.160 10.098 1.00 1.07 H new ATOM 0 HA GLU A 118 1.185 -6.449 13.061 1.00 1.21 H new ATOM 0 HB2 GLU A 118 1.528 -4.214 11.266 1.00 1.68 H new ATOM 0 HB3 GLU A 118 0.053 -3.983 12.182 1.00 1.68 H new ATOM 0 HG2 GLU A 118 2.594 -4.761 13.621 1.00 2.09 H new ATOM 0 HG3 GLU A 118 2.357 -3.100 13.116 1.00 2.09 H new