USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 944 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 48 THR OG1 : rot 81:sc= 0 USER MOD Set 1.2: A 61 MET CE :methyl 177:sc= 0 (180deg=-0.0171) USER MOD Set 1.3: A 83 HIS : no HD1:sc= 0 X(o=-0.61,f=-1.1) USER MOD Set 1.4: A 85 MET CE :methyl -166:sc= -0.606 (180deg=-1.19) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 19 TYR OH : rot 30:sc= -0.0785 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.807 K(o=-0.81,f=-5.9!) USER MOD Single : A 37 THR OG1 : rot 87:sc= 0.584 USER MOD Single : A 46 HIS : no HD1:sc= -0.416 K(o=-0.42,f=-2.6!) USER MOD Single : A 50 MET CE :methyl -174:sc= 0 (180deg=-0.0794) USER MOD Single : A 56 LYS NZ :NH3+ -157:sc= 0.303 (180deg=-1.06!) USER MOD Single : A 57 LYS NZ :NH3+ 162:sc= 0.923 (180deg=-0.311) USER MOD Single : A 59 MET CE :methyl 165:sc= -0.0434 (180deg=-0.369) USER MOD Single : A 72 LYS NZ :NH3+ 142:sc= 0.684! (180deg=-0.0802!) USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= 0.393! (180deg=0.199!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= 0.332 (180deg=0.0893) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 154:sc= 1.58 (180deg=1.08) USER MOD Single : A 112 LYS NZ :NH3+ -123:sc= 0.52 (180deg=-1.58!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 12.629 -3.864 -1.092 1.00 2.08 N ATOM 56 CA GLU A 5 11.407 -4.511 -1.561 1.00 1.12 C ATOM 57 C GLU A 5 10.252 -4.337 -0.553 1.00 1.14 C ATOM 58 O GLU A 5 10.410 -3.747 0.524 1.00 1.95 O ATOM 59 CB GLU A 5 11.754 -5.991 -1.832 1.00 2.54 C ATOM 60 CG GLU A 5 10.889 -6.692 -2.891 1.00 3.89 C ATOM 61 CD GLU A 5 11.498 -8.039 -3.290 1.00 4.96 C ATOM 62 OE1 GLU A 5 11.690 -8.865 -2.374 1.00 5.54 O ATOM 63 OE2 GLU A 5 11.784 -8.213 -4.493 1.00 5.81 O ATOM 0 HA GLU A 5 11.047 -4.048 -2.480 1.00 1.12 H new ATOM 0 HB2 GLU A 5 12.797 -6.050 -2.143 1.00 2.54 H new ATOM 0 HB3 GLU A 5 11.669 -6.543 -0.896 1.00 2.54 H new ATOM 0 HG2 GLU A 5 9.883 -6.845 -2.501 1.00 3.89 H new ATOM 0 HG3 GLU A 5 10.797 -6.055 -3.771 1.00 3.89 H new ATOM 70 N GLY A 6 9.080 -4.858 -0.930 1.00 0.98 N ATOM 71 CA GLY A 6 7.799 -4.695 -0.245 1.00 0.99 C ATOM 72 C GLY A 6 7.540 -5.712 0.857 1.00 0.85 C ATOM 73 O GLY A 6 8.115 -6.794 0.853 1.00 0.96 O ATOM 0 H GLY A 6 8.998 -5.436 -1.767 1.00 0.98 H new ATOM 0 HA2 GLY A 6 7.755 -3.694 0.184 1.00 0.99 H new ATOM 0 HA3 GLY A 6 6.997 -4.762 -0.980 1.00 0.99 H new ATOM 77 N TRP A 7 6.575 -5.398 1.729 1.00 0.79 N ATOM 78 CA TRP A 7 6.084 -6.312 2.764 1.00 0.75 C ATOM 79 C TRP A 7 4.595 -6.101 3.074 1.00 0.78 C ATOM 80 O TRP A 7 4.076 -4.985 3.000 1.00 0.87 O ATOM 81 CB TRP A 7 6.921 -6.168 4.045 1.00 0.84 C ATOM 82 CG TRP A 7 6.781 -4.883 4.805 1.00 1.01 C ATOM 83 CD1 TRP A 7 6.158 -4.767 5.999 1.00 1.08 C ATOM 84 CD2 TRP A 7 7.280 -3.545 4.483 1.00 1.20 C ATOM 85 NE1 TRP A 7 6.241 -3.464 6.443 1.00 1.30 N ATOM 86 CE2 TRP A 7 6.930 -2.669 5.555 1.00 1.36 C ATOM 87 CE3 TRP A 7 8.023 -2.979 3.419 1.00 1.29 C ATOM 88 CZ2 TRP A 7 7.289 -1.313 5.571 1.00 1.58 C ATOM 89 CZ3 TRP A 7 8.378 -1.617 3.418 1.00 1.52 C ATOM 90 CH2 TRP A 7 8.011 -0.781 4.488 1.00 1.66 C ATOM 0 H TRP A 7 6.108 -4.491 1.735 1.00 0.79 H new ATOM 0 HA TRP A 7 6.191 -7.324 2.374 1.00 0.75 H new ATOM 0 HB2 TRP A 7 6.661 -6.988 4.714 1.00 0.84 H new ATOM 0 HB3 TRP A 7 7.971 -6.293 3.780 1.00 0.84 H new ATOM 0 HD1 TRP A 7 5.669 -5.573 6.526 1.00 1.08 H new ATOM 0 HE1 TRP A 7 5.842 -3.131 7.320 1.00 1.30 H new ATOM 0 HE3 TRP A 7 8.323 -3.605 2.592 1.00 1.29 H new ATOM 0 HZ2 TRP A 7 7.014 -0.685 6.405 1.00 1.58 H new ATOM 0 HZ3 TRP A 7 8.937 -1.210 2.588 1.00 1.52 H new ATOM 0 HH2 TRP A 7 8.282 0.264 4.478 1.00 1.66 H new ATOM 101 N VAL A 8 3.920 -7.172 3.478 1.00 0.80 N ATOM 102 CA VAL A 8 2.533 -7.166 3.968 1.00 0.89 C ATOM 103 C VAL A 8 2.562 -7.304 5.492 1.00 0.94 C ATOM 104 O VAL A 8 3.331 -8.105 6.024 1.00 0.94 O ATOM 105 CB VAL A 8 1.699 -8.275 3.286 1.00 0.93 C ATOM 106 CG1 VAL A 8 0.240 -8.268 3.774 1.00 1.11 C ATOM 107 CG2 VAL A 8 1.724 -8.063 1.760 1.00 1.02 C ATOM 0 H VAL A 8 4.332 -8.105 3.476 1.00 0.80 H new ATOM 0 HA VAL A 8 2.044 -6.226 3.711 1.00 0.89 H new ATOM 0 HB VAL A 8 2.139 -9.238 3.546 1.00 0.93 H new ATOM 0 HG11 VAL A 8 -0.315 -9.061 3.273 1.00 1.11 H new ATOM 0 HG12 VAL A 8 0.216 -8.433 4.851 1.00 1.11 H new ATOM 0 HG13 VAL A 8 -0.216 -7.305 3.544 1.00 1.11 H new ATOM 0 HG21 VAL A 8 1.137 -8.843 1.275 1.00 1.02 H new ATOM 0 HG22 VAL A 8 1.300 -7.088 1.521 1.00 1.02 H new ATOM 0 HG23 VAL A 8 2.753 -8.108 1.403 1.00 1.02 H new ATOM 117 N ARG A 9 1.776 -6.487 6.205 1.00 1.01 N ATOM 118 CA ARG A 9 1.977 -6.263 7.639 1.00 1.05 C ATOM 119 C ARG A 9 1.271 -7.287 8.541 1.00 1.09 C ATOM 120 O ARG A 9 0.084 -7.149 8.849 1.00 1.66 O ATOM 121 CB ARG A 9 1.611 -4.818 7.998 1.00 1.18 C ATOM 122 CG ARG A 9 2.318 -4.382 9.286 1.00 1.44 C ATOM 123 CD ARG A 9 2.058 -2.897 9.528 1.00 2.43 C ATOM 124 NE ARG A 9 2.974 -2.352 10.534 1.00 3.11 N ATOM 125 CZ ARG A 9 2.702 -2.012 11.782 1.00 3.50 C ATOM 126 NH1 ARG A 9 1.502 -2.183 12.298 1.00 3.47 N ATOM 127 NH2 ARG A 9 3.657 -1.498 12.522 1.00 4.57 N ATOM 0 H ARG A 9 0.992 -5.969 5.808 1.00 1.01 H new ATOM 0 HA ARG A 9 3.037 -6.419 7.839 1.00 1.05 H new ATOM 0 HB2 ARG A 9 1.891 -4.153 7.181 1.00 1.18 H new ATOM 0 HB3 ARG A 9 0.532 -4.732 8.123 1.00 1.18 H new ATOM 0 HG2 ARG A 9 1.955 -4.969 10.130 1.00 1.44 H new ATOM 0 HG3 ARG A 9 3.389 -4.567 9.207 1.00 1.44 H new ATOM 0 HD2 ARG A 9 2.173 -2.349 8.593 1.00 2.43 H new ATOM 0 HD3 ARG A 9 1.028 -2.755 9.856 1.00 2.43 H new ATOM 0 HE ARG A 9 3.940 -2.219 10.234 1.00 3.11 H new ATOM 0 HH11 ARG A 9 0.756 -2.587 11.731 1.00 3.47 H new ATOM 0 HH12 ARG A 9 1.319 -1.912 13.264 1.00 3.47 H new ATOM 0 HH21 ARG A 9 4.590 -1.367 12.132 1.00 4.57 H new ATOM 0 HH22 ARG A 9 3.466 -1.230 13.487 1.00 4.57 H new ATOM 141 N PHE A 10 2.025 -8.271 9.040 1.00 1.02 N ATOM 142 CA PHE A 10 1.571 -9.191 10.089 1.00 1.05 C ATOM 143 C PHE A 10 1.243 -8.426 11.380 1.00 1.18 C ATOM 144 O PHE A 10 2.011 -7.591 11.851 1.00 1.64 O ATOM 145 CB PHE A 10 2.605 -10.311 10.333 1.00 1.38 C ATOM 146 CG PHE A 10 2.480 -11.062 11.655 1.00 1.50 C ATOM 147 CD1 PHE A 10 1.231 -11.539 12.105 1.00 1.95 C ATOM 148 CD2 PHE A 10 3.615 -11.256 12.465 1.00 2.57 C ATOM 149 CE1 PHE A 10 1.102 -12.113 13.380 1.00 1.98 C ATOM 150 CE2 PHE A 10 3.490 -11.834 13.740 1.00 2.81 C ATOM 151 CZ PHE A 10 2.229 -12.243 14.209 1.00 1.91 C ATOM 0 H PHE A 10 2.978 -8.454 8.724 1.00 1.02 H new ATOM 0 HA PHE A 10 0.653 -9.670 9.749 1.00 1.05 H new ATOM 0 HB2 PHE A 10 2.528 -11.033 9.520 1.00 1.38 H new ATOM 0 HB3 PHE A 10 3.603 -9.875 10.279 1.00 1.38 H new ATOM 0 HD1 PHE A 10 0.366 -11.462 11.463 1.00 1.95 H new ATOM 0 HD2 PHE A 10 4.589 -10.959 12.104 1.00 2.57 H new ATOM 0 HE1 PHE A 10 0.137 -12.455 13.723 1.00 1.98 H new ATOM 0 HE2 PHE A 10 4.364 -11.964 14.361 1.00 2.81 H new ATOM 0 HZ PHE A 10 2.127 -12.655 15.202 1.00 1.91 H new ATOM 161 N SER A 11 0.093 -8.736 11.971 1.00 1.14 N ATOM 162 CA SER A 11 -0.376 -8.224 13.251 1.00 1.52 C ATOM 163 C SER A 11 -1.513 -9.116 13.792 1.00 1.69 C ATOM 164 O SER A 11 -2.139 -9.825 13.000 1.00 1.70 O ATOM 165 CB SER A 11 -0.836 -6.769 13.072 1.00 1.80 C ATOM 166 OG SER A 11 -1.545 -6.526 11.866 1.00 2.33 O ATOM 0 H SER A 11 -0.570 -9.385 11.547 1.00 1.14 H new ATOM 0 HA SER A 11 0.433 -8.244 13.981 1.00 1.52 H new ATOM 0 HB2 SER A 11 -1.470 -6.494 13.915 1.00 1.80 H new ATOM 0 HB3 SER A 11 0.037 -6.117 13.104 1.00 1.80 H new ATOM 0 HG SER A 11 -1.805 -5.582 11.824 1.00 2.33 H new ATOM 172 N PRO A 12 -1.782 -9.126 15.114 1.00 2.06 N ATOM 173 CA PRO A 12 -2.862 -9.904 15.716 1.00 2.38 C ATOM 174 C PRO A 12 -4.177 -9.104 15.682 1.00 2.31 C ATOM 175 O PRO A 12 -4.674 -8.671 16.721 1.00 3.21 O ATOM 176 CB PRO A 12 -2.357 -10.209 17.133 1.00 2.88 C ATOM 177 CG PRO A 12 -1.586 -8.938 17.491 1.00 2.87 C ATOM 178 CD PRO A 12 -0.956 -8.529 16.159 1.00 2.37 C ATOM 0 HA PRO A 12 -3.094 -10.828 15.187 1.00 2.38 H new ATOM 0 HB2 PRO A 12 -3.178 -10.394 17.825 1.00 2.88 H new ATOM 0 HB3 PRO A 12 -1.717 -11.091 17.155 1.00 2.88 H new ATOM 0 HG2 PRO A 12 -2.246 -8.162 17.880 1.00 2.87 H new ATOM 0 HG3 PRO A 12 -0.830 -9.126 18.254 1.00 2.87 H new ATOM 0 HD2 PRO A 12 -0.927 -7.444 16.059 1.00 2.37 H new ATOM 0 HD3 PRO A 12 0.073 -8.883 16.091 1.00 2.37 H new ATOM 186 N GLY A 13 -4.721 -8.861 14.481 1.00 1.56 N ATOM 187 CA GLY A 13 -5.910 -8.015 14.293 1.00 1.53 C ATOM 188 C GLY A 13 -6.830 -8.408 13.125 1.00 1.23 C ATOM 189 O GLY A 13 -6.413 -9.154 12.238 1.00 1.39 O ATOM 0 H GLY A 13 -4.350 -9.245 13.612 1.00 1.56 H new ATOM 0 HA2 GLY A 13 -6.494 -8.032 15.213 1.00 1.53 H new ATOM 0 HA3 GLY A 13 -5.581 -6.987 14.143 1.00 1.53 H new ATOM 193 N PRO A 14 -8.076 -7.886 13.102 1.00 1.12 N ATOM 194 CA PRO A 14 -9.030 -8.055 12.002 1.00 1.17 C ATOM 195 C PRO A 14 -8.754 -7.098 10.827 1.00 0.90 C ATOM 196 O PRO A 14 -9.356 -7.240 9.761 1.00 1.07 O ATOM 197 CB PRO A 14 -10.392 -7.752 12.635 1.00 1.42 C ATOM 198 CG PRO A 14 -10.055 -6.653 13.644 1.00 1.35 C ATOM 199 CD PRO A 14 -8.673 -7.066 14.153 1.00 1.28 C ATOM 0 HA PRO A 14 -8.967 -9.055 11.573 1.00 1.17 H new ATOM 0 HB2 PRO A 14 -11.117 -7.414 11.894 1.00 1.42 H new ATOM 0 HB3 PRO A 14 -10.818 -8.630 13.120 1.00 1.42 H new ATOM 0 HG2 PRO A 14 -10.035 -5.668 13.177 1.00 1.35 H new ATOM 0 HG3 PRO A 14 -10.786 -6.608 14.451 1.00 1.35 H new ATOM 0 HD2 PRO A 14 -8.057 -6.191 14.360 1.00 1.28 H new ATOM 0 HD3 PRO A 14 -8.753 -7.626 15.085 1.00 1.28 H new ATOM 207 N ASN A 15 -7.853 -6.131 11.020 1.00 0.68 N ATOM 208 CA ASN A 15 -7.386 -5.179 10.022 1.00 0.58 C ATOM 209 C ASN A 15 -5.882 -4.895 10.189 1.00 0.74 C ATOM 210 O ASN A 15 -5.331 -4.985 11.287 1.00 1.01 O ATOM 211 CB ASN A 15 -8.228 -3.892 10.066 1.00 0.80 C ATOM 212 CG ASN A 15 -8.078 -3.052 11.332 1.00 1.31 C ATOM 213 OD1 ASN A 15 -8.076 -3.543 12.450 1.00 2.08 O ATOM 214 ND2 ASN A 15 -7.983 -1.740 11.192 1.00 1.80 N ATOM 0 H ASN A 15 -7.409 -5.988 11.927 1.00 0.68 H new ATOM 0 HA ASN A 15 -7.517 -5.620 9.034 1.00 0.58 H new ATOM 0 HB2 ASN A 15 -7.962 -3.275 9.208 1.00 0.80 H new ATOM 0 HB3 ASN A 15 -9.278 -4.161 9.952 1.00 0.80 H new ATOM 0 HD21 ASN A 15 -7.908 -1.143 12.016 1.00 1.80 H new ATOM 0 HD22 ASN A 15 -7.984 -1.325 10.260 1.00 1.80 H new ATOM 221 N ALA A 16 -5.223 -4.545 9.080 1.00 0.71 N ATOM 222 CA ALA A 16 -3.775 -4.369 8.971 1.00 0.87 C ATOM 223 C ALA A 16 -3.412 -3.440 7.794 1.00 0.73 C ATOM 224 O ALA A 16 -4.272 -2.726 7.277 1.00 0.77 O ATOM 225 CB ALA A 16 -3.112 -5.757 8.878 1.00 1.15 C ATOM 0 H ALA A 16 -5.706 -4.370 8.199 1.00 0.71 H new ATOM 0 HA ALA A 16 -3.389 -3.871 9.861 1.00 0.87 H new ATOM 0 HB1 ALA A 16 -2.031 -5.639 8.796 1.00 1.15 H new ATOM 0 HB2 ALA A 16 -3.348 -6.333 9.773 1.00 1.15 H new ATOM 0 HB3 ALA A 16 -3.487 -6.281 7.999 1.00 1.15 H new ATOM 231 N ALA A 17 -2.147 -3.449 7.370 1.00 0.94 N ATOM 232 CA ALA A 17 -1.639 -2.695 6.225 1.00 0.91 C ATOM 233 C ALA A 17 -0.925 -3.629 5.234 1.00 0.99 C ATOM 234 O ALA A 17 -0.390 -4.658 5.646 1.00 1.21 O ATOM 235 CB ALA A 17 -0.668 -1.620 6.738 1.00 1.10 C ATOM 0 H ALA A 17 -1.424 -4.001 7.831 1.00 0.94 H new ATOM 0 HA ALA A 17 -2.471 -2.225 5.700 1.00 0.91 H new ATOM 0 HB1 ALA A 17 -0.280 -1.048 5.895 1.00 1.10 H new ATOM 0 HB2 ALA A 17 -1.193 -0.951 7.419 1.00 1.10 H new ATOM 0 HB3 ALA A 17 0.159 -2.098 7.264 1.00 1.10 H new ATOM 241 N ALA A 18 -0.834 -3.244 3.964 1.00 0.98 N ATOM 242 CA ALA A 18 0.181 -3.733 3.034 1.00 1.01 C ATOM 243 C ALA A 18 0.989 -2.564 2.451 1.00 0.94 C ATOM 244 O ALA A 18 0.470 -1.460 2.246 1.00 0.92 O ATOM 245 CB ALA A 18 -0.478 -4.568 1.931 1.00 1.11 C ATOM 0 H ALA A 18 -1.475 -2.571 3.544 1.00 0.98 H new ATOM 0 HA ALA A 18 0.878 -4.374 3.573 1.00 1.01 H new ATOM 0 HB1 ALA A 18 0.286 -4.929 1.242 1.00 1.11 H new ATOM 0 HB2 ALA A 18 -0.994 -5.418 2.377 1.00 1.11 H new ATOM 0 HB3 ALA A 18 -1.195 -3.952 1.388 1.00 1.11 H new ATOM 251 N TYR A 19 2.253 -2.851 2.156 1.00 1.01 N ATOM 252 CA TYR A 19 3.183 -1.980 1.446 1.00 1.23 C ATOM 253 C TYR A 19 3.822 -2.736 0.268 1.00 1.39 C ATOM 254 O TYR A 19 3.584 -3.925 0.054 1.00 1.76 O ATOM 255 CB TYR A 19 4.276 -1.474 2.403 1.00 1.29 C ATOM 256 CG TYR A 19 3.808 -1.077 3.788 1.00 1.25 C ATOM 257 CD1 TYR A 19 3.336 0.221 4.059 1.00 2.38 C ATOM 258 CD2 TYR A 19 3.854 -2.031 4.817 1.00 1.72 C ATOM 259 CE1 TYR A 19 2.903 0.550 5.360 1.00 2.58 C ATOM 260 CE2 TYR A 19 3.451 -1.705 6.119 1.00 1.60 C ATOM 261 CZ TYR A 19 2.950 -0.413 6.391 1.00 1.45 C ATOM 262 OH TYR A 19 2.498 -0.091 7.632 1.00 1.66 O ATOM 0 H TYR A 19 2.677 -3.741 2.418 1.00 1.01 H new ATOM 0 HA TYR A 19 2.632 -1.123 1.059 1.00 1.23 H new ATOM 0 HB2 TYR A 19 5.032 -2.253 2.505 1.00 1.29 H new ATOM 0 HB3 TYR A 19 4.764 -0.614 1.945 1.00 1.29 H new ATOM 0 HD1 TYR A 19 3.306 0.962 3.274 1.00 2.38 H new ATOM 0 HD2 TYR A 19 4.205 -3.030 4.602 1.00 1.72 H new ATOM 0 HE1 TYR A 19 2.534 1.543 5.569 1.00 2.58 H new ATOM 0 HE2 TYR A 19 3.523 -2.437 6.910 1.00 1.60 H new ATOM 0 HH TYR A 19 1.785 0.578 7.557 1.00 1.66 H new ATOM 272 N LEU A 20 4.667 -2.031 -0.491 1.00 1.24 N ATOM 273 CA LEU A 20 5.355 -2.510 -1.687 1.00 1.34 C ATOM 274 C LEU A 20 6.421 -1.517 -2.146 1.00 1.26 C ATOM 275 O LEU A 20 6.331 -0.338 -1.813 1.00 1.19 O ATOM 276 CB LEU A 20 4.390 -2.873 -2.832 1.00 1.32 C ATOM 277 CG LEU A 20 3.636 -1.710 -3.504 1.00 1.24 C ATOM 278 CD1 LEU A 20 3.040 -2.214 -4.819 1.00 1.53 C ATOM 279 CD2 LEU A 20 2.473 -1.193 -2.647 1.00 1.55 C ATOM 0 H LEU A 20 4.899 -1.062 -0.274 1.00 1.24 H new ATOM 0 HA LEU A 20 5.854 -3.437 -1.406 1.00 1.34 H new ATOM 0 HB2 LEU A 20 4.958 -3.398 -3.600 1.00 1.32 H new ATOM 0 HB3 LEU A 20 3.653 -3.576 -2.444 1.00 1.32 H new ATOM 0 HG LEU A 20 4.350 -0.899 -3.650 1.00 1.24 H new ATOM 0 HD11 LEU A 20 2.502 -1.403 -5.309 1.00 1.53 H new ATOM 0 HD12 LEU A 20 3.840 -2.564 -5.471 1.00 1.53 H new ATOM 0 HD13 LEU A 20 2.352 -3.035 -4.616 1.00 1.53 H new ATOM 0 HD21 LEU A 20 1.975 -0.374 -3.166 1.00 1.55 H new ATOM 0 HD22 LEU A 20 1.761 -2.000 -2.475 1.00 1.55 H new ATOM 0 HD23 LEU A 20 2.856 -0.837 -1.691 1.00 1.55 H new ATOM 291 N THR A 21 7.357 -1.999 -2.963 1.00 1.49 N ATOM 292 CA THR A 21 8.109 -1.168 -3.908 1.00 1.44 C ATOM 293 C THR A 21 7.434 -1.327 -5.264 1.00 1.39 C ATOM 294 O THR A 21 6.891 -2.396 -5.550 1.00 1.50 O ATOM 295 CB THR A 21 9.589 -1.565 -3.919 1.00 1.58 C ATOM 296 OG1 THR A 21 10.057 -1.406 -2.603 1.00 1.64 O ATOM 297 CG2 THR A 21 10.439 -0.665 -4.818 1.00 1.68 C ATOM 0 H THR A 21 7.618 -2.985 -2.989 1.00 1.49 H new ATOM 0 HA THR A 21 8.098 -0.116 -3.622 1.00 1.44 H new ATOM 0 HB THR A 21 9.671 -2.584 -4.296 1.00 1.58 H new ATOM 0 HG1 THR A 21 11.005 -1.652 -2.561 1.00 1.64 H new ATOM 0 HG21 THR A 21 11.477 -0.995 -4.785 1.00 1.68 H new ATOM 0 HG22 THR A 21 10.072 -0.723 -5.843 1.00 1.68 H new ATOM 0 HG23 THR A 21 10.374 0.365 -4.467 1.00 1.68 H new ATOM 305 N LEU A 22 7.400 -0.266 -6.071 1.00 1.50 N ATOM 306 CA LEU A 22 6.715 -0.231 -7.363 1.00 1.48 C ATOM 307 C LEU A 22 7.341 0.830 -8.269 1.00 1.23 C ATOM 308 O LEU A 22 7.428 2.001 -7.890 1.00 1.21 O ATOM 309 CB LEU A 22 5.214 0.029 -7.109 1.00 1.66 C ATOM 310 CG LEU A 22 4.242 0.001 -8.309 1.00 1.74 C ATOM 311 CD1 LEU A 22 4.206 1.332 -9.070 1.00 2.10 C ATOM 312 CD2 LEU A 22 4.501 -1.170 -9.266 1.00 2.63 C ATOM 0 H LEU A 22 7.859 0.614 -5.838 1.00 1.50 H new ATOM 0 HA LEU A 22 6.822 -1.184 -7.881 1.00 1.48 H new ATOM 0 HB2 LEU A 22 4.868 -0.710 -6.387 1.00 1.66 H new ATOM 0 HB3 LEU A 22 5.124 1.006 -6.634 1.00 1.66 H new ATOM 0 HG LEU A 22 3.256 -0.155 -7.872 1.00 1.74 H new ATOM 0 HD11 LEU A 22 3.507 1.256 -9.903 1.00 2.10 H new ATOM 0 HD12 LEU A 22 3.884 2.127 -8.397 1.00 2.10 H new ATOM 0 HD13 LEU A 22 5.201 1.560 -9.451 1.00 2.10 H new ATOM 0 HD21 LEU A 22 3.786 -1.134 -10.088 1.00 2.63 H new ATOM 0 HD22 LEU A 22 5.514 -1.098 -9.663 1.00 2.63 H new ATOM 0 HD23 LEU A 22 4.388 -2.111 -8.728 1.00 2.63 H new ATOM 324 N GLU A 23 7.709 0.420 -9.479 1.00 1.23 N ATOM 325 CA GLU A 23 8.196 1.281 -10.554 1.00 1.18 C ATOM 326 C GLU A 23 7.201 1.355 -11.706 1.00 1.12 C ATOM 327 O GLU A 23 6.507 0.392 -12.024 1.00 1.25 O ATOM 328 CB GLU A 23 9.563 0.855 -11.131 1.00 1.72 C ATOM 329 CG GLU A 23 10.142 -0.510 -10.735 1.00 1.47 C ATOM 330 CD GLU A 23 11.048 -0.339 -9.522 1.00 1.87 C ATOM 331 OE1 GLU A 23 10.540 -0.248 -8.386 1.00 2.68 O ATOM 332 OE2 GLU A 23 12.271 -0.184 -9.733 1.00 2.74 O ATOM 0 H GLU A 23 7.675 -0.563 -9.750 1.00 1.23 H new ATOM 0 HA GLU A 23 8.316 2.257 -10.084 1.00 1.18 H new ATOM 0 HB2 GLU A 23 9.483 0.876 -12.218 1.00 1.72 H new ATOM 0 HB3 GLU A 23 10.291 1.616 -10.850 1.00 1.72 H new ATOM 0 HG2 GLU A 23 9.336 -1.207 -10.506 1.00 1.47 H new ATOM 0 HG3 GLU A 23 10.704 -0.935 -11.567 1.00 1.47 H new ATOM 339 N ASN A 24 7.229 2.487 -12.402 1.00 1.08 N ATOM 340 CA ASN A 24 6.666 2.637 -13.727 1.00 1.11 C ATOM 341 C ASN A 24 7.773 2.505 -14.791 1.00 1.25 C ATOM 342 O ASN A 24 8.588 3.420 -14.934 1.00 1.24 O ATOM 343 CB ASN A 24 5.996 4.009 -13.815 1.00 1.00 C ATOM 344 CG ASN A 24 5.309 4.209 -15.146 1.00 1.04 C ATOM 345 OD1 ASN A 24 5.218 3.317 -15.977 1.00 1.19 O ATOM 346 ND2 ASN A 24 4.777 5.389 -15.356 1.00 0.99 N ATOM 0 H ASN A 24 7.656 3.342 -12.046 1.00 1.08 H new ATOM 0 HA ASN A 24 5.928 1.856 -13.912 1.00 1.11 H new ATOM 0 HB2 ASN A 24 5.268 4.111 -13.010 1.00 1.00 H new ATOM 0 HB3 ASN A 24 6.743 4.789 -13.670 1.00 1.00 H new ATOM 0 HD21 ASN A 24 4.276 5.575 -16.225 1.00 0.99 H new ATOM 0 HD22 ASN A 24 4.864 6.120 -14.650 1.00 0.99 H new ATOM 353 N PRO A 25 7.809 1.411 -15.572 1.00 1.45 N ATOM 354 CA PRO A 25 8.748 1.259 -16.683 1.00 1.62 C ATOM 355 C PRO A 25 8.282 1.932 -17.986 1.00 1.66 C ATOM 356 O PRO A 25 9.065 2.005 -18.934 1.00 1.79 O ATOM 357 CB PRO A 25 8.867 -0.258 -16.861 1.00 1.81 C ATOM 358 CG PRO A 25 7.463 -0.749 -16.499 1.00 1.77 C ATOM 359 CD PRO A 25 7.058 0.181 -15.363 1.00 1.56 C ATOM 0 HA PRO A 25 9.696 1.750 -16.461 1.00 1.62 H new ATOM 0 HB2 PRO A 25 9.139 -0.526 -17.882 1.00 1.81 H new ATOM 0 HB3 PRO A 25 9.627 -0.684 -16.206 1.00 1.81 H new ATOM 0 HG2 PRO A 25 6.779 -0.675 -17.344 1.00 1.77 H new ATOM 0 HG3 PRO A 25 7.469 -1.792 -16.184 1.00 1.77 H new ATOM 0 HD2 PRO A 25 5.985 0.371 -15.376 1.00 1.56 H new ATOM 0 HD3 PRO A 25 7.292 -0.260 -14.394 1.00 1.56 H new ATOM 367 N GLY A 26 7.036 2.418 -18.057 1.00 1.57 N ATOM 368 CA GLY A 26 6.461 3.042 -19.246 1.00 1.63 C ATOM 369 C GLY A 26 6.821 4.518 -19.386 1.00 1.50 C ATOM 370 O GLY A 26 7.405 5.131 -18.495 1.00 1.41 O ATOM 0 H GLY A 26 6.389 2.385 -17.269 1.00 1.57 H new ATOM 0 HA2 GLY A 26 6.804 2.506 -20.131 1.00 1.63 H new ATOM 0 HA3 GLY A 26 5.376 2.941 -19.212 1.00 1.63 H new ATOM 374 N ASP A 27 6.474 5.070 -20.545 1.00 1.54 N ATOM 375 CA ASP A 27 6.723 6.460 -20.957 1.00 1.51 C ATOM 376 C ASP A 27 5.523 7.388 -20.674 1.00 1.43 C ATOM 377 O ASP A 27 5.614 8.603 -20.828 1.00 1.44 O ATOM 378 CB ASP A 27 7.103 6.445 -22.448 1.00 1.74 C ATOM 379 CG ASP A 27 8.350 5.584 -22.677 1.00 2.06 C ATOM 380 OD1 ASP A 27 8.222 4.337 -22.711 1.00 3.04 O ATOM 381 OD2 ASP A 27 9.472 6.129 -22.629 1.00 2.49 O ATOM 0 H ASP A 27 5.985 4.537 -21.264 1.00 1.54 H new ATOM 0 HA ASP A 27 7.541 6.873 -20.366 1.00 1.51 H new ATOM 0 HB2 ASP A 27 6.272 6.056 -23.037 1.00 1.74 H new ATOM 0 HB3 ASP A 27 7.289 7.463 -22.792 1.00 1.74 H new ATOM 386 N LEU A 28 4.409 6.811 -20.205 1.00 1.41 N ATOM 387 CA LEU A 28 3.202 7.491 -19.726 1.00 1.38 C ATOM 388 C LEU A 28 3.057 7.228 -18.208 1.00 1.16 C ATOM 389 O LEU A 28 3.601 6.233 -17.730 1.00 1.15 O ATOM 390 CB LEU A 28 1.950 6.986 -20.470 1.00 1.59 C ATOM 391 CG LEU A 28 2.000 6.767 -21.998 1.00 2.47 C ATOM 392 CD1 LEU A 28 2.561 7.972 -22.767 1.00 4.71 C ATOM 393 CD2 LEU A 28 2.693 5.459 -22.420 1.00 1.52 C ATOM 0 H LEU A 28 4.323 5.796 -20.147 1.00 1.41 H new ATOM 0 HA LEU A 28 3.294 8.560 -19.917 1.00 1.38 H new ATOM 0 HB2 LEU A 28 1.662 6.038 -20.015 1.00 1.59 H new ATOM 0 HB3 LEU A 28 1.145 7.693 -20.269 1.00 1.59 H new ATOM 0 HG LEU A 28 0.953 6.664 -22.285 1.00 2.47 H new ATOM 0 HD11 LEU A 28 2.568 7.751 -23.834 1.00 4.71 H new ATOM 0 HD12 LEU A 28 1.936 8.845 -22.581 1.00 4.71 H new ATOM 0 HD13 LEU A 28 3.578 8.176 -22.432 1.00 4.71 H new ATOM 0 HD21 LEU A 28 2.687 5.379 -23.507 1.00 1.52 H new ATOM 0 HD22 LEU A 28 3.722 5.461 -22.061 1.00 1.52 H new ATOM 0 HD23 LEU A 28 2.161 4.610 -21.991 1.00 1.52 H new ATOM 405 N PRO A 29 2.328 8.048 -17.426 1.00 1.08 N ATOM 406 CA PRO A 29 2.266 7.911 -15.970 1.00 0.91 C ATOM 407 C PRO A 29 1.308 6.779 -15.546 1.00 0.89 C ATOM 408 O PRO A 29 0.324 6.505 -16.234 1.00 1.08 O ATOM 409 CB PRO A 29 1.796 9.275 -15.459 1.00 0.96 C ATOM 410 CG PRO A 29 0.946 9.820 -16.608 1.00 1.15 C ATOM 411 CD PRO A 29 1.531 9.177 -17.871 1.00 1.23 C ATOM 0 HA PRO A 29 3.233 7.637 -15.549 1.00 0.91 H new ATOM 0 HB2 PRO A 29 1.215 9.180 -14.541 1.00 0.96 H new ATOM 0 HB3 PRO A 29 2.638 9.931 -15.237 1.00 0.96 H new ATOM 0 HG2 PRO A 29 -0.104 9.558 -16.481 1.00 1.15 H new ATOM 0 HG3 PRO A 29 0.999 10.908 -16.657 1.00 1.15 H new ATOM 0 HD2 PRO A 29 0.738 8.851 -18.544 1.00 1.23 H new ATOM 0 HD3 PRO A 29 2.143 9.891 -18.422 1.00 1.23 H new ATOM 419 N LEU A 30 1.558 6.151 -14.386 1.00 0.73 N ATOM 420 CA LEU A 30 0.667 5.146 -13.784 1.00 0.73 C ATOM 421 C LEU A 30 -0.136 5.743 -12.649 1.00 0.69 C ATOM 422 O LEU A 30 0.424 6.343 -11.742 1.00 0.85 O ATOM 423 CB LEU A 30 1.411 3.945 -13.199 1.00 0.84 C ATOM 424 CG LEU A 30 2.165 3.149 -14.251 1.00 0.86 C ATOM 425 CD1 LEU A 30 2.749 1.892 -13.609 1.00 1.62 C ATOM 426 CD2 LEU A 30 1.440 2.776 -15.541 1.00 2.11 C ATOM 0 H LEU A 30 2.396 6.329 -13.832 1.00 0.73 H new ATOM 0 HA LEU A 30 0.031 4.815 -14.605 1.00 0.73 H new ATOM 0 HB2 LEU A 30 2.113 4.292 -12.441 1.00 0.84 H new ATOM 0 HB3 LEU A 30 0.698 3.291 -12.697 1.00 0.84 H new ATOM 0 HG LEU A 30 2.925 3.850 -14.596 1.00 0.86 H new ATOM 0 HD11 LEU A 30 3.291 1.318 -14.360 1.00 1.62 H new ATOM 0 HD12 LEU A 30 3.431 2.176 -12.808 1.00 1.62 H new ATOM 0 HD13 LEU A 30 1.942 1.284 -13.200 1.00 1.62 H new ATOM 0 HD21 LEU A 30 2.113 2.211 -16.186 1.00 2.11 H new ATOM 0 HD22 LEU A 30 0.567 2.167 -15.305 1.00 2.11 H new ATOM 0 HD23 LEU A 30 1.121 3.683 -16.055 1.00 2.11 H new ATOM 438 N ARG A 31 -1.429 5.459 -12.674 1.00 0.66 N ATOM 439 CA ARG A 31 -2.408 5.894 -11.661 1.00 0.64 C ATOM 440 C ARG A 31 -3.019 4.682 -10.950 1.00 0.64 C ATOM 441 O ARG A 31 -3.769 3.918 -11.562 1.00 0.66 O ATOM 442 CB ARG A 31 -3.456 6.808 -12.313 1.00 0.65 C ATOM 443 CG ARG A 31 -4.241 7.643 -11.282 1.00 0.63 C ATOM 444 CD ARG A 31 -4.929 8.878 -11.889 1.00 0.77 C ATOM 445 NE ARG A 31 -3.957 9.909 -12.311 1.00 1.44 N ATOM 446 CZ ARG A 31 -3.870 10.555 -13.466 1.00 1.73 C ATOM 447 NH1 ARG A 31 -4.800 10.486 -14.401 1.00 1.99 N ATOM 448 NH2 ARG A 31 -2.809 11.291 -13.688 1.00 2.86 N ATOM 0 H ARG A 31 -1.850 4.903 -13.418 1.00 0.66 H new ATOM 0 HA ARG A 31 -1.910 6.480 -10.888 1.00 0.64 H new ATOM 0 HB2 ARG A 31 -2.961 7.478 -13.016 1.00 0.65 H new ATOM 0 HB3 ARG A 31 -4.154 6.201 -12.889 1.00 0.65 H new ATOM 0 HG2 ARG A 31 -4.995 7.011 -10.813 1.00 0.63 H new ATOM 0 HG3 ARG A 31 -3.561 7.966 -10.494 1.00 0.63 H new ATOM 0 HD2 ARG A 31 -5.528 8.573 -12.747 1.00 0.77 H new ATOM 0 HD3 ARG A 31 -5.615 9.306 -11.158 1.00 0.77 H new ATOM 0 HE ARG A 31 -3.254 10.159 -11.616 1.00 1.44 H new ATOM 0 HH11 ARG A 31 -5.633 9.916 -14.251 1.00 1.99 H new ATOM 0 HH12 ARG A 31 -4.686 11.003 -15.273 1.00 1.99 H new ATOM 0 HH21 ARG A 31 -2.076 11.356 -12.981 1.00 2.86 H new ATOM 0 HH22 ARG A 31 -2.716 11.799 -14.568 1.00 2.86 H new ATOM 462 N LEU A 32 -2.632 4.482 -9.691 1.00 0.62 N ATOM 463 CA LEU A 32 -2.876 3.302 -8.856 1.00 0.55 C ATOM 464 C LEU A 32 -4.125 3.540 -8.000 1.00 0.51 C ATOM 465 O LEU A 32 -4.127 4.413 -7.137 1.00 0.56 O ATOM 466 CB LEU A 32 -1.609 3.088 -8.003 1.00 0.53 C ATOM 467 CG LEU A 32 -1.619 1.879 -7.042 1.00 0.52 C ATOM 468 CD1 LEU A 32 -1.479 0.547 -7.796 1.00 0.70 C ATOM 469 CD2 LEU A 32 -0.450 2.015 -6.052 1.00 0.66 C ATOM 0 H LEU A 32 -2.100 5.192 -9.189 1.00 0.62 H new ATOM 0 HA LEU A 32 -3.065 2.406 -9.447 1.00 0.55 H new ATOM 0 HB2 LEU A 32 -0.759 2.981 -8.677 1.00 0.53 H new ATOM 0 HB3 LEU A 32 -1.438 3.990 -7.415 1.00 0.53 H new ATOM 0 HG LEU A 32 -2.575 1.874 -6.519 1.00 0.52 H new ATOM 0 HD11 LEU A 32 -1.491 -0.278 -7.083 1.00 0.70 H new ATOM 0 HD12 LEU A 32 -2.309 0.435 -8.494 1.00 0.70 H new ATOM 0 HD13 LEU A 32 -0.538 0.538 -8.346 1.00 0.70 H new ATOM 0 HD21 LEU A 32 -0.450 1.165 -5.370 1.00 0.66 H new ATOM 0 HD22 LEU A 32 0.491 2.039 -6.601 1.00 0.66 H new ATOM 0 HD23 LEU A 32 -0.561 2.937 -5.482 1.00 0.66 H new ATOM 481 N VAL A 33 -5.175 2.759 -8.247 1.00 0.51 N ATOM 482 CA VAL A 33 -6.524 2.967 -7.682 1.00 0.54 C ATOM 483 C VAL A 33 -6.879 1.949 -6.587 1.00 0.52 C ATOM 484 O VAL A 33 -7.905 2.090 -5.925 1.00 0.60 O ATOM 485 CB VAL A 33 -7.614 2.959 -8.786 1.00 0.63 C ATOM 486 CG1 VAL A 33 -7.360 4.062 -9.830 1.00 0.70 C ATOM 487 CG2 VAL A 33 -7.737 1.618 -9.533 1.00 0.68 C ATOM 0 H VAL A 33 -5.119 1.944 -8.858 1.00 0.51 H new ATOM 0 HA VAL A 33 -6.499 3.953 -7.217 1.00 0.54 H new ATOM 0 HB VAL A 33 -8.547 3.136 -8.251 1.00 0.63 H new ATOM 0 HG11 VAL A 33 -8.141 4.030 -10.590 1.00 0.70 H new ATOM 0 HG12 VAL A 33 -7.370 5.036 -9.340 1.00 0.70 H new ATOM 0 HG13 VAL A 33 -6.390 3.902 -10.300 1.00 0.70 H new ATOM 0 HG21 VAL A 33 -8.519 1.693 -10.288 1.00 0.68 H new ATOM 0 HG22 VAL A 33 -6.788 1.382 -10.015 1.00 0.68 H new ATOM 0 HG23 VAL A 33 -7.990 0.829 -8.825 1.00 0.68 H new ATOM 497 N GLY A 34 -6.058 0.907 -6.403 1.00 0.47 N ATOM 498 CA GLY A 34 -6.285 -0.162 -5.439 1.00 0.53 C ATOM 499 C GLY A 34 -5.244 -1.267 -5.577 1.00 0.48 C ATOM 500 O GLY A 34 -4.283 -1.149 -6.342 1.00 0.44 O ATOM 0 H GLY A 34 -5.197 0.787 -6.937 1.00 0.47 H new ATOM 0 HA2 GLY A 34 -6.254 0.245 -4.428 1.00 0.53 H new ATOM 0 HA3 GLY A 34 -7.282 -0.579 -5.584 1.00 0.53 H new ATOM 504 N ALA A 35 -5.466 -2.364 -4.864 1.00 0.56 N ATOM 505 CA ALA A 35 -4.671 -3.585 -4.937 1.00 0.58 C ATOM 506 C ALA A 35 -5.510 -4.805 -4.531 1.00 0.70 C ATOM 507 O ALA A 35 -6.629 -4.625 -4.043 1.00 0.87 O ATOM 508 CB ALA A 35 -3.460 -3.420 -4.026 1.00 0.68 C ATOM 0 H ALA A 35 -6.232 -2.431 -4.194 1.00 0.56 H new ATOM 0 HA ALA A 35 -4.338 -3.754 -5.961 1.00 0.58 H new ATOM 0 HB1 ALA A 35 -2.850 -4.322 -4.065 1.00 0.68 H new ATOM 0 HB2 ALA A 35 -2.868 -2.567 -4.359 1.00 0.68 H new ATOM 0 HB3 ALA A 35 -3.795 -3.252 -3.002 1.00 0.68 H new ATOM 514 N ARG A 36 -5.029 -6.046 -4.720 1.00 0.72 N ATOM 515 CA ARG A 36 -5.937 -7.184 -4.645 1.00 0.72 C ATOM 516 C ARG A 36 -5.141 -8.446 -4.355 1.00 0.78 C ATOM 517 O ARG A 36 -4.310 -8.853 -5.147 1.00 1.06 O ATOM 518 CB ARG A 36 -6.724 -7.197 -5.967 1.00 0.96 C ATOM 519 CG ARG A 36 -7.365 -8.526 -6.336 1.00 1.44 C ATOM 520 CD ARG A 36 -8.419 -8.975 -5.315 1.00 2.22 C ATOM 521 NE ARG A 36 -9.274 -10.018 -5.892 1.00 3.14 N ATOM 522 CZ ARG A 36 -10.337 -9.820 -6.665 1.00 3.76 C ATOM 523 NH1 ARG A 36 -10.785 -8.614 -6.957 1.00 4.05 N ATOM 524 NH2 ARG A 36 -10.979 -10.847 -7.176 1.00 4.95 N ATOM 0 H ARG A 36 -4.055 -6.274 -4.918 1.00 0.72 H new ATOM 0 HA ARG A 36 -6.657 -7.118 -3.829 1.00 0.72 H new ATOM 0 HB2 ARG A 36 -7.506 -6.440 -5.911 1.00 0.96 H new ATOM 0 HB3 ARG A 36 -6.052 -6.902 -6.773 1.00 0.96 H new ATOM 0 HG2 ARG A 36 -7.829 -8.441 -7.319 1.00 1.44 H new ATOM 0 HG3 ARG A 36 -6.591 -9.290 -6.414 1.00 1.44 H new ATOM 0 HD2 ARG A 36 -7.929 -9.352 -4.418 1.00 2.22 H new ATOM 0 HD3 ARG A 36 -9.027 -8.123 -5.011 1.00 2.22 H new ATOM 0 HE ARG A 36 -9.030 -10.985 -5.680 1.00 3.14 H new ATOM 0 HH11 ARG A 36 -10.312 -7.790 -6.585 1.00 4.05 H new ATOM 0 HH12 ARG A 36 -11.605 -8.505 -7.554 1.00 4.05 H new ATOM 0 HH21 ARG A 36 -10.661 -11.796 -6.979 1.00 4.95 H new ATOM 0 HH22 ARG A 36 -11.795 -10.695 -7.769 1.00 4.95 H new ATOM 538 N THR A 37 -5.379 -9.052 -3.200 1.00 0.66 N ATOM 539 CA THR A 37 -4.617 -10.197 -2.700 1.00 0.71 C ATOM 540 C THR A 37 -5.584 -11.333 -2.339 1.00 0.73 C ATOM 541 O THR A 37 -6.755 -11.033 -2.086 1.00 0.77 O ATOM 542 CB THR A 37 -3.775 -9.726 -1.511 1.00 0.77 C ATOM 543 OG1 THR A 37 -3.094 -10.820 -0.976 1.00 0.84 O ATOM 544 CG2 THR A 37 -4.561 -9.076 -0.370 1.00 0.78 C ATOM 0 H THR A 37 -6.123 -8.758 -2.568 1.00 0.66 H new ATOM 0 HA THR A 37 -3.939 -10.592 -3.456 1.00 0.71 H new ATOM 0 HB THR A 37 -3.114 -8.960 -1.916 1.00 0.77 H new ATOM 0 HG1 THR A 37 -2.244 -10.939 -1.449 1.00 0.84 H new ATOM 0 HG21 THR A 37 -3.874 -8.778 0.422 1.00 0.78 H new ATOM 0 HG22 THR A 37 -5.086 -8.197 -0.744 1.00 0.78 H new ATOM 0 HG23 THR A 37 -5.284 -9.789 0.026 1.00 0.78 H new ATOM 552 N PRO A 38 -5.145 -12.604 -2.256 1.00 0.78 N ATOM 553 CA PRO A 38 -5.918 -13.660 -1.614 1.00 0.80 C ATOM 554 C PRO A 38 -6.075 -13.475 -0.102 1.00 0.78 C ATOM 555 O PRO A 38 -6.996 -14.054 0.464 1.00 0.88 O ATOM 556 CB PRO A 38 -5.151 -14.950 -1.903 1.00 0.87 C ATOM 557 CG PRO A 38 -3.711 -14.500 -2.118 1.00 0.87 C ATOM 558 CD PRO A 38 -3.914 -13.158 -2.808 1.00 0.87 C ATOM 0 HA PRO A 38 -6.935 -13.661 -2.006 1.00 0.80 H new ATOM 0 HB2 PRO A 38 -5.227 -15.651 -1.072 1.00 0.87 H new ATOM 0 HB3 PRO A 38 -5.544 -15.456 -2.785 1.00 0.87 H new ATOM 0 HG2 PRO A 38 -3.167 -14.400 -1.178 1.00 0.87 H new ATOM 0 HG3 PRO A 38 -3.150 -15.200 -2.738 1.00 0.87 H new ATOM 0 HD2 PRO A 38 -3.070 -12.493 -2.624 1.00 0.87 H new ATOM 0 HD3 PRO A 38 -3.992 -13.282 -3.888 1.00 0.87 H new ATOM 566 N VAL A 39 -5.183 -12.720 0.558 1.00 0.75 N ATOM 567 CA VAL A 39 -5.147 -12.643 2.041 1.00 0.78 C ATOM 568 C VAL A 39 -6.057 -11.563 2.671 1.00 0.80 C ATOM 569 O VAL A 39 -5.995 -11.343 3.881 1.00 0.98 O ATOM 570 CB VAL A 39 -3.710 -12.630 2.624 1.00 0.86 C ATOM 571 CG1 VAL A 39 -2.870 -13.738 1.961 1.00 0.95 C ATOM 572 CG2 VAL A 39 -2.988 -11.277 2.528 1.00 0.96 C ATOM 0 H VAL A 39 -4.474 -12.151 0.095 1.00 0.75 H new ATOM 0 HA VAL A 39 -5.599 -13.585 2.350 1.00 0.78 H new ATOM 0 HB VAL A 39 -3.819 -12.818 3.692 1.00 0.86 H new ATOM 0 HG11 VAL A 39 -1.861 -13.726 2.373 1.00 0.95 H new ATOM 0 HG12 VAL A 39 -3.329 -14.708 2.154 1.00 0.95 H new ATOM 0 HG13 VAL A 39 -2.825 -13.566 0.886 1.00 0.95 H new ATOM 0 HG21 VAL A 39 -1.991 -11.365 2.960 1.00 0.96 H new ATOM 0 HG22 VAL A 39 -2.905 -10.982 1.482 1.00 0.96 H new ATOM 0 HG23 VAL A 39 -3.555 -10.523 3.074 1.00 0.96 H new ATOM 582 N ALA A 40 -6.935 -10.906 1.897 1.00 0.72 N ATOM 583 CA ALA A 40 -7.812 -9.826 2.383 1.00 0.72 C ATOM 584 C ALA A 40 -9.150 -9.730 1.629 1.00 0.70 C ATOM 585 O ALA A 40 -9.284 -10.253 0.525 1.00 0.88 O ATOM 586 CB ALA A 40 -7.051 -8.495 2.310 1.00 0.89 C ATOM 0 H ALA A 40 -7.058 -11.111 0.905 1.00 0.72 H new ATOM 0 HA ALA A 40 -8.075 -10.060 3.415 1.00 0.72 H new ATOM 0 HB1 ALA A 40 -7.692 -7.689 2.668 1.00 0.89 H new ATOM 0 HB2 ALA A 40 -6.158 -8.552 2.932 1.00 0.89 H new ATOM 0 HB3 ALA A 40 -6.762 -8.297 1.278 1.00 0.89 H new ATOM 592 N GLU A 41 -10.122 -9.044 2.245 1.00 0.71 N ATOM 593 CA GLU A 41 -11.434 -8.711 1.680 1.00 0.78 C ATOM 594 C GLU A 41 -11.424 -7.278 1.092 1.00 0.80 C ATOM 595 O GLU A 41 -11.104 -7.065 -0.079 1.00 1.07 O ATOM 596 CB GLU A 41 -12.487 -8.916 2.793 1.00 0.87 C ATOM 597 CG GLU A 41 -13.936 -8.949 2.288 1.00 1.11 C ATOM 598 CD GLU A 41 -14.302 -10.363 1.853 1.00 1.84 C ATOM 599 OE1 GLU A 41 -14.008 -10.725 0.693 1.00 2.39 O ATOM 600 OE2 GLU A 41 -14.706 -11.175 2.718 1.00 2.96 O ATOM 0 H GLU A 41 -10.008 -8.690 3.195 1.00 0.71 H new ATOM 0 HA GLU A 41 -11.687 -9.363 0.844 1.00 0.78 H new ATOM 0 HB2 GLU A 41 -12.273 -9.850 3.312 1.00 0.87 H new ATOM 0 HB3 GLU A 41 -12.387 -8.114 3.525 1.00 0.87 H new ATOM 0 HG2 GLU A 41 -14.612 -8.615 3.075 1.00 1.11 H new ATOM 0 HG3 GLU A 41 -14.055 -8.260 1.452 1.00 1.11 H new ATOM 607 N ARG A 42 -11.735 -6.267 1.915 1.00 0.71 N ATOM 608 CA ARG A 42 -11.775 -4.855 1.534 1.00 0.78 C ATOM 609 C ARG A 42 -10.360 -4.259 1.550 1.00 0.75 C ATOM 610 O ARG A 42 -9.706 -4.208 2.590 1.00 1.04 O ATOM 611 CB ARG A 42 -12.743 -4.120 2.487 1.00 0.93 C ATOM 612 CG ARG A 42 -12.635 -2.581 2.482 1.00 1.28 C ATOM 613 CD ARG A 42 -13.512 -1.948 3.574 1.00 1.41 C ATOM 614 NE ARG A 42 -14.796 -1.438 3.053 1.00 1.91 N ATOM 615 CZ ARG A 42 -15.261 -0.192 3.151 1.00 2.67 C ATOM 616 NH1 ARG A 42 -14.595 0.793 3.711 1.00 3.19 N ATOM 617 NH2 ARG A 42 -16.454 0.089 2.669 1.00 3.64 N ATOM 0 H ARG A 42 -11.973 -6.418 2.895 1.00 0.71 H new ATOM 0 HA ARG A 42 -12.145 -4.739 0.515 1.00 0.78 H new ATOM 0 HB2 ARG A 42 -13.764 -4.396 2.225 1.00 0.93 H new ATOM 0 HB3 ARG A 42 -12.567 -4.476 3.502 1.00 0.93 H new ATOM 0 HG2 ARG A 42 -11.596 -2.288 2.634 1.00 1.28 H new ATOM 0 HG3 ARG A 42 -12.935 -2.198 1.507 1.00 1.28 H new ATOM 0 HD2 ARG A 42 -13.708 -2.688 4.350 1.00 1.41 H new ATOM 0 HD3 ARG A 42 -12.965 -1.130 4.044 1.00 1.41 H new ATOM 0 HE ARG A 42 -15.390 -2.110 2.567 1.00 1.91 H new ATOM 0 HH11 ARG A 42 -13.668 0.625 4.101 1.00 3.19 H new ATOM 0 HH12 ARG A 42 -15.005 1.726 3.755 1.00 3.19 H new ATOM 0 HH21 ARG A 42 -17.011 -0.643 2.227 1.00 3.64 H new ATOM 0 HH22 ARG A 42 -16.821 1.038 2.738 1.00 3.64 H new ATOM 631 N VAL A 43 -9.935 -3.740 0.402 1.00 0.69 N ATOM 632 CA VAL A 43 -8.768 -2.847 0.246 1.00 0.80 C ATOM 633 C VAL A 43 -9.178 -1.367 0.342 1.00 0.83 C ATOM 634 O VAL A 43 -10.214 -0.989 -0.204 1.00 1.26 O ATOM 635 CB VAL A 43 -8.041 -3.127 -1.095 1.00 1.44 C ATOM 636 CG1 VAL A 43 -8.862 -2.724 -2.337 1.00 2.03 C ATOM 637 CG2 VAL A 43 -6.661 -2.451 -1.139 1.00 1.37 C ATOM 0 H VAL A 43 -10.404 -3.930 -0.484 1.00 0.69 H new ATOM 0 HA VAL A 43 -8.078 -3.055 1.064 1.00 0.80 H new ATOM 0 HB VAL A 43 -7.914 -4.209 -1.133 1.00 1.44 H new ATOM 0 HG11 VAL A 43 -8.292 -2.948 -3.239 1.00 2.03 H new ATOM 0 HG12 VAL A 43 -9.798 -3.282 -2.351 1.00 2.03 H new ATOM 0 HG13 VAL A 43 -9.077 -1.656 -2.300 1.00 2.03 H new ATOM 0 HG21 VAL A 43 -6.180 -2.668 -2.093 1.00 1.37 H new ATOM 0 HG22 VAL A 43 -6.780 -1.373 -1.030 1.00 1.37 H new ATOM 0 HG23 VAL A 43 -6.043 -2.832 -0.326 1.00 1.37 H new ATOM 647 N GLU A 44 -8.344 -0.530 0.974 1.00 0.63 N ATOM 648 CA GLU A 44 -8.427 0.938 0.926 1.00 0.67 C ATOM 649 C GLU A 44 -7.015 1.545 0.845 1.00 0.60 C ATOM 650 O GLU A 44 -6.254 1.410 1.800 1.00 0.69 O ATOM 651 CB GLU A 44 -9.094 1.478 2.207 1.00 0.70 C ATOM 652 CG GLU A 44 -10.557 1.071 2.410 1.00 0.86 C ATOM 653 CD GLU A 44 -11.127 1.616 3.723 1.00 1.23 C ATOM 654 OE1 GLU A 44 -10.781 2.758 4.103 1.00 2.23 O ATOM 655 OE2 GLU A 44 -11.961 0.896 4.323 1.00 1.89 O ATOM 0 H GLU A 44 -7.571 -0.864 1.549 1.00 0.63 H new ATOM 0 HA GLU A 44 -9.013 1.212 0.049 1.00 0.67 H new ATOM 0 HB2 GLU A 44 -8.518 1.138 3.067 1.00 0.70 H new ATOM 0 HB3 GLU A 44 -9.036 2.566 2.195 1.00 0.70 H new ATOM 0 HG2 GLU A 44 -11.155 1.438 1.575 1.00 0.86 H new ATOM 0 HG3 GLU A 44 -10.635 -0.016 2.404 1.00 0.86 H new ATOM 662 N LEU A 45 -6.626 2.247 -0.234 1.00 0.51 N ATOM 663 CA LEU A 45 -5.370 2.992 -0.233 1.00 0.48 C ATOM 664 C LEU A 45 -5.514 4.291 0.563 1.00 0.44 C ATOM 665 O LEU A 45 -6.300 5.179 0.215 1.00 0.46 O ATOM 666 CB LEU A 45 -4.897 3.221 -1.675 1.00 0.51 C ATOM 667 CG LEU A 45 -3.410 3.626 -1.707 1.00 0.54 C ATOM 668 CD1 LEU A 45 -2.787 3.248 -3.040 1.00 0.55 C ATOM 669 CD2 LEU A 45 -3.184 5.128 -1.596 1.00 0.66 C ATOM 0 H LEU A 45 -7.159 2.310 -1.102 1.00 0.51 H new ATOM 0 HA LEU A 45 -4.598 2.409 0.269 1.00 0.48 H new ATOM 0 HB2 LEU A 45 -5.043 2.312 -2.259 1.00 0.51 H new ATOM 0 HB3 LEU A 45 -5.501 4.000 -2.141 1.00 0.51 H new ATOM 0 HG LEU A 45 -2.968 3.110 -0.855 1.00 0.54 H new ATOM 0 HD11 LEU A 45 -1.737 3.541 -3.047 1.00 0.55 H new ATOM 0 HD12 LEU A 45 -2.864 2.171 -3.185 1.00 0.55 H new ATOM 0 HD13 LEU A 45 -3.312 3.761 -3.846 1.00 0.55 H new ATOM 0 HD21 LEU A 45 -2.115 5.338 -1.625 1.00 0.66 H new ATOM 0 HD22 LEU A 45 -3.676 5.632 -2.428 1.00 0.66 H new ATOM 0 HD23 LEU A 45 -3.599 5.490 -0.655 1.00 0.66 H new ATOM 681 N HIS A 46 -4.713 4.406 1.616 1.00 0.43 N ATOM 682 CA HIS A 46 -4.633 5.573 2.481 1.00 0.43 C ATOM 683 C HIS A 46 -3.357 6.409 2.232 1.00 0.46 C ATOM 684 O HIS A 46 -2.306 5.897 1.829 1.00 0.47 O ATOM 685 CB HIS A 46 -4.738 5.153 3.961 1.00 0.48 C ATOM 686 CG HIS A 46 -6.099 4.732 4.495 1.00 0.50 C ATOM 687 ND1 HIS A 46 -6.451 4.790 5.845 1.00 0.55 N ATOM 688 CD2 HIS A 46 -7.182 4.275 3.797 1.00 0.53 C ATOM 689 CE1 HIS A 46 -7.699 4.295 5.928 1.00 0.58 C ATOM 690 NE2 HIS A 46 -8.169 3.976 4.714 1.00 0.57 N ATOM 0 H HIS A 46 -4.078 3.660 1.900 1.00 0.43 H new ATOM 0 HA HIS A 46 -5.479 6.215 2.235 1.00 0.43 H new ATOM 0 HB2 HIS A 46 -4.047 4.326 4.122 1.00 0.48 H new ATOM 0 HB3 HIS A 46 -4.385 5.986 4.569 1.00 0.48 H new ATOM 0 HD2 HIS A 46 -7.252 4.168 2.725 1.00 0.53 H new ATOM 0 HE1 HIS A 46 -8.249 4.171 6.849 1.00 0.58 H new ATOM 0 HE2 HIS A 46 -9.088 3.584 4.506 1.00 0.57 H new ATOM 698 N GLU A 47 -3.477 7.705 2.514 1.00 0.51 N ATOM 699 CA GLU A 47 -2.386 8.671 2.664 1.00 0.58 C ATOM 700 C GLU A 47 -1.963 8.798 4.137 1.00 0.55 C ATOM 701 O GLU A 47 -2.550 8.181 5.028 1.00 0.56 O ATOM 702 CB GLU A 47 -2.820 10.044 2.095 1.00 0.69 C ATOM 703 CG GLU A 47 -3.906 10.732 2.940 1.00 0.70 C ATOM 704 CD GLU A 47 -4.348 12.081 2.384 1.00 1.04 C ATOM 705 OE1 GLU A 47 -3.476 12.949 2.200 1.00 1.79 O ATOM 706 OE2 GLU A 47 -5.581 12.266 2.212 1.00 2.48 O ATOM 0 H GLU A 47 -4.391 8.136 2.652 1.00 0.51 H new ATOM 0 HA GLU A 47 -1.523 8.314 2.102 1.00 0.58 H new ATOM 0 HB2 GLU A 47 -1.949 10.696 2.033 1.00 0.69 H new ATOM 0 HB3 GLU A 47 -3.190 9.909 1.079 1.00 0.69 H new ATOM 0 HG2 GLU A 47 -4.773 10.075 3.008 1.00 0.70 H new ATOM 0 HG3 GLU A 47 -3.532 10.871 3.954 1.00 0.70 H new ATOM 713 N THR A 48 -0.972 9.647 4.406 1.00 0.73 N ATOM 714 CA THR A 48 -0.563 10.096 5.743 1.00 0.80 C ATOM 715 C THR A 48 -0.131 11.554 5.636 1.00 0.93 C ATOM 716 O THR A 48 1.010 11.849 5.287 1.00 1.00 O ATOM 717 CB THR A 48 0.572 9.234 6.293 1.00 0.96 C ATOM 718 OG1 THR A 48 0.182 7.887 6.222 1.00 1.04 O ATOM 719 CG2 THR A 48 0.885 9.574 7.748 1.00 1.08 C ATOM 0 H THR A 48 -0.405 10.061 3.667 1.00 0.73 H new ATOM 0 HA THR A 48 -1.398 9.999 6.436 1.00 0.80 H new ATOM 0 HB THR A 48 1.466 9.423 5.699 1.00 0.96 H new ATOM 0 HG1 THR A 48 0.325 7.553 5.312 1.00 1.04 H new ATOM 0 HG21 THR A 48 1.697 8.940 8.103 1.00 1.08 H new ATOM 0 HG22 THR A 48 1.183 10.620 7.821 1.00 1.08 H new ATOM 0 HG23 THR A 48 -0.001 9.405 8.360 1.00 1.08 H new ATOM 727 N PHE A 49 -1.068 12.467 5.884 1.00 1.18 N ATOM 728 CA PHE A 49 -0.858 13.900 5.739 1.00 1.24 C ATOM 729 C PHE A 49 -0.365 14.537 7.039 1.00 1.17 C ATOM 730 O PHE A 49 -0.798 14.205 8.142 1.00 1.23 O ATOM 731 CB PHE A 49 -2.139 14.585 5.230 1.00 1.28 C ATOM 732 CG PHE A 49 -3.339 14.502 6.161 1.00 1.21 C ATOM 733 CD1 PHE A 49 -3.472 15.418 7.221 1.00 2.36 C ATOM 734 CD2 PHE A 49 -4.305 13.493 5.997 1.00 1.99 C ATOM 735 CE1 PHE A 49 -4.545 15.316 8.120 1.00 2.38 C ATOM 736 CE2 PHE A 49 -5.373 13.383 6.903 1.00 1.92 C ATOM 737 CZ PHE A 49 -5.494 14.295 7.960 1.00 1.15 C ATOM 0 H PHE A 49 -2.008 12.225 6.196 1.00 1.18 H new ATOM 0 HA PHE A 49 -0.074 14.047 4.997 1.00 1.24 H new ATOM 0 HB2 PHE A 49 -1.918 15.636 5.042 1.00 1.28 H new ATOM 0 HB3 PHE A 49 -2.412 14.141 4.273 1.00 1.28 H new ATOM 0 HD1 PHE A 49 -2.743 16.205 7.344 1.00 2.36 H new ATOM 0 HD2 PHE A 49 -4.225 12.801 5.172 1.00 1.99 H new ATOM 0 HE1 PHE A 49 -4.640 16.021 8.932 1.00 2.38 H new ATOM 0 HE2 PHE A 49 -6.102 12.595 6.785 1.00 1.92 H new ATOM 0 HZ PHE A 49 -6.319 14.212 8.652 1.00 1.15 H new ATOM 747 N MET A 50 0.473 15.556 6.878 1.00 1.20 N ATOM 748 CA MET A 50 0.840 16.511 7.923 1.00 1.25 C ATOM 749 C MET A 50 -0.161 17.671 7.960 1.00 1.17 C ATOM 750 O MET A 50 -0.703 18.065 6.924 1.00 1.52 O ATOM 751 CB MET A 50 2.287 16.992 7.715 1.00 1.59 C ATOM 752 CG MET A 50 2.534 17.827 6.444 1.00 2.73 C ATOM 753 SD MET A 50 2.249 17.054 4.823 1.00 4.39 S ATOM 754 CE MET A 50 3.420 15.674 4.896 1.00 4.07 C ATOM 0 H MET A 50 0.932 15.748 5.987 1.00 1.20 H new ATOM 0 HA MET A 50 0.797 16.021 8.895 1.00 1.25 H new ATOM 0 HB2 MET A 50 2.582 17.585 8.581 1.00 1.59 H new ATOM 0 HB3 MET A 50 2.941 16.120 7.688 1.00 1.59 H new ATOM 0 HG2 MET A 50 1.903 18.714 6.503 1.00 2.73 H new ATOM 0 HG3 MET A 50 3.568 18.170 6.470 1.00 2.73 H new ATOM 0 HE1 MET A 50 3.443 15.165 3.932 1.00 4.07 H new ATOM 0 HE2 MET A 50 4.415 16.053 5.130 1.00 4.07 H new ATOM 0 HE3 MET A 50 3.108 14.972 5.670 1.00 4.07 H new ATOM 764 N ARG A 51 -0.403 18.234 9.148 1.00 1.20 N ATOM 765 CA ARG A 51 -1.282 19.391 9.384 1.00 1.31 C ATOM 766 C ARG A 51 -0.930 20.086 10.707 1.00 1.49 C ATOM 767 O ARG A 51 -0.501 19.422 11.652 1.00 1.55 O ATOM 768 CB ARG A 51 -2.766 18.945 9.404 1.00 1.48 C ATOM 769 CG ARG A 51 -3.680 19.706 8.427 1.00 2.31 C ATOM 770 CD ARG A 51 -3.344 19.382 6.967 1.00 3.22 C ATOM 771 NE ARG A 51 -4.332 19.915 6.016 1.00 4.01 N ATOM 772 CZ ARG A 51 -4.342 19.655 4.711 1.00 5.13 C ATOM 773 NH1 ARG A 51 -3.459 18.838 4.166 1.00 5.80 N ATOM 774 NH2 ARG A 51 -5.248 20.215 3.940 1.00 6.02 N ATOM 0 H ARG A 51 0.023 17.885 10.007 1.00 1.20 H new ATOM 0 HA ARG A 51 -1.132 20.099 8.569 1.00 1.31 H new ATOM 0 HB2 ARG A 51 -2.815 17.881 9.172 1.00 1.48 H new ATOM 0 HB3 ARG A 51 -3.155 19.069 10.415 1.00 1.48 H new ATOM 0 HG2 ARG A 51 -4.720 19.449 8.627 1.00 2.31 H new ATOM 0 HG3 ARG A 51 -3.579 20.778 8.594 1.00 2.31 H new ATOM 0 HD2 ARG A 51 -2.362 19.789 6.727 1.00 3.22 H new ATOM 0 HD3 ARG A 51 -3.279 18.301 6.847 1.00 3.22 H new ATOM 0 HE ARG A 51 -5.061 20.527 6.383 1.00 4.01 H new ATOM 0 HH11 ARG A 51 -2.750 18.391 4.748 1.00 5.80 H new ATOM 0 HH12 ARG A 51 -3.486 18.654 3.163 1.00 5.80 H new ATOM 0 HH21 ARG A 51 -5.940 20.847 4.343 1.00 6.02 H new ATOM 0 HH22 ARG A 51 -5.258 20.018 2.939 1.00 6.02 H new ATOM 788 N GLU A 52 -1.208 21.384 10.795 1.00 1.64 N ATOM 789 CA GLU A 52 -1.406 22.053 12.078 1.00 1.66 C ATOM 790 C GLU A 52 -2.901 22.028 12.402 1.00 1.61 C ATOM 791 O GLU A 52 -3.727 22.175 11.504 1.00 1.82 O ATOM 792 CB GLU A 52 -0.861 23.493 12.054 1.00 1.96 C ATOM 793 CG GLU A 52 0.472 23.623 12.802 1.00 2.56 C ATOM 794 CD GLU A 52 1.647 22.960 12.081 1.00 3.15 C ATOM 795 OE1 GLU A 52 1.669 21.716 11.947 1.00 3.48 O ATOM 796 OE2 GLU A 52 2.631 23.655 11.749 1.00 4.06 O ATOM 0 H GLU A 52 -1.302 21.998 9.986 1.00 1.64 H new ATOM 0 HA GLU A 52 -0.850 21.528 12.855 1.00 1.66 H new ATOM 0 HB2 GLU A 52 -0.728 23.812 11.020 1.00 1.96 H new ATOM 0 HB3 GLU A 52 -1.594 24.164 12.502 1.00 1.96 H new ATOM 0 HG2 GLU A 52 0.696 24.680 12.947 1.00 2.56 H new ATOM 0 HG3 GLU A 52 0.368 23.180 13.792 1.00 2.56 H new ATOM 803 N VAL A 53 -3.233 21.826 13.676 1.00 1.52 N ATOM 804 CA VAL A 53 -4.604 21.770 14.203 1.00 1.59 C ATOM 805 C VAL A 53 -4.572 22.391 15.596 1.00 1.91 C ATOM 806 O VAL A 53 -3.795 21.944 16.434 1.00 3.47 O ATOM 807 CB VAL A 53 -5.139 20.316 14.288 1.00 1.64 C ATOM 808 CG1 VAL A 53 -6.603 20.309 14.759 1.00 1.92 C ATOM 809 CG2 VAL A 53 -5.055 19.556 12.951 1.00 2.62 C ATOM 0 H VAL A 53 -2.529 21.691 14.402 1.00 1.52 H new ATOM 0 HA VAL A 53 -5.273 22.310 13.533 1.00 1.59 H new ATOM 0 HB VAL A 53 -4.496 19.805 15.005 1.00 1.64 H new ATOM 0 HG11 VAL A 53 -6.963 19.282 14.813 1.00 1.92 H new ATOM 0 HG12 VAL A 53 -6.670 20.770 15.745 1.00 1.92 H new ATOM 0 HG13 VAL A 53 -7.215 20.871 14.053 1.00 1.92 H new ATOM 0 HG21 VAL A 53 -5.445 18.547 13.081 1.00 2.62 H new ATOM 0 HG22 VAL A 53 -5.645 20.079 12.198 1.00 2.62 H new ATOM 0 HG23 VAL A 53 -4.016 19.504 12.627 1.00 2.62 H new ATOM 819 N GLU A 54 -5.343 23.461 15.819 1.00 1.43 N ATOM 820 CA GLU A 54 -5.303 24.263 17.060 1.00 1.51 C ATOM 821 C GLU A 54 -3.912 24.919 17.272 1.00 1.51 C ATOM 822 O GLU A 54 -3.491 25.166 18.399 1.00 1.72 O ATOM 823 CB GLU A 54 -5.729 23.391 18.263 1.00 1.70 C ATOM 824 CG GLU A 54 -6.364 24.179 19.420 1.00 2.22 C ATOM 825 CD GLU A 54 -6.311 23.365 20.713 1.00 2.59 C ATOM 826 OE1 GLU A 54 -6.405 22.117 20.658 1.00 3.36 O ATOM 827 OE2 GLU A 54 -6.000 23.939 21.781 1.00 3.19 O ATOM 0 H GLU A 54 -6.022 23.803 15.139 1.00 1.43 H new ATOM 0 HA GLU A 54 -6.015 25.084 16.970 1.00 1.51 H new ATOM 0 HB2 GLU A 54 -6.438 22.638 17.919 1.00 1.70 H new ATOM 0 HB3 GLU A 54 -4.855 22.858 18.638 1.00 1.70 H new ATOM 0 HG2 GLU A 54 -5.838 25.124 19.556 1.00 2.22 H new ATOM 0 HG3 GLU A 54 -7.399 24.422 19.178 1.00 2.22 H new ATOM 834 N GLY A 55 -3.144 25.116 16.189 1.00 1.51 N ATOM 835 CA GLY A 55 -1.739 25.553 16.217 1.00 1.73 C ATOM 836 C GLY A 55 -0.735 24.432 16.525 1.00 1.76 C ATOM 837 O GLY A 55 0.468 24.614 16.360 1.00 2.14 O ATOM 0 H GLY A 55 -3.494 24.971 15.242 1.00 1.51 H new ATOM 0 HA2 GLY A 55 -1.489 25.994 15.252 1.00 1.73 H new ATOM 0 HA3 GLY A 55 -1.630 26.338 16.965 1.00 1.73 H new ATOM 841 N LYS A 56 -1.206 23.256 16.946 1.00 1.52 N ATOM 842 CA LYS A 56 -0.404 22.099 17.322 1.00 1.69 C ATOM 843 C LYS A 56 -0.104 21.249 16.076 1.00 1.54 C ATOM 844 O LYS A 56 -0.968 21.087 15.210 1.00 1.32 O ATOM 845 CB LYS A 56 -1.184 21.302 18.387 1.00 1.77 C ATOM 846 CG LYS A 56 -1.562 22.134 19.632 1.00 2.19 C ATOM 847 CD LYS A 56 -2.619 21.442 20.502 1.00 2.84 C ATOM 848 CE LYS A 56 -3.106 22.435 21.565 1.00 2.85 C ATOM 849 NZ LYS A 56 -4.291 21.940 22.302 1.00 3.22 N ATOM 0 H LYS A 56 -2.207 23.081 17.037 1.00 1.52 H new ATOM 0 HA LYS A 56 0.554 22.406 17.742 1.00 1.69 H new ATOM 0 HB2 LYS A 56 -2.094 20.905 17.937 1.00 1.77 H new ATOM 0 HB3 LYS A 56 -0.584 20.448 18.700 1.00 1.77 H new ATOM 0 HG2 LYS A 56 -0.668 22.316 20.228 1.00 2.19 H new ATOM 0 HG3 LYS A 56 -1.937 23.107 19.315 1.00 2.19 H new ATOM 0 HD2 LYS A 56 -3.454 21.107 19.887 1.00 2.84 H new ATOM 0 HD3 LYS A 56 -2.197 20.556 20.977 1.00 2.84 H new ATOM 0 HE2 LYS A 56 -2.299 22.632 22.271 1.00 2.85 H new ATOM 0 HE3 LYS A 56 -3.350 23.384 21.087 1.00 2.85 H new ATOM 0 HZ1 LYS A 56 -4.810 22.746 22.707 1.00 3.22 H new ATOM 0 HZ2 LYS A 56 -4.913 21.420 21.650 1.00 3.22 H new ATOM 0 HZ3 LYS A 56 -3.984 21.306 23.067 1.00 3.22 H new ATOM 863 N LYS A 57 1.110 20.700 15.961 1.00 1.79 N ATOM 864 CA LYS A 57 1.522 19.898 14.797 1.00 1.74 C ATOM 865 C LYS A 57 0.974 18.459 14.895 1.00 1.43 C ATOM 866 O LYS A 57 1.163 17.813 15.924 1.00 1.64 O ATOM 867 CB LYS A 57 3.058 19.921 14.647 1.00 2.25 C ATOM 868 CG LYS A 57 3.638 21.352 14.676 1.00 2.64 C ATOM 869 CD LYS A 57 5.066 21.485 14.124 1.00 3.37 C ATOM 870 CE LYS A 57 5.270 20.997 12.678 1.00 3.55 C ATOM 871 NZ LYS A 57 4.376 21.666 11.702 1.00 3.92 N ATOM 0 H LYS A 57 1.837 20.797 16.670 1.00 1.79 H new ATOM 0 HA LYS A 57 1.094 20.341 13.898 1.00 1.74 H new ATOM 0 HB2 LYS A 57 3.506 19.335 15.450 1.00 2.25 H new ATOM 0 HB3 LYS A 57 3.335 19.440 13.709 1.00 2.25 H new ATOM 0 HG2 LYS A 57 2.981 22.006 14.103 1.00 2.64 H new ATOM 0 HG3 LYS A 57 3.627 21.711 15.705 1.00 2.64 H new ATOM 0 HD2 LYS A 57 5.361 22.533 14.180 1.00 3.37 H new ATOM 0 HD3 LYS A 57 5.741 20.929 14.775 1.00 3.37 H new ATOM 0 HE2 LYS A 57 6.307 21.167 12.387 1.00 3.55 H new ATOM 0 HE3 LYS A 57 5.100 19.921 12.638 1.00 3.55 H new ATOM 0 HZ1 LYS A 57 4.752 21.535 10.741 1.00 3.92 H new ATOM 0 HZ2 LYS A 57 3.424 21.251 11.761 1.00 3.92 H new ATOM 0 HZ3 LYS A 57 4.324 22.682 11.918 1.00 3.92 H new ATOM 885 N VAL A 58 0.304 17.968 13.849 1.00 1.18 N ATOM 886 CA VAL A 58 -0.455 16.702 13.825 1.00 0.99 C ATOM 887 C VAL A 58 -0.159 15.922 12.531 1.00 1.02 C ATOM 888 O VAL A 58 0.125 16.514 11.489 1.00 1.31 O ATOM 889 CB VAL A 58 -1.972 16.995 13.981 1.00 1.15 C ATOM 890 CG1 VAL A 58 -2.879 15.771 13.762 1.00 1.64 C ATOM 891 CG2 VAL A 58 -2.282 17.575 15.372 1.00 1.37 C ATOM 0 H VAL A 58 0.270 18.458 12.955 1.00 1.18 H new ATOM 0 HA VAL A 58 -0.142 16.078 14.662 1.00 0.99 H new ATOM 0 HB VAL A 58 -2.193 17.717 13.195 1.00 1.15 H new ATOM 0 HG11 VAL A 58 -3.921 16.063 13.889 1.00 1.64 H new ATOM 0 HG12 VAL A 58 -2.731 15.384 12.754 1.00 1.64 H new ATOM 0 HG13 VAL A 58 -2.628 14.997 14.488 1.00 1.64 H new ATOM 0 HG21 VAL A 58 -3.351 17.771 15.454 1.00 1.37 H new ATOM 0 HG22 VAL A 58 -1.984 16.860 16.139 1.00 1.37 H new ATOM 0 HG23 VAL A 58 -1.731 18.505 15.509 1.00 1.37 H new ATOM 901 N MET A 59 -0.234 14.588 12.604 1.00 0.98 N ATOM 902 CA MET A 59 -0.192 13.673 11.457 1.00 1.00 C ATOM 903 C MET A 59 -1.495 12.859 11.411 1.00 0.96 C ATOM 904 O MET A 59 -1.965 12.424 12.464 1.00 1.14 O ATOM 905 CB MET A 59 1.021 12.739 11.606 1.00 1.15 C ATOM 906 CG MET A 59 1.485 12.166 10.262 1.00 2.40 C ATOM 907 SD MET A 59 2.272 13.339 9.121 1.00 3.81 S ATOM 908 CE MET A 59 3.727 13.828 10.079 1.00 3.74 C ATOM 0 H MET A 59 -0.329 14.099 13.494 1.00 0.98 H new ATOM 0 HA MET A 59 -0.096 14.235 10.528 1.00 1.00 H new ATOM 0 HB2 MET A 59 1.843 13.286 12.068 1.00 1.15 H new ATOM 0 HB3 MET A 59 0.765 11.920 12.278 1.00 1.15 H new ATOM 0 HG2 MET A 59 2.187 11.356 10.459 1.00 2.40 H new ATOM 0 HG3 MET A 59 0.623 11.726 9.761 1.00 2.40 H new ATOM 0 HE1 MET A 59 4.442 14.328 9.425 1.00 3.74 H new ATOM 0 HE2 MET A 59 3.426 14.508 10.876 1.00 3.74 H new ATOM 0 HE3 MET A 59 4.191 12.943 10.514 1.00 3.74 H new ATOM 918 N GLY A 60 -2.078 12.638 10.228 1.00 0.96 N ATOM 919 CA GLY A 60 -3.325 11.877 10.061 1.00 1.02 C ATOM 920 C GLY A 60 -3.340 10.979 8.829 1.00 0.93 C ATOM 921 O GLY A 60 -2.883 11.382 7.765 1.00 1.31 O ATOM 0 H GLY A 60 -1.695 12.985 9.349 1.00 0.96 H new ATOM 0 HA2 GLY A 60 -3.486 11.264 10.948 1.00 1.02 H new ATOM 0 HA3 GLY A 60 -4.160 12.575 10.000 1.00 1.02 H new ATOM 925 N MET A 61 -3.915 9.783 8.954 1.00 0.76 N ATOM 926 CA MET A 61 -4.205 8.895 7.820 1.00 0.64 C ATOM 927 C MET A 61 -5.595 9.176 7.238 1.00 0.66 C ATOM 928 O MET A 61 -6.416 9.852 7.865 1.00 0.94 O ATOM 929 CB MET A 61 -4.056 7.419 8.226 1.00 0.71 C ATOM 930 CG MET A 61 -2.591 7.014 8.404 1.00 1.00 C ATOM 931 SD MET A 61 -1.767 7.558 9.923 1.00 1.64 S ATOM 932 CE MET A 61 -0.206 6.673 9.692 1.00 1.73 C ATOM 0 H MET A 61 -4.197 9.396 9.854 1.00 0.76 H new ATOM 0 HA MET A 61 -3.474 9.100 7.037 1.00 0.64 H new ATOM 0 HB2 MET A 61 -4.595 7.244 9.157 1.00 0.71 H new ATOM 0 HB3 MET A 61 -4.516 6.787 7.467 1.00 0.71 H new ATOM 0 HG2 MET A 61 -2.532 5.927 8.357 1.00 1.00 H new ATOM 0 HG3 MET A 61 -2.027 7.401 7.555 1.00 1.00 H new ATOM 0 HE1 MET A 61 0.476 6.919 10.506 1.00 1.73 H new ATOM 0 HE2 MET A 61 -0.394 5.599 9.687 1.00 1.73 H new ATOM 0 HE3 MET A 61 0.242 6.967 8.743 1.00 1.73 H new ATOM 942 N ARG A 62 -5.868 8.662 6.033 1.00 0.53 N ATOM 943 CA ARG A 62 -7.118 8.904 5.288 1.00 0.56 C ATOM 944 C ARG A 62 -7.153 8.090 3.984 1.00 0.48 C ATOM 945 O ARG A 62 -6.137 8.119 3.293 1.00 0.51 O ATOM 946 CB ARG A 62 -7.191 10.399 4.915 1.00 0.84 C ATOM 947 CG ARG A 62 -8.569 11.029 5.153 1.00 1.39 C ATOM 948 CD ARG A 62 -8.602 12.487 4.655 1.00 1.60 C ATOM 949 NE ARG A 62 -8.169 12.592 3.251 1.00 2.45 N ATOM 950 CZ ARG A 62 -8.755 12.037 2.204 1.00 3.20 C ATOM 951 NH1 ARG A 62 -9.990 11.580 2.224 1.00 3.57 N ATOM 952 NH2 ARG A 62 -8.039 11.883 1.122 1.00 4.47 N ATOM 0 H ARG A 62 -5.217 8.054 5.536 1.00 0.53 H new ATOM 0 HA ARG A 62 -7.956 8.607 5.919 1.00 0.56 H new ATOM 0 HB2 ARG A 62 -6.447 10.945 5.495 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -6.925 10.515 3.864 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -9.333 10.447 4.637 1.00 1.39 H new ATOM 0 HG3 ARG A 62 -8.808 10.998 6.216 1.00 1.39 H new ATOM 0 HD2 ARG A 62 -9.613 12.883 4.755 1.00 1.60 H new ATOM 0 HD3 ARG A 62 -7.956 13.101 5.282 1.00 1.60 H new ATOM 0 HE ARG A 62 -7.334 13.148 3.068 1.00 2.45 H new ATOM 0 HH11 ARG A 62 -10.544 11.645 3.078 1.00 3.57 H new ATOM 0 HH12 ARG A 62 -10.392 11.161 1.386 1.00 3.57 H new ATOM 0 HH21 ARG A 62 -7.065 12.187 1.107 1.00 4.47 H new ATOM 0 HH22 ARG A 62 -8.454 11.459 0.292 1.00 4.47 H new ATOM 966 N PRO A 63 -8.257 7.453 3.553 1.00 0.48 N ATOM 967 CA PRO A 63 -8.327 6.869 2.215 1.00 0.45 C ATOM 968 C PRO A 63 -8.375 7.951 1.128 1.00 0.46 C ATOM 969 O PRO A 63 -9.077 8.952 1.272 1.00 0.57 O ATOM 970 CB PRO A 63 -9.551 5.957 2.189 1.00 0.48 C ATOM 971 CG PRO A 63 -10.428 6.520 3.297 1.00 0.61 C ATOM 972 CD PRO A 63 -9.475 7.182 4.297 1.00 0.52 C ATOM 0 HA PRO A 63 -7.430 6.289 1.998 1.00 0.45 H new ATOM 0 HB2 PRO A 63 -10.055 5.986 1.223 1.00 0.48 H new ATOM 0 HB3 PRO A 63 -9.283 4.917 2.377 1.00 0.48 H new ATOM 0 HG2 PRO A 63 -11.141 7.243 2.901 1.00 0.61 H new ATOM 0 HG3 PRO A 63 -11.007 5.730 3.775 1.00 0.61 H new ATOM 0 HD2 PRO A 63 -9.903 8.101 4.697 1.00 0.52 H new ATOM 0 HD3 PRO A 63 -9.279 6.526 5.145 1.00 0.52 H new ATOM 980 N VAL A 64 -7.646 7.724 0.034 1.00 0.43 N ATOM 981 CA VAL A 64 -7.578 8.592 -1.162 1.00 0.43 C ATOM 982 C VAL A 64 -8.211 7.903 -2.386 1.00 0.45 C ATOM 983 O VAL A 64 -8.257 6.673 -2.422 1.00 0.46 O ATOM 984 CB VAL A 64 -6.121 9.001 -1.512 1.00 0.44 C ATOM 985 CG1 VAL A 64 -5.706 10.225 -0.691 1.00 0.50 C ATOM 986 CG2 VAL A 64 -5.083 7.886 -1.335 1.00 0.46 C ATOM 0 H VAL A 64 -7.058 6.896 -0.055 1.00 0.43 H new ATOM 0 HA VAL A 64 -8.140 9.493 -0.915 1.00 0.43 H new ATOM 0 HB VAL A 64 -6.133 9.233 -2.577 1.00 0.44 H new ATOM 0 HG11 VAL A 64 -4.683 10.503 -0.944 1.00 0.50 H new ATOM 0 HG12 VAL A 64 -6.374 11.057 -0.915 1.00 0.50 H new ATOM 0 HG13 VAL A 64 -5.765 9.988 0.371 1.00 0.50 H new ATOM 0 HG21 VAL A 64 -4.096 8.262 -1.602 1.00 0.46 H new ATOM 0 HG22 VAL A 64 -5.077 7.556 -0.296 1.00 0.46 H new ATOM 0 HG23 VAL A 64 -5.338 7.046 -1.981 1.00 0.46 H new ATOM 996 N PRO A 65 -8.681 8.665 -3.398 1.00 0.49 N ATOM 997 CA PRO A 65 -9.275 8.102 -4.608 1.00 0.54 C ATOM 998 C PRO A 65 -8.248 7.414 -5.519 1.00 0.50 C ATOM 999 O PRO A 65 -8.659 6.633 -6.372 1.00 0.56 O ATOM 1000 CB PRO A 65 -9.946 9.282 -5.318 1.00 0.62 C ATOM 1001 CG PRO A 65 -9.086 10.472 -4.899 1.00 0.59 C ATOM 1002 CD PRO A 65 -8.717 10.124 -3.458 1.00 0.54 C ATOM 0 HA PRO A 65 -9.984 7.314 -4.354 1.00 0.54 H new ATOM 0 HB2 PRO A 65 -9.953 9.151 -6.400 1.00 0.62 H new ATOM 0 HB3 PRO A 65 -10.983 9.404 -5.005 1.00 0.62 H new ATOM 0 HG2 PRO A 65 -8.203 10.576 -5.530 1.00 0.59 H new ATOM 0 HG3 PRO A 65 -9.635 11.411 -4.961 1.00 0.59 H new ATOM 0 HD2 PRO A 65 -7.751 10.550 -3.188 1.00 0.54 H new ATOM 0 HD3 PRO A 65 -9.450 10.526 -2.759 1.00 0.54 H new ATOM 1010 N PHE A 66 -6.945 7.685 -5.337 1.00 0.46 N ATOM 1011 CA PHE A 66 -5.812 7.077 -6.045 1.00 0.43 C ATOM 1012 C PHE A 66 -4.468 7.605 -5.513 1.00 0.46 C ATOM 1013 O PHE A 66 -4.402 8.632 -4.834 1.00 0.52 O ATOM 1014 CB PHE A 66 -5.908 7.258 -7.577 1.00 0.45 C ATOM 1015 CG PHE A 66 -5.985 8.688 -8.076 1.00 0.52 C ATOM 1016 CD1 PHE A 66 -4.810 9.432 -8.295 1.00 1.54 C ATOM 1017 CD2 PHE A 66 -7.236 9.263 -8.365 1.00 1.75 C ATOM 1018 CE1 PHE A 66 -4.884 10.742 -8.799 1.00 1.61 C ATOM 1019 CE2 PHE A 66 -7.311 10.576 -8.864 1.00 1.78 C ATOM 1020 CZ PHE A 66 -6.136 11.317 -9.081 1.00 0.79 C ATOM 0 H PHE A 66 -6.639 8.375 -4.651 1.00 0.46 H new ATOM 0 HA PHE A 66 -5.860 6.007 -5.845 1.00 0.43 H new ATOM 0 HB2 PHE A 66 -5.041 6.781 -8.034 1.00 0.45 H new ATOM 0 HB3 PHE A 66 -6.789 6.723 -7.931 1.00 0.45 H new ATOM 0 HD1 PHE A 66 -3.848 8.994 -8.075 1.00 1.54 H new ATOM 0 HD2 PHE A 66 -8.140 8.695 -8.203 1.00 1.75 H new ATOM 0 HE1 PHE A 66 -3.979 11.307 -8.970 1.00 1.61 H new ATOM 0 HE2 PHE A 66 -8.273 11.016 -9.081 1.00 1.78 H new ATOM 0 HZ PHE A 66 -6.195 12.325 -9.463 1.00 0.79 H new ATOM 1030 N LEU A 67 -3.395 6.905 -5.883 1.00 0.46 N ATOM 1031 CA LEU A 67 -2.024 7.414 -5.970 1.00 0.46 C ATOM 1032 C LEU A 67 -1.583 7.442 -7.441 1.00 0.45 C ATOM 1033 O LEU A 67 -2.262 6.886 -8.304 1.00 0.46 O ATOM 1034 CB LEU A 67 -1.079 6.498 -5.161 1.00 0.49 C ATOM 1035 CG LEU A 67 -0.654 7.044 -3.788 1.00 0.57 C ATOM 1036 CD1 LEU A 67 0.347 6.040 -3.202 1.00 0.97 C ATOM 1037 CD2 LEU A 67 0.047 8.412 -3.857 1.00 0.80 C ATOM 0 H LEU A 67 -3.460 5.921 -6.143 1.00 0.46 H new ATOM 0 HA LEU A 67 -1.984 8.423 -5.560 1.00 0.46 H new ATOM 0 HB2 LEU A 67 -1.569 5.535 -5.015 1.00 0.49 H new ATOM 0 HB3 LEU A 67 -0.183 6.313 -5.754 1.00 0.49 H new ATOM 0 HG LEU A 67 -1.554 7.174 -3.187 1.00 0.57 H new ATOM 0 HD11 LEU A 67 0.679 6.386 -2.223 1.00 0.97 H new ATOM 0 HD12 LEU A 67 -0.132 5.066 -3.099 1.00 0.97 H new ATOM 0 HD13 LEU A 67 1.207 5.953 -3.867 1.00 0.97 H new ATOM 0 HD21 LEU A 67 0.318 8.733 -2.851 1.00 0.80 H new ATOM 0 HD22 LEU A 67 0.947 8.329 -4.466 1.00 0.80 H new ATOM 0 HD23 LEU A 67 -0.627 9.144 -4.303 1.00 0.80 H new ATOM 1049 N GLU A 68 -0.407 8.001 -7.735 1.00 0.49 N ATOM 1050 CA GLU A 68 0.183 7.898 -9.069 1.00 0.54 C ATOM 1051 C GLU A 68 1.710 7.990 -9.058 1.00 0.62 C ATOM 1052 O GLU A 68 2.309 8.386 -8.059 1.00 0.66 O ATOM 1053 CB GLU A 68 -0.498 8.860 -10.060 1.00 0.63 C ATOM 1054 CG GLU A 68 -0.015 10.304 -10.086 1.00 0.82 C ATOM 1055 CD GLU A 68 -0.816 10.994 -11.188 1.00 1.07 C ATOM 1056 OE1 GLU A 68 -1.994 11.333 -10.945 1.00 1.57 O ATOM 1057 OE2 GLU A 68 -0.364 11.022 -12.352 1.00 2.15 O ATOM 0 H GLU A 68 0.154 8.529 -7.067 1.00 0.49 H new ATOM 0 HA GLU A 68 -0.020 6.892 -9.436 1.00 0.54 H new ATOM 0 HB2 GLU A 68 -0.380 8.448 -11.062 1.00 0.63 H new ATOM 0 HB3 GLU A 68 -1.566 8.867 -9.842 1.00 0.63 H new ATOM 0 HG2 GLU A 68 -0.179 10.788 -9.123 1.00 0.82 H new ATOM 0 HG3 GLU A 68 1.054 10.354 -10.291 1.00 0.82 H new ATOM 1064 N VAL A 69 2.318 7.582 -10.172 1.00 0.69 N ATOM 1065 CA VAL A 69 3.764 7.453 -10.367 1.00 0.73 C ATOM 1066 C VAL A 69 4.126 7.952 -11.773 1.00 0.72 C ATOM 1067 O VAL A 69 3.508 7.499 -12.742 1.00 0.73 O ATOM 1068 CB VAL A 69 4.220 5.979 -10.207 1.00 0.79 C ATOM 1069 CG1 VAL A 69 5.748 5.821 -10.341 1.00 0.98 C ATOM 1070 CG2 VAL A 69 3.816 5.382 -8.850 1.00 0.77 C ATOM 0 H VAL A 69 1.790 7.319 -11.004 1.00 0.69 H new ATOM 0 HA VAL A 69 4.273 8.051 -9.611 1.00 0.73 H new ATOM 0 HB VAL A 69 3.716 5.445 -11.012 1.00 0.79 H new ATOM 0 HG11 VAL A 69 6.017 4.772 -10.221 1.00 0.98 H new ATOM 0 HG12 VAL A 69 6.065 6.167 -11.325 1.00 0.98 H new ATOM 0 HG13 VAL A 69 6.244 6.413 -9.571 1.00 0.98 H new ATOM 0 HG21 VAL A 69 4.159 4.349 -8.790 1.00 0.77 H new ATOM 0 HG22 VAL A 69 4.271 5.963 -8.047 1.00 0.77 H new ATOM 0 HG23 VAL A 69 2.731 5.410 -8.749 1.00 0.77 H new ATOM 1080 N PRO A 70 5.115 8.854 -11.927 1.00 0.73 N ATOM 1081 CA PRO A 70 5.520 9.363 -13.231 1.00 0.76 C ATOM 1082 C PRO A 70 6.284 8.302 -14.045 1.00 0.77 C ATOM 1083 O PRO A 70 6.779 7.331 -13.471 1.00 0.76 O ATOM 1084 CB PRO A 70 6.392 10.585 -12.936 1.00 0.81 C ATOM 1085 CG PRO A 70 7.020 10.247 -11.585 1.00 0.79 C ATOM 1086 CD PRO A 70 5.903 9.483 -10.873 1.00 0.76 C ATOM 0 HA PRO A 70 4.657 9.625 -13.843 1.00 0.76 H new ATOM 0 HB2 PRO A 70 7.149 10.735 -13.706 1.00 0.81 H new ATOM 0 HB3 PRO A 70 5.801 11.500 -12.888 1.00 0.81 H new ATOM 0 HG2 PRO A 70 7.918 9.639 -11.697 1.00 0.79 H new ATOM 0 HG3 PRO A 70 7.309 11.144 -11.038 1.00 0.79 H new ATOM 0 HD2 PRO A 70 6.313 8.736 -10.193 1.00 0.76 H new ATOM 0 HD3 PRO A 70 5.289 10.156 -10.275 1.00 0.76 H new ATOM 1094 N PRO A 71 6.401 8.475 -15.374 1.00 0.87 N ATOM 1095 CA PRO A 71 7.123 7.560 -16.250 1.00 0.99 C ATOM 1096 C PRO A 71 8.598 7.437 -15.872 1.00 1.04 C ATOM 1097 O PRO A 71 9.247 8.434 -15.559 1.00 1.06 O ATOM 1098 CB PRO A 71 6.890 8.063 -17.671 1.00 1.14 C ATOM 1099 CG PRO A 71 6.424 9.507 -17.524 1.00 1.11 C ATOM 1100 CD PRO A 71 5.803 9.559 -16.135 1.00 0.95 C ATOM 0 HA PRO A 71 6.753 6.539 -16.153 1.00 0.99 H new ATOM 0 HB2 PRO A 71 7.804 8.004 -18.262 1.00 1.14 H new ATOM 0 HB3 PRO A 71 6.140 7.459 -18.182 1.00 1.14 H new ATOM 0 HG2 PRO A 71 7.256 10.205 -17.615 1.00 1.11 H new ATOM 0 HG3 PRO A 71 5.700 9.772 -18.294 1.00 1.11 H new ATOM 0 HD2 PRO A 71 5.997 10.520 -15.659 1.00 0.95 H new ATOM 0 HD3 PRO A 71 4.721 9.443 -16.190 1.00 0.95 H new ATOM 1108 N LYS A 72 9.102 6.192 -15.864 1.00 1.12 N ATOM 1109 CA LYS A 72 10.486 5.810 -15.512 1.00 1.25 C ATOM 1110 C LYS A 72 10.832 6.018 -14.025 1.00 1.21 C ATOM 1111 O LYS A 72 11.959 5.760 -13.602 1.00 1.38 O ATOM 1112 CB LYS A 72 11.499 6.514 -16.430 1.00 1.42 C ATOM 1113 CG LYS A 72 11.094 6.540 -17.908 1.00 1.76 C ATOM 1114 CD LYS A 72 10.918 5.152 -18.543 1.00 1.72 C ATOM 1115 CE LYS A 72 10.302 5.330 -19.930 1.00 2.15 C ATOM 1116 NZ LYS A 72 10.082 4.046 -20.631 1.00 2.24 N ATOM 0 H LYS A 72 8.532 5.384 -16.114 1.00 1.12 H new ATOM 0 HA LYS A 72 10.553 4.735 -15.676 1.00 1.25 H new ATOM 0 HB2 LYS A 72 11.635 7.539 -16.084 1.00 1.42 H new ATOM 0 HB3 LYS A 72 12.464 6.015 -16.338 1.00 1.42 H new ATOM 0 HG2 LYS A 72 10.159 7.092 -18.006 1.00 1.76 H new ATOM 0 HG3 LYS A 72 11.849 7.090 -18.469 1.00 1.76 H new ATOM 0 HD2 LYS A 72 11.880 4.645 -18.618 1.00 1.72 H new ATOM 0 HD3 LYS A 72 10.276 4.529 -17.920 1.00 1.72 H new ATOM 0 HE2 LYS A 72 9.351 5.854 -19.835 1.00 2.15 H new ATOM 0 HE3 LYS A 72 10.955 5.961 -20.534 1.00 2.15 H new ATOM 0 HZ1 LYS A 72 9.189 4.089 -21.162 1.00 2.24 H new ATOM 0 HZ2 LYS A 72 10.868 3.871 -21.290 1.00 2.24 H new ATOM 0 HZ3 LYS A 72 10.035 3.274 -19.935 1.00 2.24 H new ATOM 1130 N GLY A 73 9.863 6.487 -13.238 1.00 1.06 N ATOM 1131 CA GLY A 73 9.951 6.695 -11.805 1.00 1.07 C ATOM 1132 C GLY A 73 9.536 5.445 -11.046 1.00 1.07 C ATOM 1133 O GLY A 73 9.191 4.410 -11.618 1.00 1.45 O ATOM 0 H GLY A 73 8.949 6.744 -13.610 1.00 1.06 H new ATOM 0 HA2 GLY A 73 10.972 6.966 -11.535 1.00 1.07 H new ATOM 0 HA3 GLY A 73 9.312 7.529 -11.515 1.00 1.07 H new ATOM 1137 N ARG A 74 9.564 5.580 -9.729 1.00 1.26 N ATOM 1138 CA ARG A 74 9.196 4.536 -8.767 1.00 1.43 C ATOM 1139 C ARG A 74 8.863 5.105 -7.388 1.00 1.30 C ATOM 1140 O ARG A 74 9.255 6.231 -7.091 1.00 1.43 O ATOM 1141 CB ARG A 74 10.281 3.452 -8.681 1.00 1.82 C ATOM 1142 CG ARG A 74 11.502 3.710 -7.791 1.00 1.66 C ATOM 1143 CD ARG A 74 12.261 2.381 -7.767 1.00 1.96 C ATOM 1144 NE ARG A 74 13.630 2.512 -7.263 1.00 2.46 N ATOM 1145 CZ ARG A 74 14.585 1.622 -7.503 1.00 3.29 C ATOM 1146 NH1 ARG A 74 14.361 0.507 -8.162 1.00 3.61 N ATOM 1147 NH2 ARG A 74 15.811 1.853 -7.086 1.00 4.62 N ATOM 0 H ARG A 74 9.853 6.448 -9.278 1.00 1.26 H new ATOM 0 HA ARG A 74 8.284 4.069 -9.140 1.00 1.43 H new ATOM 0 HB2 ARG A 74 9.806 2.534 -8.335 1.00 1.82 H new ATOM 0 HB3 ARG A 74 10.642 3.263 -9.692 1.00 1.82 H new ATOM 0 HG2 ARG A 74 12.122 4.511 -8.193 1.00 1.66 H new ATOM 0 HG3 ARG A 74 11.202 4.012 -6.787 1.00 1.66 H new ATOM 0 HD2 ARG A 74 11.717 1.670 -7.145 1.00 1.96 H new ATOM 0 HD3 ARG A 74 12.289 1.967 -8.775 1.00 1.96 H new ATOM 0 HE ARG A 74 13.861 3.329 -6.698 1.00 2.46 H new ATOM 0 HH11 ARG A 74 13.425 0.300 -8.510 1.00 3.61 H new ATOM 0 HH12 ARG A 74 15.123 -0.151 -8.325 1.00 3.61 H new ATOM 0 HH21 ARG A 74 16.024 2.713 -6.581 1.00 4.62 H new ATOM 0 HH22 ARG A 74 16.548 1.172 -7.268 1.00 4.62 H new ATOM 1161 N VAL A 75 8.206 4.309 -6.547 1.00 1.17 N ATOM 1162 CA VAL A 75 7.879 4.631 -5.150 1.00 1.21 C ATOM 1163 C VAL A 75 7.993 3.392 -4.257 1.00 1.27 C ATOM 1164 O VAL A 75 7.797 2.270 -4.721 1.00 1.44 O ATOM 1165 CB VAL A 75 6.455 5.225 -5.002 1.00 1.48 C ATOM 1166 CG1 VAL A 75 6.330 6.598 -5.682 1.00 1.68 C ATOM 1167 CG2 VAL A 75 5.348 4.291 -5.532 1.00 1.64 C ATOM 0 H VAL A 75 7.872 3.386 -6.825 1.00 1.17 H new ATOM 0 HA VAL A 75 8.603 5.382 -4.834 1.00 1.21 H new ATOM 0 HB VAL A 75 6.309 5.342 -3.928 1.00 1.48 H new ATOM 0 HG11 VAL A 75 5.316 6.977 -5.553 1.00 1.68 H new ATOM 0 HG12 VAL A 75 7.037 7.294 -5.230 1.00 1.68 H new ATOM 0 HG13 VAL A 75 6.548 6.499 -6.745 1.00 1.68 H new ATOM 0 HG21 VAL A 75 4.376 4.766 -5.399 1.00 1.64 H new ATOM 0 HG22 VAL A 75 5.514 4.095 -6.591 1.00 1.64 H new ATOM 0 HG23 VAL A 75 5.371 3.351 -4.981 1.00 1.64 H new ATOM 1177 N GLU A 76 8.249 3.603 -2.967 1.00 1.38 N ATOM 1178 CA GLU A 76 8.080 2.606 -1.913 1.00 1.42 C ATOM 1179 C GLU A 76 7.000 3.082 -0.926 1.00 1.37 C ATOM 1180 O GLU A 76 7.063 4.172 -0.349 1.00 1.49 O ATOM 1181 CB GLU A 76 9.417 2.250 -1.224 1.00 1.84 C ATOM 1182 CG GLU A 76 10.624 3.176 -1.475 1.00 1.92 C ATOM 1183 CD GLU A 76 10.406 4.560 -0.875 1.00 2.19 C ATOM 1184 OE1 GLU A 76 10.739 4.749 0.312 1.00 2.81 O ATOM 1185 OE2 GLU A 76 9.790 5.433 -1.529 1.00 3.36 O ATOM 0 H GLU A 76 8.590 4.498 -2.617 1.00 1.38 H new ATOM 0 HA GLU A 76 7.738 1.673 -2.361 1.00 1.42 H new ATOM 0 HB2 GLU A 76 9.241 2.214 -0.149 1.00 1.84 H new ATOM 0 HB3 GLU A 76 9.697 1.243 -1.535 1.00 1.84 H new ATOM 0 HG2 GLU A 76 11.521 2.730 -1.045 1.00 1.92 H new ATOM 0 HG3 GLU A 76 10.796 3.267 -2.547 1.00 1.92 H new ATOM 1192 N LEU A 77 5.966 2.262 -0.732 1.00 1.22 N ATOM 1193 CA LEU A 77 4.912 2.543 0.239 1.00 1.09 C ATOM 1194 C LEU A 77 5.440 2.298 1.659 1.00 1.11 C ATOM 1195 O LEU A 77 6.286 1.439 1.909 1.00 1.72 O ATOM 1196 CB LEU A 77 3.620 1.774 -0.108 1.00 0.89 C ATOM 1197 CG LEU A 77 2.737 2.520 -1.141 1.00 0.80 C ATOM 1198 CD1 LEU A 77 3.316 2.484 -2.565 1.00 0.76 C ATOM 1199 CD2 LEU A 77 1.300 1.976 -1.147 1.00 0.75 C ATOM 0 H LEU A 77 5.837 1.388 -1.242 1.00 1.22 H new ATOM 0 HA LEU A 77 4.629 3.595 0.195 1.00 1.09 H new ATOM 0 HB2 LEU A 77 3.882 0.792 -0.502 1.00 0.89 H new ATOM 0 HB3 LEU A 77 3.045 1.609 0.803 1.00 0.89 H new ATOM 0 HG LEU A 77 2.724 3.562 -0.821 1.00 0.80 H new ATOM 0 HD11 LEU A 77 2.652 3.023 -3.241 1.00 0.76 H new ATOM 0 HD12 LEU A 77 4.299 2.954 -2.570 1.00 0.76 H new ATOM 0 HD13 LEU A 77 3.407 1.449 -2.895 1.00 0.76 H new ATOM 0 HD21 LEU A 77 0.708 2.521 -1.882 1.00 0.75 H new ATOM 0 HD22 LEU A 77 1.313 0.917 -1.404 1.00 0.75 H new ATOM 0 HD23 LEU A 77 0.858 2.104 -0.159 1.00 0.75 H new ATOM 1211 N LYS A 78 4.950 3.103 2.609 1.00 1.20 N ATOM 1212 CA LYS A 78 5.558 3.271 3.930 1.00 1.14 C ATOM 1213 C LYS A 78 4.523 3.700 5.004 1.00 1.01 C ATOM 1214 O LYS A 78 3.525 4.343 4.661 1.00 1.12 O ATOM 1215 CB LYS A 78 6.757 4.245 3.793 1.00 1.20 C ATOM 1216 CG LYS A 78 6.411 5.583 3.105 1.00 1.20 C ATOM 1217 CD LYS A 78 7.571 6.594 3.110 1.00 1.36 C ATOM 1218 CE LYS A 78 8.780 6.185 2.253 1.00 1.92 C ATOM 1219 NZ LYS A 78 8.504 6.223 0.799 1.00 3.13 N ATOM 0 H LYS A 78 4.108 3.663 2.478 1.00 1.20 H new ATOM 0 HA LYS A 78 5.933 2.314 4.292 1.00 1.14 H new ATOM 0 HB2 LYS A 78 7.157 4.453 4.785 1.00 1.20 H new ATOM 0 HB3 LYS A 78 7.548 3.752 3.227 1.00 1.20 H new ATOM 0 HG2 LYS A 78 6.115 5.387 2.074 1.00 1.20 H new ATOM 0 HG3 LYS A 78 5.550 6.027 3.605 1.00 1.20 H new ATOM 0 HD2 LYS A 78 7.199 7.555 2.755 1.00 1.36 H new ATOM 0 HD3 LYS A 78 7.904 6.740 4.138 1.00 1.36 H new ATOM 0 HE2 LYS A 78 9.616 6.849 2.475 1.00 1.92 H new ATOM 0 HE3 LYS A 78 9.090 5.178 2.531 1.00 1.92 H new ATOM 0 HZ1 LYS A 78 9.385 6.053 0.274 1.00 3.13 H new ATOM 0 HZ2 LYS A 78 7.810 5.487 0.558 1.00 3.13 H new ATOM 0 HZ3 LYS A 78 8.122 7.156 0.542 1.00 3.13 H new ATOM 1233 N PRO A 79 4.732 3.341 6.294 1.00 0.92 N ATOM 1234 CA PRO A 79 3.777 3.601 7.378 1.00 0.89 C ATOM 1235 C PRO A 79 3.528 5.097 7.584 1.00 0.82 C ATOM 1236 O PRO A 79 2.376 5.518 7.539 1.00 0.85 O ATOM 1237 CB PRO A 79 4.348 2.916 8.628 1.00 0.92 C ATOM 1238 CG PRO A 79 5.831 2.729 8.316 1.00 0.94 C ATOM 1239 CD PRO A 79 5.847 2.551 6.801 1.00 0.94 C ATOM 0 HA PRO A 79 2.794 3.196 7.138 1.00 0.89 H new ATOM 0 HB2 PRO A 79 4.204 3.529 9.518 1.00 0.92 H new ATOM 0 HB3 PRO A 79 3.858 1.961 8.816 1.00 0.92 H new ATOM 0 HG2 PRO A 79 6.420 3.592 8.627 1.00 0.94 H new ATOM 0 HG3 PRO A 79 6.244 1.860 8.828 1.00 0.94 H new ATOM 0 HD2 PRO A 79 6.792 2.892 6.378 1.00 0.94 H new ATOM 0 HD3 PRO A 79 5.737 1.501 6.530 1.00 0.94 H new ATOM 1247 N GLY A 80 4.586 5.906 7.718 1.00 0.90 N ATOM 1248 CA GLY A 80 4.498 7.357 7.545 1.00 0.90 C ATOM 1249 C GLY A 80 4.593 7.688 6.061 1.00 0.94 C ATOM 1250 O GLY A 80 5.699 7.850 5.548 1.00 1.30 O ATOM 0 H GLY A 80 5.522 5.573 7.948 1.00 0.90 H new ATOM 0 HA2 GLY A 80 3.558 7.728 7.954 1.00 0.90 H new ATOM 0 HA3 GLY A 80 5.301 7.851 8.093 1.00 0.90 H new ATOM 1254 N GLY A 81 3.449 7.747 5.373 1.00 0.79 N ATOM 1255 CA GLY A 81 3.379 8.023 3.934 1.00 0.77 C ATOM 1256 C GLY A 81 2.095 7.550 3.274 1.00 0.68 C ATOM 1257 O GLY A 81 1.143 8.307 3.140 1.00 0.76 O ATOM 0 H GLY A 81 2.536 7.603 5.803 1.00 0.79 H new ATOM 0 HA2 GLY A 81 3.483 9.096 3.775 1.00 0.77 H new ATOM 0 HA3 GLY A 81 4.226 7.545 3.441 1.00 0.77 H new ATOM 1261 N TYR A 82 2.112 6.313 2.790 1.00 0.60 N ATOM 1262 CA TYR A 82 1.073 5.721 1.944 1.00 0.52 C ATOM 1263 C TYR A 82 1.051 4.208 2.115 1.00 0.57 C ATOM 1264 O TYR A 82 2.104 3.572 2.189 1.00 0.68 O ATOM 1265 CB TYR A 82 1.316 6.048 0.465 1.00 0.52 C ATOM 1266 CG TYR A 82 1.419 7.525 0.164 1.00 0.53 C ATOM 1267 CD1 TYR A 82 0.251 8.300 0.031 1.00 1.60 C ATOM 1268 CD2 TYR A 82 2.685 8.132 0.090 1.00 1.79 C ATOM 1269 CE1 TYR A 82 0.345 9.694 -0.137 1.00 1.64 C ATOM 1270 CE2 TYR A 82 2.790 9.521 -0.087 1.00 1.82 C ATOM 1271 CZ TYR A 82 1.620 10.310 -0.189 1.00 0.69 C ATOM 1272 OH TYR A 82 1.736 11.659 -0.330 1.00 0.82 O ATOM 0 H TYR A 82 2.878 5.667 2.982 1.00 0.60 H new ATOM 0 HA TYR A 82 0.116 6.143 2.252 1.00 0.52 H new ATOM 0 HB2 TYR A 82 2.235 5.558 0.143 1.00 0.52 H new ATOM 0 HB3 TYR A 82 0.505 5.624 -0.127 1.00 0.52 H new ATOM 0 HD1 TYR A 82 -0.718 7.824 0.058 1.00 1.60 H new ATOM 0 HD2 TYR A 82 3.578 7.529 0.169 1.00 1.79 H new ATOM 0 HE1 TYR A 82 -0.550 10.291 -0.226 1.00 1.64 H new ATOM 0 HE2 TYR A 82 3.763 9.987 -0.145 1.00 1.82 H new ATOM 0 HH TYR A 82 2.684 11.906 -0.345 1.00 0.82 H new ATOM 1282 N HIS A 83 -0.137 3.621 2.149 1.00 0.53 N ATOM 1283 CA HIS A 83 -0.322 2.197 2.449 1.00 0.59 C ATOM 1284 C HIS A 83 -1.701 1.712 2.009 1.00 0.58 C ATOM 1285 O HIS A 83 -2.629 2.512 1.914 1.00 0.55 O ATOM 1286 CB HIS A 83 -0.067 1.930 3.942 1.00 0.66 C ATOM 1287 CG HIS A 83 -0.694 2.910 4.907 1.00 0.57 C ATOM 1288 ND1 HIS A 83 -0.069 4.035 5.415 1.00 0.88 N ATOM 1289 CD2 HIS A 83 -1.940 2.847 5.479 1.00 0.71 C ATOM 1290 CE1 HIS A 83 -0.924 4.645 6.246 1.00 1.02 C ATOM 1291 NE2 HIS A 83 -2.066 3.949 6.333 1.00 0.92 N ATOM 0 H HIS A 83 -1.009 4.118 1.969 1.00 0.53 H new ATOM 0 HA HIS A 83 0.409 1.624 1.878 1.00 0.59 H new ATOM 0 HB2 HIS A 83 -0.433 0.931 4.180 1.00 0.66 H new ATOM 0 HB3 HIS A 83 1.010 1.923 4.111 1.00 0.66 H new ATOM 0 HD2 HIS A 83 -2.686 2.087 5.303 1.00 0.71 H new ATOM 0 HE1 HIS A 83 -0.722 5.567 6.771 1.00 1.02 H new ATOM 0 HE2 HIS A 83 -2.874 4.179 6.912 1.00 0.92 H new ATOM 1299 N PHE A 84 -1.846 0.407 1.770 1.00 0.72 N ATOM 1300 CA PHE A 84 -3.152 -0.218 1.620 1.00 0.71 C ATOM 1301 C PHE A 84 -3.631 -0.696 2.980 1.00 0.70 C ATOM 1302 O PHE A 84 -3.068 -1.642 3.531 1.00 0.95 O ATOM 1303 CB PHE A 84 -3.055 -1.410 0.672 1.00 0.78 C ATOM 1304 CG PHE A 84 -2.774 -1.039 -0.762 1.00 0.73 C ATOM 1305 CD1 PHE A 84 -3.781 -0.415 -1.516 1.00 2.07 C ATOM 1306 CD2 PHE A 84 -1.524 -1.321 -1.345 1.00 1.86 C ATOM 1307 CE1 PHE A 84 -3.556 -0.128 -2.868 1.00 2.06 C ATOM 1308 CE2 PHE A 84 -1.289 -0.989 -2.691 1.00 1.86 C ATOM 1309 CZ PHE A 84 -2.307 -0.390 -3.451 1.00 0.72 C ATOM 0 H PHE A 84 -1.063 -0.239 1.676 1.00 0.72 H new ATOM 0 HA PHE A 84 -3.855 0.507 1.210 1.00 0.71 H new ATOM 0 HB2 PHE A 84 -2.268 -2.076 1.024 1.00 0.78 H new ATOM 0 HB3 PHE A 84 -3.989 -1.970 0.714 1.00 0.78 H new ATOM 0 HD1 PHE A 84 -4.724 -0.158 -1.056 1.00 2.07 H new ATOM 0 HD2 PHE A 84 -0.747 -1.791 -0.760 1.00 1.86 H new ATOM 0 HE1 PHE A 84 -4.349 0.298 -3.466 1.00 2.06 H new ATOM 0 HE2 PHE A 84 -0.328 -1.194 -3.139 1.00 1.86 H new ATOM 0 HZ PHE A 84 -2.128 -0.131 -4.484 1.00 0.72 H new ATOM 1319 N MET A 85 -4.683 -0.085 3.501 1.00 0.53 N ATOM 1320 CA MET A 85 -5.412 -0.605 4.647 1.00 0.53 C ATOM 1321 C MET A 85 -6.151 -1.877 4.216 1.00 0.49 C ATOM 1322 O MET A 85 -6.883 -1.871 3.223 1.00 0.56 O ATOM 1323 CB MET A 85 -6.349 0.481 5.202 1.00 0.60 C ATOM 1324 CG MET A 85 -6.214 0.648 6.718 1.00 0.74 C ATOM 1325 SD MET A 85 -4.870 1.701 7.313 1.00 1.78 S ATOM 1326 CE MET A 85 -3.527 0.504 7.460 1.00 0.99 C ATOM 0 H MET A 85 -5.058 0.792 3.138 1.00 0.53 H new ATOM 0 HA MET A 85 -4.736 -0.873 5.459 1.00 0.53 H new ATOM 0 HB2 MET A 85 -6.130 1.430 4.714 1.00 0.60 H new ATOM 0 HB3 MET A 85 -7.380 0.227 4.957 1.00 0.60 H new ATOM 0 HG2 MET A 85 -7.153 1.050 7.099 1.00 0.74 H new ATOM 0 HG3 MET A 85 -6.089 -0.341 7.158 1.00 0.74 H new ATOM 0 HE1 MET A 85 -2.715 0.938 8.043 1.00 0.99 H new ATOM 0 HE2 MET A 85 -3.892 -0.393 7.959 1.00 0.99 H new ATOM 0 HE3 MET A 85 -3.162 0.243 6.467 1.00 0.99 H new ATOM 1336 N LEU A 86 -5.922 -2.973 4.939 1.00 0.47 N ATOM 1337 CA LEU A 86 -6.586 -4.253 4.724 1.00 0.46 C ATOM 1338 C LEU A 86 -7.655 -4.411 5.803 1.00 0.53 C ATOM 1339 O LEU A 86 -7.319 -4.448 6.985 1.00 0.67 O ATOM 1340 CB LEU A 86 -5.559 -5.399 4.791 1.00 0.50 C ATOM 1341 CG LEU A 86 -4.360 -5.310 3.827 1.00 0.64 C ATOM 1342 CD1 LEU A 86 -3.529 -6.594 3.979 1.00 1.57 C ATOM 1343 CD2 LEU A 86 -4.779 -5.114 2.362 1.00 1.11 C ATOM 0 H LEU A 86 -5.253 -2.993 5.709 1.00 0.47 H new ATOM 0 HA LEU A 86 -7.050 -4.286 3.738 1.00 0.46 H new ATOM 0 HB2 LEU A 86 -5.174 -5.452 5.809 1.00 0.50 H new ATOM 0 HB3 LEU A 86 -6.082 -6.336 4.599 1.00 0.50 H new ATOM 0 HG LEU A 86 -3.774 -4.430 4.090 1.00 0.64 H new ATOM 0 HD11 LEU A 86 -2.673 -6.555 3.306 1.00 1.57 H new ATOM 0 HD12 LEU A 86 -3.178 -6.681 5.007 1.00 1.57 H new ATOM 0 HD13 LEU A 86 -4.146 -7.458 3.732 1.00 1.57 H new ATOM 0 HD21 LEU A 86 -3.890 -5.059 1.734 1.00 1.11 H new ATOM 0 HD22 LEU A 86 -5.396 -5.954 2.045 1.00 1.11 H new ATOM 0 HD23 LEU A 86 -5.348 -4.189 2.267 1.00 1.11 H new ATOM 1355 N LEU A 87 -8.926 -4.485 5.406 1.00 0.66 N ATOM 1356 CA LEU A 87 -10.081 -4.590 6.302 1.00 0.79 C ATOM 1357 C LEU A 87 -10.742 -5.958 6.074 1.00 0.81 C ATOM 1358 O LEU A 87 -11.335 -6.195 5.020 1.00 1.09 O ATOM 1359 CB LEU A 87 -11.078 -3.446 6.000 1.00 0.86 C ATOM 1360 CG LEU A 87 -10.740 -2.000 6.425 1.00 1.36 C ATOM 1361 CD1 LEU A 87 -10.675 -1.837 7.947 1.00 1.30 C ATOM 1362 CD2 LEU A 87 -9.443 -1.458 5.816 1.00 3.17 C ATOM 0 H LEU A 87 -9.190 -4.473 4.421 1.00 0.66 H new ATOM 0 HA LEU A 87 -9.769 -4.503 7.343 1.00 0.79 H new ATOM 0 HB2 LEU A 87 -11.246 -3.437 4.923 1.00 0.86 H new ATOM 0 HB3 LEU A 87 -12.026 -3.709 6.469 1.00 0.86 H new ATOM 0 HG LEU A 87 -11.568 -1.412 6.029 1.00 1.36 H new ATOM 0 HD11 LEU A 87 -10.434 -0.803 8.192 1.00 1.30 H new ATOM 0 HD12 LEU A 87 -11.640 -2.098 8.382 1.00 1.30 H new ATOM 0 HD13 LEU A 87 -9.905 -2.494 8.351 1.00 1.30 H new ATOM 0 HD21 LEU A 87 -9.277 -0.438 6.163 1.00 3.17 H new ATOM 0 HD22 LEU A 87 -8.607 -2.087 6.122 1.00 3.17 H new ATOM 0 HD23 LEU A 87 -9.522 -1.463 4.729 1.00 3.17 H new ATOM 1374 N GLY A 88 -10.645 -6.856 7.061 1.00 0.78 N ATOM 1375 CA GLY A 88 -11.096 -8.251 6.960 1.00 0.88 C ATOM 1376 C GLY A 88 -10.018 -9.136 6.338 1.00 0.98 C ATOM 1377 O GLY A 88 -9.870 -9.165 5.116 1.00 1.59 O ATOM 0 H GLY A 88 -10.243 -6.630 7.971 1.00 0.78 H new ATOM 0 HA2 GLY A 88 -11.351 -8.626 7.951 1.00 0.88 H new ATOM 0 HA3 GLY A 88 -12.003 -8.300 6.357 1.00 0.88 H new ATOM 1381 N LEU A 89 -9.251 -9.852 7.167 1.00 0.72 N ATOM 1382 CA LEU A 89 -8.102 -10.656 6.724 1.00 0.74 C ATOM 1383 C LEU A 89 -8.504 -12.127 6.529 1.00 0.78 C ATOM 1384 O LEU A 89 -9.088 -12.748 7.414 1.00 0.87 O ATOM 1385 CB LEU A 89 -6.928 -10.506 7.717 1.00 0.84 C ATOM 1386 CG LEU A 89 -6.567 -9.054 8.102 1.00 0.73 C ATOM 1387 CD1 LEU A 89 -5.339 -9.033 9.022 1.00 0.98 C ATOM 1388 CD2 LEU A 89 -6.299 -8.147 6.889 1.00 0.91 C ATOM 0 H LEU A 89 -9.410 -9.891 8.174 1.00 0.72 H new ATOM 0 HA LEU A 89 -7.767 -10.285 5.755 1.00 0.74 H new ATOM 0 HB2 LEU A 89 -7.171 -11.055 8.627 1.00 0.84 H new ATOM 0 HB3 LEU A 89 -6.046 -10.979 7.285 1.00 0.84 H new ATOM 0 HG LEU A 89 -7.441 -8.657 8.619 1.00 0.73 H new ATOM 0 HD11 LEU A 89 -5.098 -8.003 9.284 1.00 0.98 H new ATOM 0 HD12 LEU A 89 -5.555 -9.597 9.929 1.00 0.98 H new ATOM 0 HD13 LEU A 89 -4.491 -9.484 8.507 1.00 0.98 H new ATOM 0 HD21 LEU A 89 -6.052 -7.143 7.233 1.00 0.91 H new ATOM 0 HD22 LEU A 89 -5.466 -8.548 6.312 1.00 0.91 H new ATOM 0 HD23 LEU A 89 -7.189 -8.106 6.261 1.00 0.91 H new ATOM 1400 N LYS A 90 -8.185 -12.701 5.365 1.00 0.89 N ATOM 1401 CA LYS A 90 -8.562 -14.082 5.005 1.00 0.94 C ATOM 1402 C LYS A 90 -7.662 -15.155 5.655 1.00 0.95 C ATOM 1403 O LYS A 90 -8.051 -16.320 5.731 1.00 0.98 O ATOM 1404 CB LYS A 90 -8.540 -14.232 3.473 1.00 1.18 C ATOM 1405 CG LYS A 90 -9.460 -13.282 2.685 1.00 0.96 C ATOM 1406 CD LYS A 90 -10.951 -13.628 2.775 1.00 1.58 C ATOM 1407 CE LYS A 90 -11.689 -12.784 1.728 1.00 1.40 C ATOM 1408 NZ LYS A 90 -13.139 -13.069 1.669 1.00 2.04 N ATOM 0 H LYS A 90 -7.654 -12.222 4.637 1.00 0.89 H new ATOM 0 HA LYS A 90 -9.566 -14.251 5.394 1.00 0.94 H new ATOM 0 HB2 LYS A 90 -7.517 -14.082 3.129 1.00 1.18 H new ATOM 0 HB3 LYS A 90 -8.813 -15.258 3.225 1.00 1.18 H new ATOM 0 HG2 LYS A 90 -9.312 -12.266 3.051 1.00 0.96 H new ATOM 0 HG3 LYS A 90 -9.160 -13.291 1.637 1.00 0.96 H new ATOM 0 HD2 LYS A 90 -11.109 -14.691 2.590 1.00 1.58 H new ATOM 0 HD3 LYS A 90 -11.333 -13.418 3.774 1.00 1.58 H new ATOM 0 HE2 LYS A 90 -11.541 -11.728 1.952 1.00 1.40 H new ATOM 0 HE3 LYS A 90 -11.249 -12.966 0.748 1.00 1.40 H new ATOM 0 HZ1 LYS A 90 -13.564 -12.545 0.878 1.00 2.04 H new ATOM 0 HZ2 LYS A 90 -13.287 -14.089 1.528 1.00 2.04 H new ATOM 0 HZ3 LYS A 90 -13.587 -12.774 2.560 1.00 2.04 H new ATOM 1422 N ARG A 91 -6.470 -14.767 6.120 1.00 1.08 N ATOM 1423 CA ARG A 91 -5.585 -15.557 6.984 1.00 1.16 C ATOM 1424 C ARG A 91 -5.148 -14.674 8.161 1.00 1.02 C ATOM 1425 O ARG A 91 -5.023 -13.463 7.966 1.00 1.02 O ATOM 1426 CB ARG A 91 -4.330 -16.018 6.209 1.00 1.52 C ATOM 1427 CG ARG A 91 -4.648 -17.101 5.170 1.00 1.73 C ATOM 1428 CD ARG A 91 -3.386 -17.653 4.486 1.00 1.98 C ATOM 1429 NE ARG A 91 -3.735 -18.782 3.597 1.00 2.52 N ATOM 1430 CZ ARG A 91 -2.953 -19.353 2.684 1.00 3.46 C ATOM 1431 NH1 ARG A 91 -1.721 -18.954 2.452 1.00 4.27 N ATOM 1432 NH2 ARG A 91 -3.422 -20.362 1.979 1.00 4.35 N ATOM 0 H ARG A 91 -6.078 -13.853 5.895 1.00 1.08 H new ATOM 0 HA ARG A 91 -6.120 -16.440 7.334 1.00 1.16 H new ATOM 0 HB2 ARG A 91 -3.880 -15.160 5.709 1.00 1.52 H new ATOM 0 HB3 ARG A 91 -3.591 -16.400 6.914 1.00 1.52 H new ATOM 0 HG2 ARG A 91 -5.181 -17.919 5.655 1.00 1.73 H new ATOM 0 HG3 ARG A 91 -5.316 -16.689 4.414 1.00 1.73 H new ATOM 0 HD2 ARG A 91 -2.902 -16.864 3.910 1.00 1.98 H new ATOM 0 HD3 ARG A 91 -2.671 -17.982 5.239 1.00 1.98 H new ATOM 0 HE ARG A 91 -4.676 -19.164 3.694 1.00 2.52 H new ATOM 0 HH11 ARG A 91 -1.328 -18.176 2.982 1.00 4.27 H new ATOM 0 HH12 ARG A 91 -1.158 -19.422 1.742 1.00 4.27 H new ATOM 0 HH21 ARG A 91 -4.373 -20.696 2.136 1.00 4.35 H new ATOM 0 HH22 ARG A 91 -2.834 -20.810 1.276 1.00 4.35 H new ATOM 1446 N PRO A 92 -4.855 -15.232 9.349 1.00 1.08 N ATOM 1447 CA PRO A 92 -3.973 -14.556 10.278 1.00 1.08 C ATOM 1448 C PRO A 92 -2.570 -14.603 9.678 1.00 1.10 C ATOM 1449 O PRO A 92 -2.034 -15.679 9.416 1.00 1.40 O ATOM 1450 CB PRO A 92 -4.071 -15.318 11.588 1.00 1.25 C ATOM 1451 CG PRO A 92 -4.415 -16.746 11.147 1.00 1.34 C ATOM 1452 CD PRO A 92 -5.163 -16.577 9.817 1.00 1.27 C ATOM 0 HA PRO A 92 -4.230 -13.512 10.458 1.00 1.08 H new ATOM 0 HB2 PRO A 92 -3.133 -15.284 12.143 1.00 1.25 H new ATOM 0 HB3 PRO A 92 -4.841 -14.902 12.238 1.00 1.25 H new ATOM 0 HG2 PRO A 92 -3.515 -17.348 11.021 1.00 1.34 H new ATOM 0 HG3 PRO A 92 -5.035 -17.250 11.888 1.00 1.34 H new ATOM 0 HD2 PRO A 92 -4.843 -17.325 9.092 1.00 1.27 H new ATOM 0 HD3 PRO A 92 -6.237 -16.706 9.954 1.00 1.27 H new ATOM 1460 N LEU A 93 -2.030 -13.416 9.418 1.00 1.11 N ATOM 1461 CA LEU A 93 -0.915 -13.179 8.496 1.00 1.26 C ATOM 1462 C LEU A 93 0.354 -13.898 8.955 1.00 1.41 C ATOM 1463 O LEU A 93 0.993 -13.514 9.937 1.00 1.71 O ATOM 1464 CB LEU A 93 -0.695 -11.655 8.353 1.00 1.30 C ATOM 1465 CG LEU A 93 -1.380 -10.976 7.149 1.00 1.37 C ATOM 1466 CD1 LEU A 93 -0.607 -11.257 5.856 1.00 1.89 C ATOM 1467 CD2 LEU A 93 -2.854 -11.362 6.971 1.00 1.97 C ATOM 0 H LEU A 93 -2.366 -12.559 9.858 1.00 1.11 H new ATOM 0 HA LEU A 93 -1.162 -13.592 7.518 1.00 1.26 H new ATOM 0 HB2 LEU A 93 -1.047 -11.171 9.264 1.00 1.30 H new ATOM 0 HB3 LEU A 93 0.377 -11.469 8.287 1.00 1.30 H new ATOM 0 HG LEU A 93 -1.365 -9.908 7.368 1.00 1.37 H new ATOM 0 HD11 LEU A 93 -1.107 -10.769 5.020 1.00 1.89 H new ATOM 0 HD12 LEU A 93 0.408 -10.870 5.947 1.00 1.89 H new ATOM 0 HD13 LEU A 93 -0.571 -12.332 5.680 1.00 1.89 H new ATOM 0 HD21 LEU A 93 -3.264 -10.844 6.104 1.00 1.97 H new ATOM 0 HD22 LEU A 93 -2.933 -12.439 6.820 1.00 1.97 H new ATOM 0 HD23 LEU A 93 -3.415 -11.078 7.862 1.00 1.97 H new ATOM 1479 N LYS A 94 0.748 -14.955 8.247 1.00 1.54 N ATOM 1480 CA LYS A 94 1.924 -15.721 8.592 1.00 1.81 C ATOM 1481 C LYS A 94 3.194 -15.027 8.091 1.00 1.81 C ATOM 1482 O LYS A 94 3.561 -15.143 6.924 1.00 2.22 O ATOM 1483 CB LYS A 94 1.751 -17.150 8.043 1.00 2.25 C ATOM 1484 CG LYS A 94 2.902 -18.119 8.336 1.00 2.53 C ATOM 1485 CD LYS A 94 3.108 -18.308 9.836 1.00 2.25 C ATOM 1486 CE LYS A 94 1.914 -19.015 10.488 1.00 3.02 C ATOM 1487 NZ LYS A 94 2.114 -19.182 11.946 1.00 4.66 N ATOM 0 H LYS A 94 0.256 -15.297 7.421 1.00 1.54 H new ATOM 0 HA LYS A 94 2.038 -15.786 9.674 1.00 1.81 H new ATOM 0 HB2 LYS A 94 0.834 -17.569 8.456 1.00 2.25 H new ATOM 0 HB3 LYS A 94 1.617 -17.091 6.963 1.00 2.25 H new ATOM 0 HG2 LYS A 94 2.694 -19.083 7.872 1.00 2.53 H new ATOM 0 HG3 LYS A 94 3.820 -17.741 7.887 1.00 2.53 H new ATOM 0 HD2 LYS A 94 4.014 -18.889 10.008 1.00 2.25 H new ATOM 0 HD3 LYS A 94 3.258 -17.337 10.308 1.00 2.25 H new ATOM 0 HE2 LYS A 94 1.006 -18.440 10.308 1.00 3.02 H new ATOM 0 HE3 LYS A 94 1.770 -19.991 10.025 1.00 3.02 H new ATOM 0 HZ1 LYS A 94 1.289 -19.663 12.357 1.00 4.66 H new ATOM 0 HZ2 LYS A 94 2.967 -19.752 12.116 1.00 4.66 H new ATOM 0 HZ3 LYS A 94 2.227 -18.248 12.390 1.00 4.66 H new ATOM 1501 N ALA A 95 3.949 -14.410 9.003 1.00 1.60 N ATOM 1502 CA ALA A 95 5.386 -14.243 8.795 1.00 1.45 C ATOM 1503 C ALA A 95 5.982 -15.635 8.494 1.00 1.27 C ATOM 1504 O ALA A 95 5.910 -16.525 9.346 1.00 1.31 O ATOM 1505 CB ALA A 95 5.996 -13.568 10.029 1.00 1.60 C ATOM 0 H ALA A 95 3.595 -14.024 9.878 1.00 1.60 H new ATOM 0 HA ALA A 95 5.610 -13.595 7.948 1.00 1.45 H new ATOM 0 HB1 ALA A 95 7.068 -13.440 9.881 1.00 1.60 H new ATOM 0 HB2 ALA A 95 5.531 -12.593 10.178 1.00 1.60 H new ATOM 0 HB3 ALA A 95 5.823 -14.190 10.907 1.00 1.60 H new ATOM 1511 N GLY A 96 6.444 -15.838 7.254 1.00 1.55 N ATOM 1512 CA GLY A 96 6.784 -17.155 6.699 1.00 1.86 C ATOM 1513 C GLY A 96 5.811 -17.723 5.650 1.00 1.91 C ATOM 1514 O GLY A 96 6.021 -18.862 5.246 1.00 2.36 O ATOM 0 H GLY A 96 6.595 -15.075 6.594 1.00 1.55 H new ATOM 0 HA2 GLY A 96 7.774 -17.091 6.248 1.00 1.86 H new ATOM 0 HA3 GLY A 96 6.853 -17.866 7.522 1.00 1.86 H new ATOM 1518 N GLU A 97 4.787 -16.986 5.195 1.00 1.64 N ATOM 1519 CA GLU A 97 4.081 -17.258 3.940 1.00 1.63 C ATOM 1520 C GLU A 97 4.368 -16.183 2.881 1.00 1.50 C ATOM 1521 O GLU A 97 4.959 -15.137 3.164 1.00 1.46 O ATOM 1522 CB GLU A 97 2.570 -17.488 4.163 1.00 1.84 C ATOM 1523 CG GLU A 97 1.646 -16.258 4.289 1.00 2.18 C ATOM 1524 CD GLU A 97 0.242 -16.629 4.800 1.00 2.36 C ATOM 1525 OE1 GLU A 97 -0.296 -17.682 4.384 1.00 3.03 O ATOM 1526 OE2 GLU A 97 -0.295 -15.896 5.662 1.00 2.94 O ATOM 0 H GLU A 97 4.424 -16.175 5.696 1.00 1.64 H new ATOM 0 HA GLU A 97 4.475 -18.194 3.544 1.00 1.63 H new ATOM 0 HB2 GLU A 97 2.202 -18.095 3.336 1.00 1.84 H new ATOM 0 HB3 GLU A 97 2.456 -18.082 5.070 1.00 1.84 H new ATOM 0 HG2 GLU A 97 2.098 -15.536 4.969 1.00 2.18 H new ATOM 0 HG3 GLU A 97 1.559 -15.771 3.318 1.00 2.18 H new ATOM 1533 N GLU A 98 3.946 -16.480 1.656 1.00 1.58 N ATOM 1534 CA GLU A 98 4.046 -15.608 0.485 1.00 1.58 C ATOM 1535 C GLU A 98 2.682 -14.980 0.200 1.00 1.35 C ATOM 1536 O GLU A 98 1.661 -15.660 0.305 1.00 1.47 O ATOM 1537 CB GLU A 98 4.457 -16.426 -0.745 1.00 1.97 C ATOM 1538 CG GLU A 98 5.830 -17.081 -0.613 1.00 2.42 C ATOM 1539 CD GLU A 98 6.066 -17.934 -1.851 1.00 3.38 C ATOM 1540 OE1 GLU A 98 6.537 -17.352 -2.852 1.00 3.63 O ATOM 1541 OE2 GLU A 98 5.710 -19.130 -1.792 1.00 4.68 O ATOM 0 H GLU A 98 3.505 -17.374 1.440 1.00 1.58 H new ATOM 0 HA GLU A 98 4.789 -14.837 0.687 1.00 1.58 H new ATOM 0 HB2 GLU A 98 3.710 -17.200 -0.922 1.00 1.97 H new ATOM 0 HB3 GLU A 98 4.456 -15.776 -1.620 1.00 1.97 H new ATOM 0 HG2 GLU A 98 6.607 -16.322 -0.520 1.00 2.42 H new ATOM 0 HG3 GLU A 98 5.874 -17.695 0.287 1.00 2.42 H new ATOM 1548 N VAL A 99 2.655 -13.709 -0.206 1.00 1.23 N ATOM 1549 CA VAL A 99 1.418 -12.978 -0.525 1.00 1.04 C ATOM 1550 C VAL A 99 1.456 -12.445 -1.957 1.00 0.93 C ATOM 1551 O VAL A 99 2.197 -11.512 -2.264 1.00 0.92 O ATOM 1552 CB VAL A 99 1.159 -11.833 0.483 1.00 1.05 C ATOM 1553 CG1 VAL A 99 -0.044 -10.976 0.044 1.00 0.94 C ATOM 1554 CG2 VAL A 99 0.857 -12.407 1.874 1.00 1.19 C ATOM 0 H VAL A 99 3.499 -13.148 -0.325 1.00 1.23 H new ATOM 0 HA VAL A 99 0.589 -13.681 -0.443 1.00 1.04 H new ATOM 0 HB VAL A 99 2.056 -11.215 0.516 1.00 1.05 H new ATOM 0 HG11 VAL A 99 -0.206 -10.178 0.769 1.00 0.94 H new ATOM 0 HG12 VAL A 99 0.157 -10.542 -0.935 1.00 0.94 H new ATOM 0 HG13 VAL A 99 -0.935 -11.601 -0.012 1.00 0.94 H new ATOM 0 HG21 VAL A 99 0.677 -11.591 2.573 1.00 1.19 H new ATOM 0 HG22 VAL A 99 -0.028 -13.042 1.821 1.00 1.19 H new ATOM 0 HG23 VAL A 99 1.707 -12.997 2.217 1.00 1.19 H new ATOM 1564 N GLU A 100 0.591 -12.997 -2.813 1.00 0.92 N ATOM 1565 CA GLU A 100 0.243 -12.389 -4.097 1.00 0.86 C ATOM 1566 C GLU A 100 -0.484 -11.056 -3.899 1.00 0.72 C ATOM 1567 O GLU A 100 -1.289 -10.904 -2.975 1.00 0.82 O ATOM 1568 CB GLU A 100 -0.743 -13.246 -4.889 1.00 1.06 C ATOM 1569 CG GLU A 100 -0.264 -14.568 -5.482 1.00 1.32 C ATOM 1570 CD GLU A 100 -1.289 -14.966 -6.545 1.00 2.04 C ATOM 1571 OE1 GLU A 100 -2.504 -14.819 -6.288 1.00 3.01 O ATOM 1572 OE2 GLU A 100 -0.915 -15.174 -7.716 1.00 2.78 O ATOM 0 H GLU A 100 0.112 -13.880 -2.633 1.00 0.92 H new ATOM 0 HA GLU A 100 1.191 -12.275 -4.622 1.00 0.86 H new ATOM 0 HB2 GLU A 100 -1.587 -13.465 -4.235 1.00 1.06 H new ATOM 0 HB3 GLU A 100 -1.124 -12.637 -5.708 1.00 1.06 H new ATOM 0 HG2 GLU A 100 0.728 -14.459 -5.921 1.00 1.32 H new ATOM 0 HG3 GLU A 100 -0.188 -15.334 -4.710 1.00 1.32 H new ATOM 1579 N LEU A 101 -0.289 -10.126 -4.836 1.00 0.77 N ATOM 1580 CA LEU A 101 -0.986 -8.850 -4.884 1.00 0.72 C ATOM 1581 C LEU A 101 -1.041 -8.338 -6.335 1.00 0.74 C ATOM 1582 O LEU A 101 -0.028 -8.057 -6.974 1.00 0.79 O ATOM 1583 CB LEU A 101 -0.249 -7.948 -3.884 1.00 0.81 C ATOM 1584 CG LEU A 101 -0.733 -6.552 -3.522 1.00 1.43 C ATOM 1585 CD1 LEU A 101 -0.980 -5.700 -4.761 1.00 3.36 C ATOM 1586 CD2 LEU A 101 -1.949 -6.588 -2.585 1.00 1.33 C ATOM 0 H LEU A 101 0.376 -10.248 -5.600 1.00 0.77 H new ATOM 0 HA LEU A 101 -2.035 -8.899 -4.591 1.00 0.72 H new ATOM 0 HB2 LEU A 101 -0.186 -8.507 -2.950 1.00 0.81 H new ATOM 0 HB3 LEU A 101 0.769 -7.836 -4.258 1.00 0.81 H new ATOM 0 HG LEU A 101 0.070 -6.069 -2.965 1.00 1.43 H new ATOM 0 HD11 LEU A 101 -1.324 -4.711 -4.460 1.00 3.36 H new ATOM 0 HD12 LEU A 101 -0.054 -5.605 -5.328 1.00 3.36 H new ATOM 0 HD13 LEU A 101 -1.739 -6.174 -5.383 1.00 3.36 H new ATOM 0 HD21 LEU A 101 -2.260 -5.569 -2.353 1.00 1.33 H new ATOM 0 HD22 LEU A 101 -2.769 -7.116 -3.073 1.00 1.33 H new ATOM 0 HD23 LEU A 101 -1.683 -7.105 -1.663 1.00 1.33 H new ATOM 1598 N ASP A 102 -2.264 -8.230 -6.836 1.00 0.78 N ATOM 1599 CA ASP A 102 -2.687 -7.610 -8.090 1.00 0.75 C ATOM 1600 C ASP A 102 -2.831 -6.092 -7.932 1.00 0.71 C ATOM 1601 O ASP A 102 -3.671 -5.615 -7.168 1.00 0.70 O ATOM 1602 CB ASP A 102 -4.046 -8.212 -8.483 1.00 0.80 C ATOM 1603 CG ASP A 102 -3.919 -9.556 -9.197 1.00 1.06 C ATOM 1604 OD1 ASP A 102 -3.260 -9.591 -10.258 1.00 1.99 O ATOM 1605 OD2 ASP A 102 -4.450 -10.560 -8.661 1.00 1.89 O ATOM 0 H ASP A 102 -3.063 -8.610 -6.328 1.00 0.78 H new ATOM 0 HA ASP A 102 -1.937 -7.800 -8.858 1.00 0.75 H new ATOM 0 HB2 ASP A 102 -4.654 -8.339 -7.587 1.00 0.80 H new ATOM 0 HB3 ASP A 102 -4.574 -7.512 -9.130 1.00 0.80 H new ATOM 1610 N LEU A 103 -2.022 -5.317 -8.656 1.00 0.89 N ATOM 1611 CA LEU A 103 -1.985 -3.852 -8.609 1.00 0.84 C ATOM 1612 C LEU A 103 -3.066 -3.264 -9.518 1.00 0.72 C ATOM 1613 O LEU A 103 -3.011 -3.472 -10.728 1.00 0.87 O ATOM 1614 CB LEU A 103 -0.601 -3.375 -9.091 1.00 1.14 C ATOM 1615 CG LEU A 103 0.593 -3.933 -8.299 1.00 1.47 C ATOM 1616 CD1 LEU A 103 1.894 -3.607 -9.037 1.00 2.09 C ATOM 1617 CD2 LEU A 103 0.636 -3.340 -6.893 1.00 1.52 C ATOM 0 H LEU A 103 -1.349 -5.706 -9.316 1.00 0.89 H new ATOM 0 HA LEU A 103 -2.166 -3.520 -7.587 1.00 0.84 H new ATOM 0 HB2 LEU A 103 -0.483 -3.651 -10.139 1.00 1.14 H new ATOM 0 HB3 LEU A 103 -0.572 -2.286 -9.043 1.00 1.14 H new ATOM 0 HG LEU A 103 0.479 -5.014 -8.214 1.00 1.47 H new ATOM 0 HD11 LEU A 103 2.740 -4.003 -8.475 1.00 2.09 H new ATOM 0 HD12 LEU A 103 1.873 -4.060 -10.028 1.00 2.09 H new ATOM 0 HD13 LEU A 103 1.996 -2.526 -9.134 1.00 2.09 H new ATOM 0 HD21 LEU A 103 1.489 -3.749 -6.351 1.00 1.52 H new ATOM 0 HD22 LEU A 103 0.734 -2.256 -6.958 1.00 1.52 H new ATOM 0 HD23 LEU A 103 -0.284 -3.590 -6.364 1.00 1.52 H new ATOM 1629 N LEU A 104 -4.017 -2.506 -8.964 1.00 0.56 N ATOM 1630 CA LEU A 104 -5.162 -1.996 -9.723 1.00 0.60 C ATOM 1631 C LEU A 104 -4.854 -0.590 -10.243 1.00 0.61 C ATOM 1632 O LEU A 104 -4.606 0.328 -9.453 1.00 0.56 O ATOM 1633 CB LEU A 104 -6.445 -1.999 -8.864 1.00 0.60 C ATOM 1634 CG LEU A 104 -6.740 -3.277 -8.066 1.00 0.60 C ATOM 1635 CD1 LEU A 104 -8.106 -3.175 -7.368 1.00 0.76 C ATOM 1636 CD2 LEU A 104 -6.704 -4.546 -8.928 1.00 0.63 C ATOM 0 H LEU A 104 -4.015 -2.230 -7.982 1.00 0.56 H new ATOM 0 HA LEU A 104 -5.338 -2.655 -10.574 1.00 0.60 H new ATOM 0 HB2 LEU A 104 -6.386 -1.166 -8.163 1.00 0.60 H new ATOM 0 HB3 LEU A 104 -7.294 -1.804 -9.520 1.00 0.60 H new ATOM 0 HG LEU A 104 -5.945 -3.362 -7.325 1.00 0.60 H new ATOM 0 HD11 LEU A 104 -8.297 -4.090 -6.808 1.00 0.76 H new ATOM 0 HD12 LEU A 104 -8.103 -2.325 -6.685 1.00 0.76 H new ATOM 0 HD13 LEU A 104 -8.887 -3.037 -8.116 1.00 0.76 H new ATOM 0 HD21 LEU A 104 -6.920 -5.415 -8.306 1.00 0.63 H new ATOM 0 HD22 LEU A 104 -7.451 -4.470 -9.718 1.00 0.63 H new ATOM 0 HD23 LEU A 104 -5.715 -4.656 -9.373 1.00 0.63 H new ATOM 1648 N PHE A 105 -4.915 -0.394 -11.561 1.00 0.71 N ATOM 1649 CA PHE A 105 -4.632 0.889 -12.208 1.00 0.79 C ATOM 1650 C PHE A 105 -5.837 1.417 -13.006 1.00 0.95 C ATOM 1651 O PHE A 105 -6.671 0.665 -13.514 1.00 1.38 O ATOM 1652 CB PHE A 105 -3.408 0.731 -13.118 1.00 0.90 C ATOM 1653 CG PHE A 105 -2.107 0.387 -12.416 1.00 0.85 C ATOM 1654 CD1 PHE A 105 -1.358 1.389 -11.771 1.00 1.88 C ATOM 1655 CD2 PHE A 105 -1.624 -0.937 -12.438 1.00 2.23 C ATOM 1656 CE1 PHE A 105 -0.139 1.072 -11.147 1.00 1.86 C ATOM 1657 CE2 PHE A 105 -0.397 -1.248 -11.827 1.00 2.27 C ATOM 1658 CZ PHE A 105 0.345 -0.246 -11.177 1.00 0.92 C ATOM 0 H PHE A 105 -5.166 -1.132 -12.219 1.00 0.71 H new ATOM 0 HA PHE A 105 -4.426 1.626 -11.432 1.00 0.79 H new ATOM 0 HB2 PHE A 105 -3.621 -0.047 -13.851 1.00 0.90 H new ATOM 0 HB3 PHE A 105 -3.267 1.660 -13.671 1.00 0.90 H new ATOM 0 HD1 PHE A 105 -1.721 2.406 -11.755 1.00 1.88 H new ATOM 0 HD2 PHE A 105 -2.197 -1.713 -12.924 1.00 2.23 H new ATOM 0 HE1 PHE A 105 0.426 1.843 -10.644 1.00 1.86 H new ATOM 0 HE2 PHE A 105 -0.023 -2.261 -11.857 1.00 2.27 H new ATOM 0 HZ PHE A 105 1.284 -0.489 -10.702 1.00 0.92 H new ATOM 1668 N ALA A 106 -5.905 2.746 -13.138 1.00 0.74 N ATOM 1669 CA ALA A 106 -7.025 3.464 -13.747 1.00 0.93 C ATOM 1670 C ALA A 106 -7.336 2.990 -15.181 1.00 1.18 C ATOM 1671 O ALA A 106 -6.548 3.188 -16.114 1.00 1.63 O ATOM 1672 CB ALA A 106 -6.734 4.970 -13.686 1.00 1.57 C ATOM 0 H ALA A 106 -5.162 3.366 -12.815 1.00 0.74 H new ATOM 0 HA ALA A 106 -7.929 3.245 -13.178 1.00 0.93 H new ATOM 0 HB1 ALA A 106 -7.561 5.519 -14.137 1.00 1.57 H new ATOM 0 HB2 ALA A 106 -6.619 5.277 -12.646 1.00 1.57 H new ATOM 0 HB3 ALA A 106 -5.815 5.185 -14.232 1.00 1.57 H new ATOM 1678 N GLY A 107 -8.514 2.378 -15.351 1.00 1.90 N ATOM 1679 CA GLY A 107 -9.076 1.964 -16.640 1.00 2.63 C ATOM 1680 C GLY A 107 -8.435 0.695 -17.198 1.00 2.26 C ATOM 1681 O GLY A 107 -7.647 0.776 -18.139 1.00 3.34 O ATOM 0 H GLY A 107 -9.123 2.150 -14.566 1.00 1.90 H new ATOM 0 HA2 GLY A 107 -10.148 1.802 -16.526 1.00 2.63 H new ATOM 0 HA3 GLY A 107 -8.951 2.773 -17.360 1.00 2.63 H new ATOM 1685 N GLY A 108 -8.790 -0.469 -16.649 1.00 1.90 N ATOM 1686 CA GLY A 108 -8.547 -1.786 -17.258 1.00 1.92 C ATOM 1687 C GLY A 108 -7.133 -2.359 -17.120 1.00 1.70 C ATOM 1688 O GLY A 108 -6.918 -3.509 -17.489 1.00 2.22 O ATOM 0 H GLY A 108 -9.265 -0.527 -15.748 1.00 1.90 H new ATOM 0 HA2 GLY A 108 -9.247 -2.498 -16.819 1.00 1.92 H new ATOM 0 HA3 GLY A 108 -8.784 -1.719 -18.320 1.00 1.92 H new ATOM 1692 N LYS A 109 -6.156 -1.617 -16.589 1.00 1.21 N ATOM 1693 CA LYS A 109 -4.833 -2.167 -16.301 1.00 1.10 C ATOM 1694 C LYS A 109 -4.817 -2.801 -14.899 1.00 0.98 C ATOM 1695 O LYS A 109 -5.134 -2.128 -13.921 1.00 0.91 O ATOM 1696 CB LYS A 109 -3.780 -1.052 -16.404 1.00 1.21 C ATOM 1697 CG LYS A 109 -3.286 -0.727 -17.825 1.00 1.83 C ATOM 1698 CD LYS A 109 -4.217 0.186 -18.635 1.00 3.27 C ATOM 1699 CE LYS A 109 -4.285 1.592 -18.020 1.00 4.09 C ATOM 1700 NZ LYS A 109 -5.404 2.385 -18.579 1.00 5.23 N ATOM 0 H LYS A 109 -6.260 -0.631 -16.350 1.00 1.21 H new ATOM 0 HA LYS A 109 -4.597 -2.943 -17.029 1.00 1.10 H new ATOM 0 HB2 LYS A 109 -4.196 -0.144 -15.968 1.00 1.21 H new ATOM 0 HB3 LYS A 109 -2.920 -1.333 -15.796 1.00 1.21 H new ATOM 0 HG2 LYS A 109 -2.306 -0.254 -17.755 1.00 1.83 H new ATOM 0 HG3 LYS A 109 -3.151 -1.661 -18.370 1.00 1.83 H new ATOM 0 HD2 LYS A 109 -3.862 0.252 -19.663 1.00 3.27 H new ATOM 0 HD3 LYS A 109 -5.216 -0.248 -18.670 1.00 3.27 H new ATOM 0 HE2 LYS A 109 -4.402 1.510 -16.939 1.00 4.09 H new ATOM 0 HE3 LYS A 109 -3.345 2.113 -18.200 1.00 4.09 H new ATOM 0 HZ1 LYS A 109 -5.700 3.103 -17.887 1.00 5.23 H new ATOM 0 HZ2 LYS A 109 -5.094 2.854 -19.454 1.00 5.23 H new ATOM 0 HZ3 LYS A 109 -6.205 1.755 -18.789 1.00 5.23 H new ATOM 1714 N VAL A 110 -4.372 -4.049 -14.797 1.00 1.09 N ATOM 1715 CA VAL A 110 -4.057 -4.731 -13.543 1.00 1.03 C ATOM 1716 C VAL A 110 -2.827 -5.613 -13.753 1.00 1.18 C ATOM 1717 O VAL A 110 -2.711 -6.245 -14.804 1.00 1.38 O ATOM 1718 CB VAL A 110 -5.275 -5.506 -12.992 1.00 1.00 C ATOM 1719 CG1 VAL A 110 -5.920 -6.447 -14.021 1.00 1.20 C ATOM 1720 CG2 VAL A 110 -4.948 -6.292 -11.713 1.00 0.96 C ATOM 0 H VAL A 110 -4.214 -4.637 -15.615 1.00 1.09 H new ATOM 0 HA VAL A 110 -3.818 -3.995 -12.775 1.00 1.03 H new ATOM 0 HB VAL A 110 -6.000 -4.729 -12.750 1.00 1.00 H new ATOM 0 HG11 VAL A 110 -6.768 -6.958 -13.565 1.00 1.20 H new ATOM 0 HG12 VAL A 110 -6.263 -5.868 -14.879 1.00 1.20 H new ATOM 0 HG13 VAL A 110 -5.187 -7.184 -14.350 1.00 1.20 H new ATOM 0 HG21 VAL A 110 -5.840 -6.817 -11.371 1.00 0.96 H new ATOM 0 HG22 VAL A 110 -4.159 -7.015 -11.922 1.00 0.96 H new ATOM 0 HG23 VAL A 110 -4.613 -5.603 -10.938 1.00 0.96 H new ATOM 1730 N LEU A 111 -1.885 -5.584 -12.804 1.00 1.12 N ATOM 1731 CA LEU A 111 -0.565 -6.220 -12.923 1.00 1.25 C ATOM 1732 C LEU A 111 -0.175 -6.883 -11.600 1.00 1.13 C ATOM 1733 O LEU A 111 -0.143 -6.223 -10.565 1.00 1.16 O ATOM 1734 CB LEU A 111 0.489 -5.155 -13.300 1.00 1.49 C ATOM 1735 CG LEU A 111 0.310 -4.479 -14.678 1.00 1.79 C ATOM 1736 CD1 LEU A 111 1.320 -3.330 -14.820 1.00 2.11 C ATOM 1737 CD2 LEU A 111 0.507 -5.467 -15.838 1.00 2.12 C ATOM 0 H LEU A 111 -2.020 -5.108 -11.912 1.00 1.12 H new ATOM 0 HA LEU A 111 -0.608 -6.983 -13.700 1.00 1.25 H new ATOM 0 HB2 LEU A 111 0.482 -4.380 -12.534 1.00 1.49 H new ATOM 0 HB3 LEU A 111 1.474 -5.622 -13.272 1.00 1.49 H new ATOM 0 HG LEU A 111 -0.712 -4.102 -14.728 1.00 1.79 H new ATOM 0 HD11 LEU A 111 1.194 -2.853 -15.792 1.00 2.11 H new ATOM 0 HD12 LEU A 111 1.150 -2.597 -14.031 1.00 2.11 H new ATOM 0 HD13 LEU A 111 2.333 -3.724 -14.738 1.00 2.11 H new ATOM 0 HD21 LEU A 111 0.371 -4.947 -16.786 1.00 2.12 H new ATOM 0 HD22 LEU A 111 1.513 -5.884 -15.794 1.00 2.12 H new ATOM 0 HD23 LEU A 111 -0.224 -6.272 -15.758 1.00 2.12 H new ATOM 1749 N LYS A 112 0.150 -8.177 -11.608 1.00 1.15 N ATOM 1750 CA LYS A 112 0.487 -8.895 -10.375 1.00 1.16 C ATOM 1751 C LYS A 112 1.954 -8.715 -9.946 1.00 1.22 C ATOM 1752 O LYS A 112 2.871 -8.882 -10.750 1.00 1.47 O ATOM 1753 CB LYS A 112 0.107 -10.379 -10.516 1.00 1.31 C ATOM 1754 CG LYS A 112 0.264 -11.100 -9.165 1.00 1.44 C ATOM 1755 CD LYS A 112 -0.492 -12.423 -9.061 1.00 1.37 C ATOM 1756 CE LYS A 112 -2.004 -12.178 -9.001 1.00 2.14 C ATOM 1757 NZ LYS A 112 -2.782 -13.406 -8.725 1.00 2.66 N ATOM 0 H LYS A 112 0.187 -8.749 -12.452 1.00 1.15 H new ATOM 0 HA LYS A 112 -0.100 -8.454 -9.569 1.00 1.16 H new ATOM 0 HB2 LYS A 112 -0.922 -10.467 -10.866 1.00 1.31 H new ATOM 0 HB3 LYS A 112 0.740 -10.854 -11.266 1.00 1.31 H new ATOM 0 HG2 LYS A 112 1.323 -11.287 -8.988 1.00 1.44 H new ATOM 0 HG3 LYS A 112 -0.080 -10.436 -8.371 1.00 1.44 H new ATOM 0 HD2 LYS A 112 -0.254 -13.052 -9.919 1.00 1.37 H new ATOM 0 HD3 LYS A 112 -0.170 -12.963 -8.170 1.00 1.37 H new ATOM 0 HE2 LYS A 112 -2.216 -11.440 -8.227 1.00 2.14 H new ATOM 0 HE3 LYS A 112 -2.334 -11.751 -9.948 1.00 2.14 H new ATOM 0 HZ1 LYS A 112 -3.473 -13.558 -9.487 1.00 2.66 H new ATOM 0 HZ2 LYS A 112 -2.138 -14.221 -8.674 1.00 2.66 H new ATOM 0 HZ3 LYS A 112 -3.283 -13.303 -7.819 1.00 2.66 H new ATOM 1771 N VAL A 113 2.155 -8.471 -8.651 1.00 1.07 N ATOM 1772 CA VAL A 113 3.406 -8.723 -7.916 1.00 1.08 C ATOM 1773 C VAL A 113 3.160 -9.766 -6.809 1.00 1.11 C ATOM 1774 O VAL A 113 2.029 -10.196 -6.587 1.00 1.28 O ATOM 1775 CB VAL A 113 4.026 -7.419 -7.350 1.00 1.10 C ATOM 1776 CG1 VAL A 113 4.463 -6.480 -8.486 1.00 1.30 C ATOM 1777 CG2 VAL A 113 3.097 -6.678 -6.373 1.00 1.20 C ATOM 0 H VAL A 113 1.425 -8.077 -8.057 1.00 1.07 H new ATOM 0 HA VAL A 113 4.137 -9.125 -8.617 1.00 1.08 H new ATOM 0 HB VAL A 113 4.902 -7.726 -6.779 1.00 1.10 H new ATOM 0 HG11 VAL A 113 4.894 -5.573 -8.063 1.00 1.30 H new ATOM 0 HG12 VAL A 113 5.207 -6.981 -9.106 1.00 1.30 H new ATOM 0 HG13 VAL A 113 3.598 -6.220 -9.096 1.00 1.30 H new ATOM 0 HG21 VAL A 113 3.592 -5.775 -6.015 1.00 1.20 H new ATOM 0 HG22 VAL A 113 2.173 -6.407 -6.884 1.00 1.20 H new ATOM 0 HG23 VAL A 113 2.867 -7.326 -5.527 1.00 1.20 H new ATOM 1787 N VAL A 114 4.215 -10.173 -6.109 1.00 1.05 N ATOM 1788 CA VAL A 114 4.184 -11.098 -4.967 1.00 1.13 C ATOM 1789 C VAL A 114 5.264 -10.655 -3.979 1.00 1.21 C ATOM 1790 O VAL A 114 6.312 -10.176 -4.408 1.00 1.45 O ATOM 1791 CB VAL A 114 4.341 -12.581 -5.401 1.00 1.54 C ATOM 1792 CG1 VAL A 114 5.576 -12.823 -6.288 1.00 1.79 C ATOM 1793 CG2 VAL A 114 4.381 -13.541 -4.200 1.00 2.16 C ATOM 0 H VAL A 114 5.160 -9.856 -6.327 1.00 1.05 H new ATOM 0 HA VAL A 114 3.208 -11.056 -4.484 1.00 1.13 H new ATOM 0 HB VAL A 114 3.451 -12.793 -5.994 1.00 1.54 H new ATOM 0 HG11 VAL A 114 5.629 -13.878 -6.557 1.00 1.79 H new ATOM 0 HG12 VAL A 114 5.497 -12.221 -7.193 1.00 1.79 H new ATOM 0 HG13 VAL A 114 6.477 -12.542 -5.742 1.00 1.79 H new ATOM 0 HG21 VAL A 114 4.492 -14.565 -4.556 1.00 2.16 H new ATOM 0 HG22 VAL A 114 5.225 -13.287 -3.559 1.00 2.16 H new ATOM 0 HG23 VAL A 114 3.455 -13.453 -3.632 1.00 2.16 H new ATOM 1803 N LEU A 115 4.972 -10.743 -2.680 1.00 1.12 N ATOM 1804 CA LEU A 115 5.762 -10.175 -1.583 1.00 1.24 C ATOM 1805 C LEU A 115 5.744 -11.096 -0.345 1.00 1.21 C ATOM 1806 O LEU A 115 4.826 -11.917 -0.208 1.00 1.41 O ATOM 1807 CB LEU A 115 5.171 -8.802 -1.199 1.00 1.27 C ATOM 1808 CG LEU A 115 5.299 -7.704 -2.269 1.00 1.52 C ATOM 1809 CD1 LEU A 115 4.584 -6.447 -1.765 1.00 1.79 C ATOM 1810 CD2 LEU A 115 6.761 -7.360 -2.593 1.00 2.15 C ATOM 0 H LEU A 115 4.142 -11.234 -2.348 1.00 1.12 H new ATOM 0 HA LEU A 115 6.794 -10.070 -1.918 1.00 1.24 H new ATOM 0 HB2 LEU A 115 4.115 -8.934 -0.963 1.00 1.27 H new ATOM 0 HB3 LEU A 115 5.661 -8.457 -0.288 1.00 1.27 H new ATOM 0 HG LEU A 115 4.846 -8.078 -3.187 1.00 1.52 H new ATOM 0 HD11 LEU A 115 4.665 -5.658 -2.512 1.00 1.79 H new ATOM 0 HD12 LEU A 115 3.532 -6.673 -1.588 1.00 1.79 H new ATOM 0 HD13 LEU A 115 5.045 -6.115 -0.835 1.00 1.79 H new ATOM 0 HD21 LEU A 115 6.791 -6.580 -3.354 1.00 2.15 H new ATOM 0 HD22 LEU A 115 7.260 -7.007 -1.691 1.00 2.15 H new ATOM 0 HD23 LEU A 115 7.270 -8.249 -2.965 1.00 2.15 H new ATOM 1822 N PRO A 116 6.721 -10.935 0.572 1.00 1.03 N ATOM 1823 CA PRO A 116 6.729 -11.550 1.895 1.00 0.93 C ATOM 1824 C PRO A 116 5.834 -10.804 2.902 1.00 0.94 C ATOM 1825 O PRO A 116 5.376 -9.679 2.677 1.00 1.18 O ATOM 1826 CB PRO A 116 8.200 -11.508 2.331 1.00 0.94 C ATOM 1827 CG PRO A 116 8.712 -10.223 1.684 1.00 0.98 C ATOM 1828 CD PRO A 116 7.971 -10.214 0.350 1.00 1.01 C ATOM 0 HA PRO A 116 6.326 -12.562 1.861 1.00 0.93 H new ATOM 0 HB2 PRO A 116 8.299 -11.481 3.416 1.00 0.94 H new ATOM 0 HB3 PRO A 116 8.750 -12.382 1.983 1.00 0.94 H new ATOM 0 HG2 PRO A 116 8.479 -9.344 2.285 1.00 0.98 H new ATOM 0 HG3 PRO A 116 9.793 -10.239 1.549 1.00 0.98 H new ATOM 0 HD2 PRO A 116 7.778 -9.194 0.019 1.00 1.01 H new ATOM 0 HD3 PRO A 116 8.564 -10.694 -0.428 1.00 1.01 H new ATOM 1836 N VAL A 117 5.626 -11.449 4.053 1.00 0.85 N ATOM 1837 CA VAL A 117 4.940 -10.921 5.234 1.00 0.89 C ATOM 1838 C VAL A 117 5.947 -10.618 6.359 1.00 0.94 C ATOM 1839 O VAL A 117 6.728 -11.496 6.730 1.00 1.04 O ATOM 1840 CB VAL A 117 3.928 -11.980 5.726 1.00 0.91 C ATOM 1841 CG1 VAL A 117 3.259 -11.577 7.039 1.00 1.00 C ATOM 1842 CG2 VAL A 117 2.841 -12.266 4.684 1.00 0.95 C ATOM 0 H VAL A 117 5.950 -12.406 4.193 1.00 0.85 H new ATOM 0 HA VAL A 117 4.430 -9.995 4.970 1.00 0.89 H new ATOM 0 HB VAL A 117 4.512 -12.885 5.891 1.00 0.91 H new ATOM 0 HG11 VAL A 117 2.557 -12.353 7.343 1.00 1.00 H new ATOM 0 HG12 VAL A 117 4.018 -11.452 7.811 1.00 1.00 H new ATOM 0 HG13 VAL A 117 2.724 -10.638 6.901 1.00 1.00 H new ATOM 0 HG21 VAL A 117 2.152 -13.016 5.073 1.00 0.95 H new ATOM 0 HG22 VAL A 117 2.294 -11.348 4.468 1.00 0.95 H new ATOM 0 HG23 VAL A 117 3.303 -12.637 3.769 1.00 0.95 H new ATOM 1852 N GLU A 118 5.841 -9.437 6.988 1.00 0.98 N ATOM 1853 CA GLU A 118 6.580 -9.056 8.203 1.00 1.03 C ATOM 1854 C GLU A 118 5.698 -8.231 9.148 1.00 1.26 C ATOM 1855 O GLU A 118 4.838 -7.475 8.709 1.00 1.63 O ATOM 1856 CB GLU A 118 7.817 -8.190 7.886 1.00 1.14 C ATOM 1857 CG GLU A 118 8.990 -8.915 7.217 1.00 1.79 C ATOM 1858 CD GLU A 118 9.133 -8.487 5.763 1.00 3.47 C ATOM 1859 OE1 GLU A 118 9.829 -7.470 5.530 1.00 4.11 O ATOM 1860 OE2 GLU A 118 8.515 -9.147 4.908 1.00 4.90 O ATOM 0 H GLU A 118 5.221 -8.699 6.656 1.00 0.98 H new ATOM 0 HA GLU A 118 6.887 -9.994 8.666 1.00 1.03 H new ATOM 0 HB2 GLU A 118 7.506 -7.370 7.239 1.00 1.14 H new ATOM 0 HB3 GLU A 118 8.173 -7.745 8.815 1.00 1.14 H new ATOM 0 HG2 GLU A 118 9.912 -8.699 7.757 1.00 1.79 H new ATOM 0 HG3 GLU A 118 8.835 -9.993 7.270 1.00 1.79 H new ATOM 1867 N ALA A 119 5.956 -8.296 10.458 1.00 1.39 N ATOM 1868 CA ALA A 119 5.431 -7.318 11.414 1.00 1.71 C ATOM 1869 C ALA A 119 6.389 -6.121 11.546 1.00 1.65 C ATOM 1870 O ALA A 119 7.224 -6.096 12.447 1.00 1.98 O ATOM 1871 CB ALA A 119 5.175 -8.008 12.760 1.00 2.26 C ATOM 0 H ALA A 119 6.531 -9.023 10.883 1.00 1.39 H new ATOM 0 HA ALA A 119 4.482 -6.922 11.052 1.00 1.71 H new ATOM 0 HB1 ALA A 119 4.784 -7.282 13.473 1.00 2.26 H new ATOM 0 HB2 ALA A 119 4.450 -8.811 12.625 1.00 2.26 H new ATOM 0 HB3 ALA A 119 6.109 -8.423 13.140 1.00 2.26 H new ATOM 1877 N ARG A 120 6.262 -5.128 10.655 1.00 1.81 N ATOM 1878 CA ARG A 120 6.969 -3.833 10.731 1.00 1.98 C ATOM 1879 C ARG A 120 6.111 -2.694 10.190 1.00 2.58 C ATOM 1880 O ARG A 120 5.854 -1.755 10.967 1.00 2.76 O ATOM 1881 CB ARG A 120 8.393 -3.935 10.139 1.00 2.32 C ATOM 1882 CG ARG A 120 8.481 -4.251 8.637 1.00 2.88 C ATOM 1883 CD ARG A 120 9.914 -4.615 8.219 1.00 3.47 C ATOM 1884 NE ARG A 120 10.012 -5.065 6.818 1.00 4.97 N ATOM 1885 CZ ARG A 120 10.245 -4.368 5.727 1.00 6.05 C ATOM 1886 NH1 ARG A 120 10.323 -3.068 5.728 1.00 6.17 N ATOM 1887 NH2 ARG A 120 10.374 -4.984 4.592 1.00 7.71 N ATOM 1888 OXT ARG A 120 5.534 -2.835 9.093 1.00 3.39 O ATOM 0 H ARG A 120 5.652 -5.200 9.841 1.00 1.81 H new ATOM 0 HA ARG A 120 7.128 -3.573 11.778 1.00 1.98 H new ATOM 0 HB2 ARG A 120 8.909 -2.992 10.322 1.00 2.32 H new ATOM 0 HB3 ARG A 120 8.937 -4.707 10.684 1.00 2.32 H new ATOM 0 HG2 ARG A 120 7.811 -5.077 8.398 1.00 2.88 H new ATOM 0 HG3 ARG A 120 8.142 -3.389 8.063 1.00 2.88 H new ATOM 0 HD2 ARG A 120 10.559 -3.748 8.362 1.00 3.47 H new ATOM 0 HD3 ARG A 120 10.288 -5.402 8.874 1.00 3.47 H new ATOM 0 HE ARG A 120 9.879 -6.066 6.673 1.00 4.97 H new ATOM 0 HH11 ARG A 120 10.202 -2.550 6.599 1.00 6.17 H new ATOM 0 HH12 ARG A 120 10.505 -2.567 4.858 1.00 6.17 H new ATOM 0 HH21 ARG A 120 10.295 -6.000 4.551 1.00 7.71 H new ATOM 0 HH22 ARG A 120 10.555 -4.452 3.741 1.00 7.71 H new