USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 926 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 HIS : no HD1:sc= -0.509 K(o=-0.98,f=-4.2!) USER MOD Set 1.2: A 48 THR OG1 : rot 160:sc= 0.221 USER MOD Set 1.3: A 83 HIS : no HD1:sc= -0.687 X(o=-0.98,f=-0.79) USER MOD Single : A 11 SER OG : rot 8:sc= 0.209 USER MOD Single : A 15 ASN : amide:sc= -0.247 K(o=-0.25,f=-1.2) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.322 K(o=0.32,f=-4.4!) USER MOD Single : A 37 THR OG1 : rot 94:sc= 0.379 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -107:sc= 0.00297 (180deg=-1.3!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -170:sc= 0 (180deg=-0.219) USER MOD Single : A 61 MET CE :methyl -169:sc= 0 (180deg=-0.216) USER MOD Single : A 72 LYS NZ :NH3+ 142:sc= 0.642! (180deg=0.326!) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 1.05 (180deg=0.851) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -168:sc= 0.721 (180deg=0.578) USER MOD Single : A 94 LYS NZ :NH3+ 160:sc= 0.739 (180deg=-0.504!) USER MOD Single : A 109 LYS NZ :NH3+ -149:sc= 0.771 (180deg=0.286) USER MOD Single : A 112 LYS NZ :NH3+ 177:sc= 0.783 (180deg=0.625!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 9.236 2.060 7.407 1.00 1.58 N ATOM 56 CA GLU A 5 8.819 0.968 6.512 1.00 1.27 C ATOM 57 C GLU A 5 7.429 0.414 6.887 1.00 1.18 C ATOM 58 O GLU A 5 6.738 0.945 7.755 1.00 1.68 O ATOM 59 CB GLU A 5 9.902 -0.130 6.441 1.00 3.06 C ATOM 60 CG GLU A 5 11.246 0.337 5.849 1.00 3.96 C ATOM 61 CD GLU A 5 12.044 1.223 6.808 1.00 4.05 C ATOM 62 OE1 GLU A 5 12.135 0.840 7.993 1.00 4.50 O ATOM 63 OE2 GLU A 5 12.493 2.315 6.392 1.00 4.58 O ATOM 0 HA GLU A 5 8.715 1.378 5.507 1.00 1.27 H new ATOM 0 HB2 GLU A 5 10.076 -0.517 7.445 1.00 3.06 H new ATOM 0 HB3 GLU A 5 9.523 -0.958 5.842 1.00 3.06 H new ATOM 0 HG2 GLU A 5 11.844 -0.536 5.586 1.00 3.96 H new ATOM 0 HG3 GLU A 5 11.059 0.886 4.926 1.00 3.96 H new ATOM 70 N GLY A 6 6.971 -0.607 6.155 1.00 1.21 N ATOM 71 CA GLY A 6 5.569 -1.027 6.134 1.00 1.20 C ATOM 72 C GLY A 6 5.179 -2.108 7.133 1.00 0.92 C ATOM 73 O GLY A 6 6.010 -2.686 7.828 1.00 1.10 O ATOM 0 H GLY A 6 7.572 -1.171 5.554 1.00 1.21 H new ATOM 0 HA2 GLY A 6 4.946 -0.151 6.315 1.00 1.20 H new ATOM 0 HA3 GLY A 6 5.333 -1.385 5.132 1.00 1.20 H new ATOM 77 N TRP A 7 3.885 -2.421 7.119 1.00 0.88 N ATOM 78 CA TRP A 7 3.274 -3.585 7.738 1.00 0.82 C ATOM 79 C TRP A 7 2.021 -4.016 6.955 1.00 0.77 C ATOM 80 O TRP A 7 1.344 -3.188 6.344 1.00 0.79 O ATOM 81 CB TRP A 7 2.982 -3.301 9.216 1.00 0.88 C ATOM 82 CG TRP A 7 1.918 -2.292 9.537 1.00 0.87 C ATOM 83 CD1 TRP A 7 0.665 -2.592 9.950 1.00 1.02 C ATOM 84 CD2 TRP A 7 1.995 -0.830 9.537 1.00 1.18 C ATOM 85 NE1 TRP A 7 -0.029 -1.432 10.222 1.00 1.21 N ATOM 86 CE2 TRP A 7 0.745 -0.313 9.995 1.00 1.35 C ATOM 87 CE3 TRP A 7 2.994 0.118 9.220 1.00 1.60 C ATOM 88 CZ2 TRP A 7 0.507 1.061 10.148 1.00 1.81 C ATOM 89 CZ3 TRP A 7 2.758 1.499 9.344 1.00 2.10 C ATOM 90 CH2 TRP A 7 1.521 1.974 9.814 1.00 2.18 C ATOM 0 H TRP A 7 3.199 -1.832 6.647 1.00 0.88 H new ATOM 0 HA TRP A 7 3.968 -4.425 7.703 1.00 0.82 H new ATOM 0 HB2 TRP A 7 2.705 -4.243 9.690 1.00 0.88 H new ATOM 0 HB3 TRP A 7 3.910 -2.970 9.683 1.00 0.88 H new ATOM 0 HD1 TRP A 7 0.268 -3.591 10.051 1.00 1.02 H new ATOM 0 HE1 TRP A 7 -0.994 -1.405 10.550 1.00 1.21 H new ATOM 0 HE3 TRP A 7 3.958 -0.225 8.875 1.00 1.60 H new ATOM 0 HZ2 TRP A 7 -0.445 1.413 10.518 1.00 1.81 H new ATOM 0 HZ3 TRP A 7 3.534 2.201 9.076 1.00 2.10 H new ATOM 0 HH2 TRP A 7 1.351 3.036 9.918 1.00 2.18 H new ATOM 101 N VAL A 8 1.697 -5.309 6.946 1.00 0.85 N ATOM 102 CA VAL A 8 0.440 -5.825 6.370 1.00 0.89 C ATOM 103 C VAL A 8 -0.596 -5.913 7.489 1.00 0.97 C ATOM 104 O VAL A 8 -0.232 -6.159 8.640 1.00 1.18 O ATOM 105 CB VAL A 8 0.623 -7.201 5.685 1.00 1.00 C ATOM 106 CG1 VAL A 8 -0.645 -7.675 4.949 1.00 1.13 C ATOM 107 CG2 VAL A 8 1.787 -7.185 4.677 1.00 1.02 C ATOM 0 H VAL A 8 2.296 -6.036 7.337 1.00 0.85 H new ATOM 0 HA VAL A 8 0.106 -5.141 5.590 1.00 0.89 H new ATOM 0 HB VAL A 8 0.841 -7.896 6.496 1.00 1.00 H new ATOM 0 HG11 VAL A 8 -0.457 -8.645 4.488 1.00 1.13 H new ATOM 0 HG12 VAL A 8 -1.466 -7.764 5.660 1.00 1.13 H new ATOM 0 HG13 VAL A 8 -0.910 -6.952 4.177 1.00 1.13 H new ATOM 0 HG21 VAL A 8 1.884 -8.169 4.217 1.00 1.02 H new ATOM 0 HG22 VAL A 8 1.590 -6.441 3.905 1.00 1.02 H new ATOM 0 HG23 VAL A 8 2.713 -6.934 5.194 1.00 1.02 H new ATOM 117 N ARG A 9 -1.881 -5.724 7.160 1.00 1.04 N ATOM 118 CA ARG A 9 -2.975 -5.977 8.100 1.00 1.27 C ATOM 119 C ARG A 9 -3.237 -7.499 8.250 1.00 1.43 C ATOM 120 O ARG A 9 -2.315 -8.307 8.251 1.00 2.51 O ATOM 121 CB ARG A 9 -4.191 -5.094 7.724 1.00 1.41 C ATOM 122 CG ARG A 9 -4.876 -4.440 8.940 1.00 1.73 C ATOM 123 CD ARG A 9 -5.410 -5.446 9.961 1.00 2.88 C ATOM 124 NE ARG A 9 -6.067 -4.787 11.091 1.00 3.40 N ATOM 125 CZ ARG A 9 -7.085 -5.257 11.805 1.00 4.44 C ATOM 126 NH1 ARG A 9 -7.738 -6.353 11.461 1.00 5.28 N ATOM 127 NH2 ARG A 9 -7.454 -4.634 12.897 1.00 5.10 N ATOM 0 H ARG A 9 -2.187 -5.395 6.244 1.00 1.04 H new ATOM 0 HA ARG A 9 -2.709 -5.671 9.112 1.00 1.27 H new ATOM 0 HB2 ARG A 9 -3.864 -4.313 7.038 1.00 1.41 H new ATOM 0 HB3 ARG A 9 -4.921 -5.703 7.190 1.00 1.41 H new ATOM 0 HG2 ARG A 9 -4.165 -3.778 9.434 1.00 1.73 H new ATOM 0 HG3 ARG A 9 -5.700 -3.818 8.590 1.00 1.73 H new ATOM 0 HD2 ARG A 9 -6.116 -6.117 9.473 1.00 2.88 H new ATOM 0 HD3 ARG A 9 -4.588 -6.060 10.328 1.00 2.88 H new ATOM 0 HE ARG A 9 -5.706 -3.871 11.359 1.00 3.40 H new ATOM 0 HH11 ARG A 9 -7.465 -6.867 10.623 1.00 5.28 H new ATOM 0 HH12 ARG A 9 -8.515 -6.685 12.033 1.00 5.28 H new ATOM 0 HH21 ARG A 9 -6.961 -3.793 13.196 1.00 5.10 H new ATOM 0 HH22 ARG A 9 -8.235 -4.990 13.449 1.00 5.10 H new ATOM 141 N PHE A 10 -4.495 -7.927 8.395 1.00 1.36 N ATOM 142 CA PHE A 10 -4.861 -9.232 8.939 1.00 1.26 C ATOM 143 C PHE A 10 -6.208 -9.698 8.388 1.00 1.32 C ATOM 144 O PHE A 10 -7.223 -9.037 8.601 1.00 1.60 O ATOM 145 CB PHE A 10 -4.884 -9.111 10.465 1.00 1.23 C ATOM 146 CG PHE A 10 -5.408 -10.322 11.203 1.00 1.25 C ATOM 147 CD1 PHE A 10 -4.519 -11.340 11.584 1.00 1.74 C ATOM 148 CD2 PHE A 10 -6.776 -10.437 11.508 1.00 2.24 C ATOM 149 CE1 PHE A 10 -5.002 -12.483 12.243 1.00 1.84 C ATOM 150 CE2 PHE A 10 -7.258 -11.578 12.171 1.00 2.31 C ATOM 151 CZ PHE A 10 -6.371 -12.605 12.536 1.00 1.51 C ATOM 0 H PHE A 10 -5.302 -7.362 8.131 1.00 1.36 H new ATOM 0 HA PHE A 10 -4.132 -9.986 8.641 1.00 1.26 H new ATOM 0 HB2 PHE A 10 -3.871 -8.905 10.812 1.00 1.23 H new ATOM 0 HB3 PHE A 10 -5.495 -8.249 10.735 1.00 1.23 H new ATOM 0 HD1 PHE A 10 -3.465 -11.244 11.371 1.00 1.74 H new ATOM 0 HD2 PHE A 10 -7.458 -9.646 11.232 1.00 2.24 H new ATOM 0 HE1 PHE A 10 -4.319 -13.270 12.525 1.00 1.84 H new ATOM 0 HE2 PHE A 10 -8.310 -11.666 12.400 1.00 2.31 H new ATOM 0 HZ PHE A 10 -6.740 -13.486 13.040 1.00 1.51 H new ATOM 161 N SER A 11 -6.181 -10.858 7.732 1.00 1.18 N ATOM 162 CA SER A 11 -7.309 -11.576 7.136 1.00 1.24 C ATOM 163 C SER A 11 -6.894 -13.023 6.813 1.00 1.13 C ATOM 164 O SER A 11 -5.752 -13.229 6.385 1.00 1.12 O ATOM 165 CB SER A 11 -7.716 -10.973 5.786 1.00 1.46 C ATOM 166 OG SER A 11 -8.240 -9.665 5.835 1.00 1.95 O ATOM 0 H SER A 11 -5.303 -11.359 7.593 1.00 1.18 H new ATOM 0 HA SER A 11 -8.125 -11.517 7.856 1.00 1.24 H new ATOM 0 HB2 SER A 11 -6.844 -10.971 5.132 1.00 1.46 H new ATOM 0 HB3 SER A 11 -8.458 -11.625 5.326 1.00 1.46 H new ATOM 0 HG SER A 11 -8.142 -9.307 6.742 1.00 1.95 H new ATOM 172 N PRO A 12 -7.804 -14.013 6.904 1.00 1.26 N ATOM 173 CA PRO A 12 -7.589 -15.331 6.312 1.00 1.33 C ATOM 174 C PRO A 12 -7.749 -15.296 4.783 1.00 1.14 C ATOM 175 O PRO A 12 -7.052 -16.011 4.069 1.00 1.23 O ATOM 176 CB PRO A 12 -8.641 -16.227 6.971 1.00 1.65 C ATOM 177 CG PRO A 12 -9.803 -15.274 7.257 1.00 1.68 C ATOM 178 CD PRO A 12 -9.110 -13.941 7.547 1.00 1.52 C ATOM 0 HA PRO A 12 -6.577 -15.697 6.483 1.00 1.33 H new ATOM 0 HB2 PRO A 12 -8.944 -17.040 6.312 1.00 1.65 H new ATOM 0 HB3 PRO A 12 -8.262 -16.682 7.886 1.00 1.65 H new ATOM 0 HG2 PRO A 12 -10.479 -15.198 6.405 1.00 1.68 H new ATOM 0 HG3 PRO A 12 -10.398 -15.610 8.106 1.00 1.68 H new ATOM 0 HD2 PRO A 12 -9.691 -13.107 7.155 1.00 1.52 H new ATOM 0 HD3 PRO A 12 -9.007 -13.781 8.620 1.00 1.52 H new ATOM 186 N GLY A 13 -8.661 -14.451 4.284 1.00 1.06 N ATOM 187 CA GLY A 13 -9.043 -14.326 2.877 1.00 0.97 C ATOM 188 C GLY A 13 -10.507 -13.880 2.735 1.00 0.99 C ATOM 189 O GLY A 13 -11.191 -13.727 3.749 1.00 1.08 O ATOM 0 H GLY A 13 -9.176 -13.806 4.883 1.00 1.06 H new ATOM 0 HA2 GLY A 13 -8.391 -13.605 2.383 1.00 0.97 H new ATOM 0 HA3 GLY A 13 -8.901 -15.282 2.373 1.00 0.97 H new ATOM 193 N PRO A 14 -11.012 -13.649 1.507 1.00 0.97 N ATOM 194 CA PRO A 14 -10.303 -13.740 0.230 1.00 0.95 C ATOM 195 C PRO A 14 -9.410 -12.521 -0.059 1.00 0.83 C ATOM 196 O PRO A 14 -8.691 -12.532 -1.060 1.00 0.84 O ATOM 197 CB PRO A 14 -11.419 -13.865 -0.815 1.00 1.06 C ATOM 198 CG PRO A 14 -12.544 -13.023 -0.216 1.00 1.06 C ATOM 199 CD PRO A 14 -12.410 -13.300 1.281 1.00 1.05 C ATOM 0 HA PRO A 14 -9.613 -14.584 0.226 1.00 0.95 H new ATOM 0 HB2 PRO A 14 -11.105 -13.487 -1.788 1.00 1.06 H new ATOM 0 HB3 PRO A 14 -11.723 -14.902 -0.959 1.00 1.06 H new ATOM 0 HG2 PRO A 14 -12.423 -11.964 -0.444 1.00 1.06 H new ATOM 0 HG3 PRO A 14 -13.520 -13.322 -0.597 1.00 1.06 H new ATOM 0 HD2 PRO A 14 -12.692 -12.424 1.866 1.00 1.05 H new ATOM 0 HD3 PRO A 14 -13.068 -14.113 1.587 1.00 1.05 H new ATOM 207 N ASN A 15 -9.427 -11.483 0.790 1.00 0.75 N ATOM 208 CA ASN A 15 -8.580 -10.301 0.647 1.00 0.60 C ATOM 209 C ASN A 15 -7.989 -9.813 1.975 1.00 0.58 C ATOM 210 O ASN A 15 -8.471 -10.127 3.064 1.00 0.78 O ATOM 211 CB ASN A 15 -9.356 -9.173 -0.051 1.00 0.65 C ATOM 212 CG ASN A 15 -10.384 -8.481 0.835 1.00 1.02 C ATOM 213 OD1 ASN A 15 -10.063 -7.786 1.787 1.00 2.03 O ATOM 214 ND2 ASN A 15 -11.655 -8.654 0.535 1.00 1.67 N ATOM 0 H ASN A 15 -10.040 -11.445 1.605 1.00 0.75 H new ATOM 0 HA ASN A 15 -7.732 -10.596 0.029 1.00 0.60 H new ATOM 0 HB2 ASN A 15 -8.646 -8.429 -0.414 1.00 0.65 H new ATOM 0 HB3 ASN A 15 -9.863 -9.583 -0.925 1.00 0.65 H new ATOM 0 HD21 ASN A 15 -12.378 -8.206 1.099 1.00 1.67 H new ATOM 0 HD22 ASN A 15 -11.917 -9.235 -0.261 1.00 1.67 H new ATOM 221 N ALA A 16 -6.973 -8.970 1.838 1.00 0.46 N ATOM 222 CA ALA A 16 -6.339 -8.166 2.884 1.00 0.50 C ATOM 223 C ALA A 16 -6.038 -6.744 2.371 1.00 0.47 C ATOM 224 O ALA A 16 -6.357 -6.397 1.235 1.00 0.41 O ATOM 225 CB ALA A 16 -5.076 -8.896 3.371 1.00 0.56 C ATOM 0 H ALA A 16 -6.537 -8.817 0.929 1.00 0.46 H new ATOM 0 HA ALA A 16 -7.015 -8.048 3.731 1.00 0.50 H new ATOM 0 HB1 ALA A 16 -4.593 -8.307 4.151 1.00 0.56 H new ATOM 0 HB2 ALA A 16 -5.351 -9.872 3.771 1.00 0.56 H new ATOM 0 HB3 ALA A 16 -4.387 -9.027 2.537 1.00 0.56 H new ATOM 231 N ALA A 17 -5.411 -5.920 3.210 1.00 0.58 N ATOM 232 CA ALA A 17 -4.877 -4.595 2.877 1.00 0.57 C ATOM 233 C ALA A 17 -3.456 -4.457 3.465 1.00 0.66 C ATOM 234 O ALA A 17 -3.161 -5.105 4.473 1.00 0.87 O ATOM 235 CB ALA A 17 -5.817 -3.533 3.460 1.00 0.63 C ATOM 0 H ALA A 17 -5.253 -6.168 4.187 1.00 0.58 H new ATOM 0 HA ALA A 17 -4.815 -4.462 1.797 1.00 0.57 H new ATOM 0 HB1 ALA A 17 -5.436 -2.540 3.222 1.00 0.63 H new ATOM 0 HB2 ALA A 17 -6.812 -3.652 3.031 1.00 0.63 H new ATOM 0 HB3 ALA A 17 -5.873 -3.651 4.542 1.00 0.63 H new ATOM 241 N ALA A 18 -2.586 -3.624 2.878 1.00 0.61 N ATOM 242 CA ALA A 18 -1.197 -3.451 3.312 1.00 0.67 C ATOM 243 C ALA A 18 -0.705 -2.000 3.189 1.00 0.57 C ATOM 244 O ALA A 18 -1.165 -1.233 2.338 1.00 0.59 O ATOM 245 CB ALA A 18 -0.300 -4.390 2.496 1.00 0.83 C ATOM 0 H ALA A 18 -2.833 -3.044 2.076 1.00 0.61 H new ATOM 0 HA ALA A 18 -1.147 -3.700 4.372 1.00 0.67 H new ATOM 0 HB1 ALA A 18 0.736 -4.269 2.812 1.00 0.83 H new ATOM 0 HB2 ALA A 18 -0.610 -5.422 2.659 1.00 0.83 H new ATOM 0 HB3 ALA A 18 -0.387 -4.147 1.437 1.00 0.83 H new ATOM 251 N TYR A 19 0.264 -1.658 4.033 1.00 0.59 N ATOM 252 CA TYR A 19 0.835 -0.318 4.212 1.00 0.67 C ATOM 253 C TYR A 19 2.361 -0.406 4.063 1.00 0.89 C ATOM 254 O TYR A 19 2.962 -1.308 4.634 1.00 1.74 O ATOM 255 CB TYR A 19 0.465 0.181 5.623 1.00 0.75 C ATOM 256 CG TYR A 19 -0.954 -0.156 6.060 1.00 0.96 C ATOM 257 CD1 TYR A 19 -2.056 0.449 5.427 1.00 1.45 C ATOM 258 CD2 TYR A 19 -1.167 -1.132 7.052 1.00 2.45 C ATOM 259 CE1 TYR A 19 -3.370 0.088 5.794 1.00 1.53 C ATOM 260 CE2 TYR A 19 -2.471 -1.490 7.433 1.00 2.76 C ATOM 261 CZ TYR A 19 -3.578 -0.878 6.808 1.00 1.64 C ATOM 262 OH TYR A 19 -4.838 -1.208 7.196 1.00 2.02 O ATOM 0 H TYR A 19 0.700 -2.345 4.648 1.00 0.59 H new ATOM 0 HA TYR A 19 0.445 0.375 3.466 1.00 0.67 H new ATOM 0 HB2 TYR A 19 1.164 -0.247 6.341 1.00 0.75 H new ATOM 0 HB3 TYR A 19 0.595 1.263 5.658 1.00 0.75 H new ATOM 0 HD1 TYR A 19 -1.896 1.191 4.659 1.00 1.45 H new ATOM 0 HD2 TYR A 19 -0.321 -1.609 7.524 1.00 2.45 H new ATOM 0 HE1 TYR A 19 -4.215 0.547 5.303 1.00 1.53 H new ATOM 0 HE2 TYR A 19 -2.626 -2.232 8.202 1.00 2.76 H new ATOM 0 HH TYR A 19 -4.796 -1.887 7.901 1.00 2.02 H new ATOM 272 N LEU A 20 3.003 0.504 3.323 1.00 0.86 N ATOM 273 CA LEU A 20 4.453 0.483 3.062 1.00 0.90 C ATOM 274 C LEU A 20 4.963 1.799 2.475 1.00 0.93 C ATOM 275 O LEU A 20 4.177 2.684 2.131 1.00 0.80 O ATOM 276 CB LEU A 20 4.924 -0.782 2.283 1.00 1.15 C ATOM 277 CG LEU A 20 4.479 -1.043 0.827 1.00 1.39 C ATOM 278 CD1 LEU A 20 2.961 -1.179 0.665 1.00 3.08 C ATOM 279 CD2 LEU A 20 5.028 -0.023 -0.176 1.00 1.85 C ATOM 0 H LEU A 20 2.526 1.289 2.880 1.00 0.86 H new ATOM 0 HA LEU A 20 4.933 0.395 4.037 1.00 0.90 H new ATOM 0 HB2 LEU A 20 6.014 -0.767 2.284 1.00 1.15 H new ATOM 0 HB3 LEU A 20 4.616 -1.648 2.869 1.00 1.15 H new ATOM 0 HG LEU A 20 4.925 -2.009 0.591 1.00 1.39 H new ATOM 0 HD11 LEU A 20 2.722 -1.361 -0.383 1.00 3.08 H new ATOM 0 HD12 LEU A 20 2.604 -2.013 1.269 1.00 3.08 H new ATOM 0 HD13 LEU A 20 2.476 -0.260 0.994 1.00 3.08 H new ATOM 0 HD21 LEU A 20 4.674 -0.270 -1.177 1.00 1.85 H new ATOM 0 HD22 LEU A 20 4.684 0.975 0.095 1.00 1.85 H new ATOM 0 HD23 LEU A 20 6.118 -0.047 -0.160 1.00 1.85 H new ATOM 291 N THR A 21 6.289 1.909 2.379 1.00 1.29 N ATOM 292 CA THR A 21 7.011 3.129 2.016 1.00 1.44 C ATOM 293 C THR A 21 7.657 2.996 0.651 1.00 1.63 C ATOM 294 O THR A 21 8.114 1.926 0.264 1.00 1.89 O ATOM 295 CB THR A 21 8.063 3.440 3.079 1.00 1.66 C ATOM 296 OG1 THR A 21 7.392 3.525 4.307 1.00 1.71 O ATOM 297 CG2 THR A 21 8.785 4.773 2.859 1.00 1.97 C ATOM 0 H THR A 21 6.912 1.122 2.559 1.00 1.29 H new ATOM 0 HA THR A 21 6.298 3.952 1.966 1.00 1.44 H new ATOM 0 HB THR A 21 8.816 2.653 3.040 1.00 1.66 H new ATOM 0 HG1 THR A 21 8.036 3.723 5.019 1.00 1.71 H new ATOM 0 HG21 THR A 21 9.517 4.926 3.652 1.00 1.97 H new ATOM 0 HG22 THR A 21 9.293 4.757 1.895 1.00 1.97 H new ATOM 0 HG23 THR A 21 8.060 5.586 2.873 1.00 1.97 H new ATOM 305 N LEU A 22 7.719 4.130 -0.036 1.00 1.63 N ATOM 306 CA LEU A 22 8.490 4.388 -1.245 1.00 1.85 C ATOM 307 C LEU A 22 9.600 5.403 -0.934 1.00 1.60 C ATOM 308 O LEU A 22 9.339 6.389 -0.239 1.00 1.49 O ATOM 309 CB LEU A 22 7.514 4.945 -2.298 1.00 2.15 C ATOM 310 CG LEU A 22 8.146 5.286 -3.660 1.00 2.89 C ATOM 311 CD1 LEU A 22 9.014 4.152 -4.211 1.00 3.02 C ATOM 312 CD2 LEU A 22 7.025 5.571 -4.668 1.00 4.28 C ATOM 0 H LEU A 22 7.193 4.953 0.259 1.00 1.63 H new ATOM 0 HA LEU A 22 8.963 3.480 -1.619 1.00 1.85 H new ATOM 0 HB2 LEU A 22 6.720 4.215 -2.456 1.00 2.15 H new ATOM 0 HB3 LEU A 22 7.046 5.844 -1.897 1.00 2.15 H new ATOM 0 HG LEU A 22 8.788 6.154 -3.512 1.00 2.89 H new ATOM 0 HD11 LEU A 22 9.433 4.449 -5.172 1.00 3.02 H new ATOM 0 HD12 LEU A 22 9.823 3.941 -3.512 1.00 3.02 H new ATOM 0 HD13 LEU A 22 8.405 3.258 -4.341 1.00 3.02 H new ATOM 0 HD21 LEU A 22 7.460 5.814 -5.637 1.00 4.28 H new ATOM 0 HD22 LEU A 22 6.391 4.690 -4.766 1.00 4.28 H new ATOM 0 HD23 LEU A 22 6.426 6.412 -4.318 1.00 4.28 H new ATOM 324 N GLU A 23 10.805 5.196 -1.461 1.00 1.63 N ATOM 325 CA GLU A 23 11.889 6.179 -1.521 1.00 1.59 C ATOM 326 C GLU A 23 12.070 6.704 -2.956 1.00 1.41 C ATOM 327 O GLU A 23 11.406 6.263 -3.891 1.00 1.85 O ATOM 328 CB GLU A 23 13.198 5.592 -0.937 1.00 2.19 C ATOM 329 CG GLU A 23 13.473 4.092 -1.153 1.00 3.76 C ATOM 330 CD GLU A 23 13.295 3.626 -2.595 1.00 5.80 C ATOM 331 OE1 GLU A 23 14.244 3.816 -3.387 1.00 6.76 O ATOM 332 OE2 GLU A 23 12.197 3.087 -2.861 1.00 6.97 O ATOM 0 H GLU A 23 11.065 4.301 -1.876 1.00 1.63 H new ATOM 0 HA GLU A 23 11.621 7.034 -0.900 1.00 1.59 H new ATOM 0 HB2 GLU A 23 14.033 6.150 -1.361 1.00 2.19 H new ATOM 0 HB3 GLU A 23 13.200 5.781 0.136 1.00 2.19 H new ATOM 0 HG2 GLU A 23 14.492 3.871 -0.834 1.00 3.76 H new ATOM 0 HG3 GLU A 23 12.806 3.516 -0.512 1.00 3.76 H new ATOM 339 N ASN A 24 12.955 7.680 -3.139 1.00 1.44 N ATOM 340 CA ASN A 24 13.443 8.066 -4.457 1.00 1.35 C ATOM 341 C ASN A 24 14.906 8.528 -4.354 1.00 1.44 C ATOM 342 O ASN A 24 15.163 9.643 -3.889 1.00 1.39 O ATOM 343 CB ASN A 24 12.553 9.167 -5.043 1.00 1.23 C ATOM 344 CG ASN A 24 12.881 9.434 -6.507 1.00 1.21 C ATOM 345 OD1 ASN A 24 13.861 8.956 -7.063 1.00 1.83 O ATOM 346 ND2 ASN A 24 12.064 10.218 -7.175 1.00 1.03 N ATOM 0 H ASN A 24 13.354 8.226 -2.375 1.00 1.44 H new ATOM 0 HA ASN A 24 13.402 7.207 -5.127 1.00 1.35 H new ATOM 0 HB2 ASN A 24 11.506 8.877 -4.951 1.00 1.23 H new ATOM 0 HB3 ASN A 24 12.681 10.084 -4.468 1.00 1.23 H new ATOM 0 HD21 ASN A 24 12.247 10.428 -8.156 1.00 1.03 H new ATOM 0 HD22 ASN A 24 11.247 10.617 -6.712 1.00 1.03 H new ATOM 353 N PRO A 25 15.883 7.704 -4.767 1.00 1.65 N ATOM 354 CA PRO A 25 17.294 8.078 -4.753 1.00 1.80 C ATOM 355 C PRO A 25 17.700 8.955 -5.945 1.00 1.71 C ATOM 356 O PRO A 25 18.782 9.543 -5.915 1.00 1.82 O ATOM 357 CB PRO A 25 18.044 6.740 -4.765 1.00 2.07 C ATOM 358 CG PRO A 25 17.107 5.831 -5.562 1.00 2.03 C ATOM 359 CD PRO A 25 15.725 6.301 -5.123 1.00 1.82 C ATOM 0 HA PRO A 25 17.528 8.689 -3.881 1.00 1.80 H new ATOM 0 HB2 PRO A 25 19.021 6.829 -5.240 1.00 2.07 H new ATOM 0 HB3 PRO A 25 18.213 6.362 -3.757 1.00 2.07 H new ATOM 0 HG2 PRO A 25 17.250 5.945 -6.636 1.00 2.03 H new ATOM 0 HG3 PRO A 25 17.269 4.779 -5.329 1.00 2.03 H new ATOM 0 HD2 PRO A 25 14.997 6.180 -5.925 1.00 1.82 H new ATOM 0 HD3 PRO A 25 15.365 5.720 -4.274 1.00 1.82 H new ATOM 367 N GLY A 26 16.865 9.061 -6.986 1.00 1.56 N ATOM 368 CA GLY A 26 17.149 9.829 -8.188 1.00 1.52 C ATOM 369 C GLY A 26 16.843 11.310 -8.027 1.00 1.24 C ATOM 370 O GLY A 26 16.428 11.793 -6.975 1.00 1.35 O ATOM 0 H GLY A 26 15.954 8.602 -7.009 1.00 1.56 H new ATOM 0 HA2 GLY A 26 18.199 9.706 -8.452 1.00 1.52 H new ATOM 0 HA3 GLY A 26 16.563 9.429 -9.016 1.00 1.52 H new ATOM 374 N ASP A 27 17.104 12.027 -9.110 1.00 1.31 N ATOM 375 CA ASP A 27 17.052 13.481 -9.258 1.00 1.54 C ATOM 376 C ASP A 27 15.811 13.933 -10.050 1.00 1.47 C ATOM 377 O ASP A 27 15.541 15.120 -10.211 1.00 1.68 O ATOM 378 CB ASP A 27 18.352 13.839 -9.980 1.00 2.04 C ATOM 379 CG ASP A 27 19.561 13.545 -9.087 1.00 2.41 C ATOM 380 OD1 ASP A 27 19.931 14.417 -8.275 1.00 3.05 O ATOM 381 OD2 ASP A 27 20.014 12.379 -9.061 1.00 3.11 O ATOM 0 H ASP A 27 17.380 11.574 -9.981 1.00 1.31 H new ATOM 0 HA ASP A 27 16.965 13.988 -8.297 1.00 1.54 H new ATOM 0 HB2 ASP A 27 18.429 13.269 -10.906 1.00 2.04 H new ATOM 0 HB3 ASP A 27 18.344 14.894 -10.255 1.00 2.04 H new ATOM 386 N LEU A 28 15.037 12.948 -10.504 1.00 1.26 N ATOM 387 CA LEU A 28 13.763 13.048 -11.210 1.00 1.17 C ATOM 388 C LEU A 28 12.677 12.270 -10.443 1.00 0.97 C ATOM 389 O LEU A 28 13.022 11.409 -9.626 1.00 0.98 O ATOM 390 CB LEU A 28 14.004 12.591 -12.663 1.00 1.41 C ATOM 391 CG LEU A 28 14.455 11.126 -12.880 1.00 1.91 C ATOM 392 CD1 LEU A 28 13.296 10.117 -12.855 1.00 2.68 C ATOM 393 CD2 LEU A 28 15.160 11.010 -14.239 1.00 2.64 C ATOM 0 H LEU A 28 15.311 11.974 -10.375 1.00 1.26 H new ATOM 0 HA LEU A 28 13.383 14.069 -11.256 1.00 1.17 H new ATOM 0 HB2 LEU A 28 13.082 12.747 -13.223 1.00 1.41 H new ATOM 0 HB3 LEU A 28 14.758 13.245 -13.102 1.00 1.41 H new ATOM 0 HG LEU A 28 15.121 10.883 -12.052 1.00 1.91 H new ATOM 0 HD11 LEU A 28 13.686 9.111 -13.013 1.00 2.68 H new ATOM 0 HD12 LEU A 28 12.794 10.164 -11.889 1.00 2.68 H new ATOM 0 HD13 LEU A 28 12.585 10.359 -13.645 1.00 2.68 H new ATOM 0 HD21 LEU A 28 15.480 9.980 -14.396 1.00 2.64 H new ATOM 0 HD22 LEU A 28 14.471 11.302 -15.032 1.00 2.64 H new ATOM 0 HD23 LEU A 28 16.030 11.666 -14.255 1.00 2.64 H new ATOM 405 N PRO A 29 11.377 12.546 -10.650 1.00 0.89 N ATOM 406 CA PRO A 29 10.317 11.969 -9.836 1.00 0.76 C ATOM 407 C PRO A 29 10.013 10.516 -10.226 1.00 0.75 C ATOM 408 O PRO A 29 10.162 10.114 -11.383 1.00 0.88 O ATOM 409 CB PRO A 29 9.108 12.885 -10.032 1.00 0.82 C ATOM 410 CG PRO A 29 9.306 13.427 -11.446 1.00 0.97 C ATOM 411 CD PRO A 29 10.827 13.493 -11.608 1.00 1.03 C ATOM 0 HA PRO A 29 10.607 11.915 -8.787 1.00 0.76 H new ATOM 0 HB2 PRO A 29 8.170 12.339 -9.938 1.00 0.82 H new ATOM 0 HB3 PRO A 29 9.086 13.686 -9.293 1.00 0.82 H new ATOM 0 HG2 PRO A 29 8.853 12.773 -12.191 1.00 0.97 H new ATOM 0 HG3 PRO A 29 8.849 14.409 -11.564 1.00 0.97 H new ATOM 0 HD2 PRO A 29 11.122 13.234 -12.625 1.00 1.03 H new ATOM 0 HD3 PRO A 29 11.196 14.500 -11.416 1.00 1.03 H new ATOM 419 N LEU A 30 9.547 9.741 -9.243 1.00 0.72 N ATOM 420 CA LEU A 30 8.962 8.414 -9.420 1.00 0.72 C ATOM 421 C LEU A 30 7.443 8.492 -9.382 1.00 0.67 C ATOM 422 O LEU A 30 6.848 9.363 -8.749 1.00 0.73 O ATOM 423 CB LEU A 30 9.453 7.446 -8.325 1.00 0.81 C ATOM 424 CG LEU A 30 10.854 6.880 -8.604 1.00 0.92 C ATOM 425 CD1 LEU A 30 11.408 6.204 -7.348 1.00 1.66 C ATOM 426 CD2 LEU A 30 10.879 5.850 -9.742 1.00 2.13 C ATOM 0 H LEU A 30 9.569 10.034 -8.266 1.00 0.72 H new ATOM 0 HA LEU A 30 9.279 8.037 -10.392 1.00 0.72 H new ATOM 0 HB2 LEU A 30 9.462 7.965 -7.367 1.00 0.81 H new ATOM 0 HB3 LEU A 30 8.746 6.621 -8.234 1.00 0.81 H new ATOM 0 HG LEU A 30 11.465 7.732 -8.903 1.00 0.92 H new ATOM 0 HD11 LEU A 30 12.401 5.806 -7.557 1.00 1.66 H new ATOM 0 HD12 LEU A 30 11.471 6.933 -6.540 1.00 1.66 H new ATOM 0 HD13 LEU A 30 10.746 5.390 -7.051 1.00 1.66 H new ATOM 0 HD21 LEU A 30 11.898 5.491 -9.886 1.00 2.13 H new ATOM 0 HD22 LEU A 30 10.232 5.011 -9.487 1.00 2.13 H new ATOM 0 HD23 LEU A 30 10.525 6.315 -10.662 1.00 2.13 H new ATOM 438 N ARG A 31 6.840 7.490 -10.015 1.00 0.60 N ATOM 439 CA ARG A 31 5.388 7.284 -10.050 1.00 0.49 C ATOM 440 C ARG A 31 5.062 5.808 -9.906 1.00 0.49 C ATOM 441 O ARG A 31 5.510 5.005 -10.726 1.00 0.53 O ATOM 442 CB ARG A 31 4.812 7.820 -11.362 1.00 0.51 C ATOM 443 CG ARG A 31 3.279 7.898 -11.295 1.00 0.55 C ATOM 444 CD ARG A 31 2.677 8.655 -12.478 1.00 0.68 C ATOM 445 NE ARG A 31 2.912 10.103 -12.357 1.00 1.11 N ATOM 446 CZ ARG A 31 2.406 11.059 -13.116 1.00 1.55 C ATOM 447 NH1 ARG A 31 1.627 10.788 -14.143 1.00 2.23 N ATOM 448 NH2 ARG A 31 2.684 12.310 -12.855 1.00 2.21 N ATOM 0 H ARG A 31 7.357 6.779 -10.532 1.00 0.60 H new ATOM 0 HA ARG A 31 4.939 7.826 -9.218 1.00 0.49 H new ATOM 0 HB2 ARG A 31 5.222 8.809 -11.567 1.00 0.51 H new ATOM 0 HB3 ARG A 31 5.112 7.173 -12.187 1.00 0.51 H new ATOM 0 HG2 ARG A 31 2.868 6.889 -11.267 1.00 0.55 H new ATOM 0 HG3 ARG A 31 2.984 8.388 -10.367 1.00 0.55 H new ATOM 0 HD2 ARG A 31 3.113 8.289 -13.407 1.00 0.68 H new ATOM 0 HD3 ARG A 31 1.606 8.461 -12.531 1.00 0.68 H new ATOM 0 HE ARG A 31 3.533 10.401 -11.605 1.00 1.11 H new ATOM 0 HH11 ARG A 31 1.400 9.820 -14.370 1.00 2.23 H new ATOM 0 HH12 ARG A 31 1.250 11.546 -14.712 1.00 2.23 H new ATOM 0 HH21 ARG A 31 3.289 12.545 -12.068 1.00 2.21 H new ATOM 0 HH22 ARG A 31 2.296 13.051 -13.438 1.00 2.21 H new ATOM 462 N LEU A 32 4.304 5.451 -8.876 1.00 0.53 N ATOM 463 CA LEU A 32 4.010 4.085 -8.441 1.00 0.50 C ATOM 464 C LEU A 32 2.576 3.759 -8.851 1.00 0.43 C ATOM 465 O LEU A 32 1.647 4.398 -8.377 1.00 0.44 O ATOM 466 CB LEU A 32 4.224 4.076 -6.921 1.00 0.53 C ATOM 467 CG LEU A 32 4.312 2.727 -6.171 1.00 0.71 C ATOM 468 CD1 LEU A 32 3.995 2.934 -4.679 1.00 1.55 C ATOM 469 CD2 LEU A 32 3.400 1.618 -6.694 1.00 1.85 C ATOM 0 H LEU A 32 3.850 6.147 -8.285 1.00 0.53 H new ATOM 0 HA LEU A 32 4.648 3.325 -8.893 1.00 0.50 H new ATOM 0 HB2 LEU A 32 5.145 4.623 -6.718 1.00 0.53 H new ATOM 0 HB3 LEU A 32 3.410 4.646 -6.473 1.00 0.53 H new ATOM 0 HG LEU A 32 5.335 2.392 -6.340 1.00 0.71 H new ATOM 0 HD11 LEU A 32 4.059 1.979 -4.158 1.00 1.55 H new ATOM 0 HD12 LEU A 32 4.713 3.632 -4.248 1.00 1.55 H new ATOM 0 HD13 LEU A 32 2.988 3.338 -4.574 1.00 1.55 H new ATOM 0 HD21 LEU A 32 3.543 0.718 -6.096 1.00 1.85 H new ATOM 0 HD22 LEU A 32 2.361 1.939 -6.625 1.00 1.85 H new ATOM 0 HD23 LEU A 32 3.645 1.405 -7.735 1.00 1.85 H new ATOM 481 N VAL A 33 2.407 2.784 -9.736 1.00 0.45 N ATOM 482 CA VAL A 33 1.145 2.529 -10.456 1.00 0.43 C ATOM 483 C VAL A 33 0.501 1.177 -10.076 1.00 0.45 C ATOM 484 O VAL A 33 -0.697 0.995 -10.280 1.00 0.51 O ATOM 485 CB VAL A 33 1.365 2.603 -11.994 1.00 0.43 C ATOM 486 CG1 VAL A 33 1.996 3.946 -12.425 1.00 0.47 C ATOM 487 CG2 VAL A 33 2.280 1.493 -12.552 1.00 0.48 C ATOM 0 H VAL A 33 3.151 2.132 -9.985 1.00 0.45 H new ATOM 0 HA VAL A 33 0.451 3.312 -10.151 1.00 0.43 H new ATOM 0 HB VAL A 33 0.361 2.484 -12.401 1.00 0.43 H new ATOM 0 HG11 VAL A 33 2.132 3.954 -13.506 1.00 0.47 H new ATOM 0 HG12 VAL A 33 1.339 4.766 -12.136 1.00 0.47 H new ATOM 0 HG13 VAL A 33 2.963 4.067 -11.937 1.00 0.47 H new ATOM 0 HG21 VAL A 33 2.383 1.614 -13.630 1.00 0.48 H new ATOM 0 HG22 VAL A 33 3.262 1.561 -12.084 1.00 0.48 H new ATOM 0 HG23 VAL A 33 1.842 0.518 -12.337 1.00 0.48 H new ATOM 497 N GLY A 34 1.279 0.219 -9.546 1.00 0.46 N ATOM 498 CA GLY A 34 0.796 -1.092 -9.082 1.00 0.50 C ATOM 499 C GLY A 34 1.758 -1.781 -8.117 1.00 0.54 C ATOM 500 O GLY A 34 2.802 -1.240 -7.767 1.00 0.55 O ATOM 0 H GLY A 34 2.285 0.337 -9.425 1.00 0.46 H new ATOM 0 HA2 GLY A 34 -0.169 -0.964 -8.592 1.00 0.50 H new ATOM 0 HA3 GLY A 34 0.633 -1.738 -9.945 1.00 0.50 H new ATOM 504 N ALA A 35 1.428 -3.009 -7.725 1.00 0.59 N ATOM 505 CA ALA A 35 2.326 -3.886 -6.978 1.00 0.59 C ATOM 506 C ALA A 35 2.171 -5.358 -7.393 1.00 0.60 C ATOM 507 O ALA A 35 1.319 -5.704 -8.214 1.00 0.70 O ATOM 508 CB ALA A 35 2.117 -3.645 -5.472 1.00 0.51 C ATOM 0 H ALA A 35 0.519 -3.428 -7.919 1.00 0.59 H new ATOM 0 HA ALA A 35 3.361 -3.642 -7.217 1.00 0.59 H new ATOM 0 HB1 ALA A 35 2.783 -4.295 -4.904 1.00 0.51 H new ATOM 0 HB2 ALA A 35 2.338 -2.604 -5.236 1.00 0.51 H new ATOM 0 HB3 ALA A 35 1.083 -3.865 -5.208 1.00 0.51 H new ATOM 514 N ARG A 36 3.010 -6.208 -6.801 1.00 0.57 N ATOM 515 CA ARG A 36 3.092 -7.670 -6.912 1.00 0.58 C ATOM 516 C ARG A 36 3.589 -8.223 -5.559 1.00 0.57 C ATOM 517 O ARG A 36 4.286 -7.528 -4.827 1.00 0.69 O ATOM 518 CB ARG A 36 4.069 -8.038 -8.053 1.00 0.61 C ATOM 519 CG ARG A 36 3.447 -8.112 -9.461 1.00 1.38 C ATOM 520 CD ARG A 36 2.992 -9.513 -9.901 1.00 2.05 C ATOM 521 NE ARG A 36 1.870 -10.039 -9.100 1.00 3.02 N ATOM 522 CZ ARG A 36 1.945 -10.884 -8.077 1.00 4.02 C ATOM 523 NH1 ARG A 36 3.087 -11.379 -7.653 1.00 4.17 N ATOM 524 NH2 ARG A 36 0.852 -11.235 -7.439 1.00 5.56 N ATOM 0 H ARG A 36 3.725 -5.855 -6.165 1.00 0.57 H new ATOM 0 HA ARG A 36 2.119 -8.103 -7.144 1.00 0.58 H new ATOM 0 HB2 ARG A 36 4.875 -7.304 -8.069 1.00 0.61 H new ATOM 0 HB3 ARG A 36 4.521 -9.003 -7.823 1.00 0.61 H new ATOM 0 HG2 ARG A 36 2.589 -7.440 -9.498 1.00 1.38 H new ATOM 0 HG3 ARG A 36 4.174 -7.740 -10.183 1.00 1.38 H new ATOM 0 HD2 ARG A 36 2.697 -9.479 -10.950 1.00 2.05 H new ATOM 0 HD3 ARG A 36 3.835 -10.201 -9.829 1.00 2.05 H new ATOM 0 HE ARG A 36 0.937 -9.720 -9.359 1.00 3.02 H new ATOM 0 HH11 ARG A 36 3.959 -11.117 -8.113 1.00 4.17 H new ATOM 0 HH12 ARG A 36 3.101 -12.025 -6.864 1.00 4.17 H new ATOM 0 HH21 ARG A 36 -0.051 -10.859 -7.729 1.00 5.56 H new ATOM 0 HH22 ARG A 36 0.906 -11.883 -6.653 1.00 5.56 H new ATOM 538 N THR A 37 3.242 -9.471 -5.232 1.00 0.54 N ATOM 539 CA THR A 37 3.585 -10.197 -3.988 1.00 0.56 C ATOM 540 C THR A 37 3.248 -11.683 -4.152 1.00 0.59 C ATOM 541 O THR A 37 2.363 -11.989 -4.958 1.00 0.61 O ATOM 542 CB THR A 37 2.871 -9.577 -2.770 1.00 0.56 C ATOM 543 OG1 THR A 37 2.990 -10.401 -1.642 1.00 0.67 O ATOM 544 CG2 THR A 37 1.375 -9.328 -2.970 1.00 0.52 C ATOM 0 H THR A 37 2.680 -10.044 -5.862 1.00 0.54 H new ATOM 0 HA THR A 37 4.656 -10.107 -3.804 1.00 0.56 H new ATOM 0 HB THR A 37 3.370 -8.617 -2.635 1.00 0.56 H new ATOM 0 HG1 THR A 37 3.765 -10.120 -1.112 1.00 0.67 H new ATOM 0 HG21 THR A 37 0.955 -8.891 -2.064 1.00 0.52 H new ATOM 0 HG22 THR A 37 1.229 -8.643 -3.805 1.00 0.52 H new ATOM 0 HG23 THR A 37 0.874 -10.272 -3.183 1.00 0.52 H new ATOM 552 N PRO A 38 3.909 -12.618 -3.444 1.00 0.67 N ATOM 553 CA PRO A 38 3.621 -14.047 -3.555 1.00 0.73 C ATOM 554 C PRO A 38 2.323 -14.482 -2.869 1.00 0.73 C ATOM 555 O PRO A 38 1.816 -15.553 -3.187 1.00 0.86 O ATOM 556 CB PRO A 38 4.833 -14.749 -2.943 1.00 0.82 C ATOM 557 CG PRO A 38 5.425 -13.731 -1.974 1.00 0.80 C ATOM 558 CD PRO A 38 5.111 -12.403 -2.653 1.00 0.75 C ATOM 0 HA PRO A 38 3.460 -14.312 -4.600 1.00 0.73 H new ATOM 0 HB2 PRO A 38 4.541 -15.663 -2.427 1.00 0.82 H new ATOM 0 HB3 PRO A 38 5.555 -15.032 -3.709 1.00 0.82 H new ATOM 0 HG2 PRO A 38 4.969 -13.799 -0.986 1.00 0.80 H new ATOM 0 HG3 PRO A 38 6.497 -13.874 -1.841 1.00 0.80 H new ATOM 0 HD2 PRO A 38 4.954 -11.617 -1.914 1.00 0.75 H new ATOM 0 HD3 PRO A 38 5.940 -12.085 -3.285 1.00 0.75 H new ATOM 566 N VAL A 39 1.778 -13.680 -1.947 1.00 0.69 N ATOM 567 CA VAL A 39 0.629 -14.059 -1.098 1.00 0.70 C ATOM 568 C VAL A 39 -0.683 -13.344 -1.438 1.00 0.59 C ATOM 569 O VAL A 39 -1.627 -13.363 -0.654 1.00 0.64 O ATOM 570 CB VAL A 39 0.985 -13.922 0.399 1.00 0.79 C ATOM 571 CG1 VAL A 39 2.147 -14.851 0.785 1.00 0.96 C ATOM 572 CG2 VAL A 39 1.310 -12.474 0.774 1.00 0.78 C ATOM 0 H VAL A 39 2.122 -12.738 -1.763 1.00 0.69 H new ATOM 0 HA VAL A 39 0.433 -15.108 -1.321 1.00 0.70 H new ATOM 0 HB VAL A 39 0.103 -14.224 0.964 1.00 0.79 H new ATOM 0 HG11 VAL A 39 2.373 -14.730 1.845 1.00 0.96 H new ATOM 0 HG12 VAL A 39 1.866 -15.886 0.589 1.00 0.96 H new ATOM 0 HG13 VAL A 39 3.028 -14.597 0.195 1.00 0.96 H new ATOM 0 HG21 VAL A 39 1.555 -12.419 1.835 1.00 0.78 H new ATOM 0 HG22 VAL A 39 2.161 -12.128 0.187 1.00 0.78 H new ATOM 0 HG23 VAL A 39 0.446 -11.842 0.568 1.00 0.78 H new ATOM 582 N ALA A 40 -0.773 -12.810 -2.654 1.00 0.52 N ATOM 583 CA ALA A 40 -1.989 -12.321 -3.300 1.00 0.47 C ATOM 584 C ALA A 40 -1.824 -12.507 -4.811 1.00 0.57 C ATOM 585 O ALA A 40 -0.709 -12.508 -5.337 1.00 0.79 O ATOM 586 CB ALA A 40 -2.205 -10.854 -2.922 1.00 0.47 C ATOM 0 H ALA A 40 0.048 -12.701 -3.249 1.00 0.52 H new ATOM 0 HA ALA A 40 -2.869 -12.875 -2.972 1.00 0.47 H new ATOM 0 HB1 ALA A 40 -3.111 -10.484 -3.402 1.00 0.47 H new ATOM 0 HB2 ALA A 40 -2.306 -10.768 -1.840 1.00 0.47 H new ATOM 0 HB3 ALA A 40 -1.352 -10.263 -3.255 1.00 0.47 H new ATOM 592 N GLU A 41 -2.935 -12.706 -5.504 1.00 0.62 N ATOM 593 CA GLU A 41 -2.958 -12.929 -6.945 1.00 0.77 C ATOM 594 C GLU A 41 -2.828 -11.590 -7.677 1.00 0.89 C ATOM 595 O GLU A 41 -1.833 -11.317 -8.353 1.00 1.38 O ATOM 596 CB GLU A 41 -4.291 -13.615 -7.249 1.00 0.86 C ATOM 597 CG GLU A 41 -4.437 -14.120 -8.686 1.00 1.08 C ATOM 598 CD GLU A 41 -5.906 -14.425 -8.972 1.00 2.29 C ATOM 599 OE1 GLU A 41 -6.678 -14.616 -8.003 1.00 3.31 O ATOM 600 OE2 GLU A 41 -6.312 -14.300 -10.140 1.00 3.63 O ATOM 0 H GLU A 41 -3.861 -12.718 -5.076 1.00 0.62 H new ATOM 0 HA GLU A 41 -2.129 -13.552 -7.280 1.00 0.77 H new ATOM 0 HB2 GLU A 41 -4.414 -14.457 -6.568 1.00 0.86 H new ATOM 0 HB3 GLU A 41 -5.100 -12.915 -7.040 1.00 0.86 H new ATOM 0 HG2 GLU A 41 -4.067 -13.370 -9.386 1.00 1.08 H new ATOM 0 HG3 GLU A 41 -3.834 -15.016 -8.831 1.00 1.08 H new ATOM 607 N ARG A 42 -3.820 -10.728 -7.453 1.00 0.77 N ATOM 608 CA ARG A 42 -3.859 -9.337 -7.856 1.00 0.86 C ATOM 609 C ARG A 42 -3.637 -8.491 -6.604 1.00 0.75 C ATOM 610 O ARG A 42 -3.672 -8.971 -5.471 1.00 1.13 O ATOM 611 CB ARG A 42 -5.209 -9.044 -8.551 1.00 1.08 C ATOM 612 CG ARG A 42 -6.402 -9.062 -7.573 1.00 2.03 C ATOM 613 CD ARG A 42 -7.805 -9.023 -8.205 1.00 2.13 C ATOM 614 NE ARG A 42 -8.018 -10.060 -9.234 1.00 2.58 N ATOM 615 CZ ARG A 42 -7.874 -11.378 -9.129 1.00 3.77 C ATOM 616 NH1 ARG A 42 -7.682 -12.001 -7.984 1.00 4.89 N ATOM 617 NH2 ARG A 42 -7.891 -12.096 -10.225 1.00 4.64 N ATOM 0 H ARG A 42 -4.665 -11.007 -6.955 1.00 0.77 H new ATOM 0 HA ARG A 42 -3.079 -9.096 -8.578 1.00 0.86 H new ATOM 0 HB2 ARG A 42 -5.158 -8.070 -9.037 1.00 1.08 H new ATOM 0 HB3 ARG A 42 -5.377 -9.783 -9.335 1.00 1.08 H new ATOM 0 HG2 ARG A 42 -6.328 -9.960 -6.960 1.00 2.03 H new ATOM 0 HG3 ARG A 42 -6.306 -8.209 -6.901 1.00 2.03 H new ATOM 0 HD2 ARG A 42 -8.552 -9.143 -7.420 1.00 2.13 H new ATOM 0 HD3 ARG A 42 -7.966 -8.042 -8.651 1.00 2.13 H new ATOM 0 HE ARG A 42 -8.316 -9.720 -10.148 1.00 2.58 H new ATOM 0 HH11 ARG A 42 -7.637 -11.469 -7.115 1.00 4.89 H new ATOM 0 HH12 ARG A 42 -7.578 -13.016 -7.967 1.00 4.89 H new ATOM 0 HH21 ARG A 42 -8.013 -11.642 -11.130 1.00 4.64 H new ATOM 0 HH22 ARG A 42 -7.783 -13.109 -10.173 1.00 4.64 H new ATOM 631 N VAL A 43 -3.482 -7.205 -6.829 1.00 0.49 N ATOM 632 CA VAL A 43 -3.442 -6.178 -5.800 1.00 0.47 C ATOM 633 C VAL A 43 -3.958 -4.885 -6.427 1.00 0.57 C ATOM 634 O VAL A 43 -3.631 -4.583 -7.575 1.00 0.85 O ATOM 635 CB VAL A 43 -2.025 -6.055 -5.214 1.00 0.64 C ATOM 636 CG1 VAL A 43 -0.979 -5.583 -6.228 1.00 0.89 C ATOM 637 CG2 VAL A 43 -1.989 -5.170 -3.968 1.00 0.95 C ATOM 0 H VAL A 43 -3.376 -6.826 -7.770 1.00 0.49 H new ATOM 0 HA VAL A 43 -4.080 -6.431 -4.953 1.00 0.47 H new ATOM 0 HB VAL A 43 -1.755 -7.071 -4.927 1.00 0.64 H new ATOM 0 HG11 VAL A 43 -0.005 -5.520 -5.743 1.00 0.89 H new ATOM 0 HG12 VAL A 43 -0.928 -6.292 -7.055 1.00 0.89 H new ATOM 0 HG13 VAL A 43 -1.259 -4.601 -6.609 1.00 0.89 H new ATOM 0 HG21 VAL A 43 -0.968 -5.114 -3.591 1.00 0.95 H new ATOM 0 HG22 VAL A 43 -2.337 -4.169 -4.222 1.00 0.95 H new ATOM 0 HG23 VAL A 43 -2.636 -5.595 -3.201 1.00 0.95 H new ATOM 647 N GLU A 44 -4.813 -4.181 -5.698 1.00 0.59 N ATOM 648 CA GLU A 44 -5.393 -2.893 -6.078 1.00 0.56 C ATOM 649 C GLU A 44 -4.740 -1.780 -5.263 1.00 0.44 C ATOM 650 O GLU A 44 -4.352 -1.995 -4.114 1.00 0.55 O ATOM 651 CB GLU A 44 -6.904 -2.887 -5.804 1.00 0.80 C ATOM 652 CG GLU A 44 -7.686 -3.866 -6.691 1.00 1.28 C ATOM 653 CD GLU A 44 -9.092 -4.106 -6.142 1.00 2.00 C ATOM 654 OE1 GLU A 44 -9.735 -3.104 -5.741 1.00 2.80 O ATOM 655 OE2 GLU A 44 -9.483 -5.296 -6.109 1.00 3.03 O ATOM 0 H GLU A 44 -5.137 -4.503 -4.786 1.00 0.59 H new ATOM 0 HA GLU A 44 -5.218 -2.732 -7.142 1.00 0.56 H new ATOM 0 HB2 GLU A 44 -7.077 -3.138 -4.758 1.00 0.80 H new ATOM 0 HB3 GLU A 44 -7.290 -1.880 -5.959 1.00 0.80 H new ATOM 0 HG2 GLU A 44 -7.751 -3.470 -7.705 1.00 1.28 H new ATOM 0 HG3 GLU A 44 -7.150 -4.813 -6.752 1.00 1.28 H new ATOM 662 N LEU A 45 -4.646 -0.579 -5.828 1.00 0.47 N ATOM 663 CA LEU A 45 -4.136 0.603 -5.138 1.00 0.45 C ATOM 664 C LEU A 45 -5.306 1.507 -4.732 1.00 0.40 C ATOM 665 O LEU A 45 -6.063 1.965 -5.592 1.00 0.42 O ATOM 666 CB LEU A 45 -3.135 1.277 -6.087 1.00 0.63 C ATOM 667 CG LEU A 45 -2.491 2.561 -5.539 1.00 0.51 C ATOM 668 CD1 LEU A 45 -1.627 2.346 -4.291 1.00 0.72 C ATOM 669 CD2 LEU A 45 -1.606 3.131 -6.644 1.00 0.88 C ATOM 0 H LEU A 45 -4.926 -0.397 -6.792 1.00 0.47 H new ATOM 0 HA LEU A 45 -3.619 0.357 -4.211 1.00 0.45 H new ATOM 0 HB2 LEU A 45 -2.345 0.564 -6.325 1.00 0.63 H new ATOM 0 HB3 LEU A 45 -3.644 1.513 -7.022 1.00 0.63 H new ATOM 0 HG LEU A 45 -3.298 3.231 -5.242 1.00 0.51 H new ATOM 0 HD11 LEU A 45 -1.210 3.300 -3.968 1.00 0.72 H new ATOM 0 HD12 LEU A 45 -2.240 1.929 -3.492 1.00 0.72 H new ATOM 0 HD13 LEU A 45 -0.816 1.656 -4.524 1.00 0.72 H new ATOM 0 HD21 LEU A 45 -1.129 4.046 -6.293 1.00 0.88 H new ATOM 0 HD22 LEU A 45 -0.840 2.402 -6.909 1.00 0.88 H new ATOM 0 HD23 LEU A 45 -2.215 3.352 -7.520 1.00 0.88 H new ATOM 681 N HIS A 46 -5.462 1.764 -3.429 1.00 0.40 N ATOM 682 CA HIS A 46 -6.585 2.504 -2.840 1.00 0.39 C ATOM 683 C HIS A 46 -6.159 3.729 -2.005 1.00 0.41 C ATOM 684 O HIS A 46 -5.137 3.737 -1.312 1.00 0.51 O ATOM 685 CB HIS A 46 -7.406 1.574 -1.924 1.00 0.40 C ATOM 686 CG HIS A 46 -8.190 0.431 -2.528 1.00 0.40 C ATOM 687 ND1 HIS A 46 -8.913 -0.482 -1.777 1.00 0.44 N ATOM 688 CD2 HIS A 46 -8.308 0.064 -3.837 1.00 0.42 C ATOM 689 CE1 HIS A 46 -9.440 -1.373 -2.619 1.00 0.48 C ATOM 690 NE2 HIS A 46 -9.103 -1.070 -3.881 1.00 0.47 N ATOM 0 H HIS A 46 -4.787 1.452 -2.731 1.00 0.40 H new ATOM 0 HA HIS A 46 -7.171 2.864 -3.686 1.00 0.39 H new ATOM 0 HB2 HIS A 46 -6.719 1.148 -1.193 1.00 0.40 H new ATOM 0 HB3 HIS A 46 -8.111 2.198 -1.374 1.00 0.40 H new ATOM 0 HD2 HIS A 46 -7.863 0.566 -4.684 1.00 0.42 H new ATOM 0 HE1 HIS A 46 -10.049 -2.215 -2.327 1.00 0.48 H new ATOM 0 HE2 HIS A 46 -9.381 -1.580 -4.719 1.00 0.47 H new ATOM 698 N GLU A 47 -7.043 4.721 -2.004 1.00 0.37 N ATOM 699 CA GLU A 47 -7.081 5.824 -1.042 1.00 0.39 C ATOM 700 C GLU A 47 -8.008 5.494 0.147 1.00 0.47 C ATOM 701 O GLU A 47 -8.939 4.689 0.003 1.00 0.57 O ATOM 702 CB GLU A 47 -7.512 7.111 -1.771 1.00 0.38 C ATOM 703 CG GLU A 47 -8.973 7.076 -2.246 1.00 0.52 C ATOM 704 CD GLU A 47 -9.477 8.350 -2.927 1.00 0.93 C ATOM 705 OE1 GLU A 47 -8.777 8.943 -3.770 1.00 2.03 O ATOM 706 OE2 GLU A 47 -10.666 8.678 -2.727 1.00 1.80 O ATOM 0 H GLU A 47 -7.785 4.784 -2.701 1.00 0.37 H new ATOM 0 HA GLU A 47 -6.086 5.977 -0.623 1.00 0.39 H new ATOM 0 HB2 GLU A 47 -7.373 7.962 -1.105 1.00 0.38 H new ATOM 0 HB3 GLU A 47 -6.861 7.270 -2.631 1.00 0.38 H new ATOM 0 HG2 GLU A 47 -9.091 6.244 -2.940 1.00 0.52 H new ATOM 0 HG3 GLU A 47 -9.611 6.868 -1.387 1.00 0.52 H new ATOM 713 N THR A 48 -7.797 6.151 1.293 1.00 0.60 N ATOM 714 CA THR A 48 -8.722 6.207 2.436 1.00 0.65 C ATOM 715 C THR A 48 -9.055 7.694 2.630 1.00 0.57 C ATOM 716 O THR A 48 -8.181 8.530 2.420 1.00 0.62 O ATOM 717 CB THR A 48 -8.016 5.698 3.699 1.00 0.87 C ATOM 718 OG1 THR A 48 -7.479 4.406 3.552 1.00 1.22 O ATOM 719 CG2 THR A 48 -8.926 5.668 4.927 1.00 0.97 C ATOM 0 H THR A 48 -6.942 6.681 1.459 1.00 0.60 H new ATOM 0 HA THR A 48 -9.609 5.599 2.260 1.00 0.65 H new ATOM 0 HB THR A 48 -7.213 6.420 3.847 1.00 0.87 H new ATOM 0 HG1 THR A 48 -6.793 4.257 4.235 1.00 1.22 H new ATOM 0 HG21 THR A 48 -8.366 5.299 5.786 1.00 0.97 H new ATOM 0 HG22 THR A 48 -9.289 6.674 5.136 1.00 0.97 H new ATOM 0 HG23 THR A 48 -9.773 5.010 4.736 1.00 0.97 H new ATOM 727 N PHE A 49 -10.274 8.039 3.053 1.00 0.66 N ATOM 728 CA PHE A 49 -10.700 9.434 3.247 1.00 0.71 C ATOM 729 C PHE A 49 -11.927 9.561 4.174 1.00 0.61 C ATOM 730 O PHE A 49 -12.367 8.595 4.801 1.00 0.74 O ATOM 731 CB PHE A 49 -10.925 10.113 1.874 1.00 0.86 C ATOM 732 CG PHE A 49 -12.086 9.554 1.078 1.00 0.85 C ATOM 733 CD1 PHE A 49 -11.907 8.397 0.302 1.00 2.02 C ATOM 734 CD2 PHE A 49 -13.350 10.179 1.111 1.00 1.94 C ATOM 735 CE1 PHE A 49 -12.986 7.856 -0.406 1.00 2.09 C ATOM 736 CE2 PHE A 49 -14.431 9.639 0.394 1.00 1.95 C ATOM 737 CZ PHE A 49 -14.250 8.471 -0.369 1.00 1.03 C ATOM 0 H PHE A 49 -11.000 7.357 3.273 1.00 0.66 H new ATOM 0 HA PHE A 49 -9.897 9.961 3.763 1.00 0.71 H new ATOM 0 HB2 PHE A 49 -11.090 11.179 2.033 1.00 0.86 H new ATOM 0 HB3 PHE A 49 -10.015 10.016 1.282 1.00 0.86 H new ATOM 0 HD1 PHE A 49 -10.937 7.925 0.252 1.00 2.02 H new ATOM 0 HD2 PHE A 49 -13.488 11.079 1.692 1.00 1.94 H new ATOM 0 HE1 PHE A 49 -12.846 6.956 -0.987 1.00 2.09 H new ATOM 0 HE2 PHE A 49 -15.398 10.119 0.429 1.00 1.95 H new ATOM 0 HZ PHE A 49 -15.076 8.050 -0.922 1.00 1.03 H new ATOM 747 N MET A 50 -12.492 10.771 4.279 1.00 0.58 N ATOM 748 CA MET A 50 -13.628 11.103 5.147 1.00 0.66 C ATOM 749 C MET A 50 -14.776 11.801 4.399 1.00 0.63 C ATOM 750 O MET A 50 -14.545 12.574 3.473 1.00 0.62 O ATOM 751 CB MET A 50 -13.139 12.002 6.286 1.00 0.81 C ATOM 752 CG MET A 50 -12.113 11.311 7.191 1.00 2.26 C ATOM 753 SD MET A 50 -11.845 12.206 8.741 1.00 2.70 S ATOM 754 CE MET A 50 -12.078 10.854 9.919 1.00 5.10 C ATOM 0 H MET A 50 -12.159 11.573 3.743 1.00 0.58 H new ATOM 0 HA MET A 50 -14.027 10.165 5.532 1.00 0.66 H new ATOM 0 HB2 MET A 50 -12.696 12.905 5.865 1.00 0.81 H new ATOM 0 HB3 MET A 50 -13.993 12.316 6.886 1.00 0.81 H new ATOM 0 HG2 MET A 50 -12.452 10.299 7.413 1.00 2.26 H new ATOM 0 HG3 MET A 50 -11.166 11.220 6.659 1.00 2.26 H new ATOM 0 HE1 MET A 50 -11.948 11.229 10.934 1.00 5.10 H new ATOM 0 HE2 MET A 50 -13.082 10.445 9.809 1.00 5.10 H new ATOM 0 HE3 MET A 50 -11.344 10.072 9.725 1.00 5.10 H new ATOM 764 N ARG A 51 -16.015 11.562 4.845 1.00 0.73 N ATOM 765 CA ARG A 51 -17.244 12.216 4.369 1.00 0.79 C ATOM 766 C ARG A 51 -18.140 12.713 5.512 1.00 0.88 C ATOM 767 O ARG A 51 -18.319 12.044 6.535 1.00 0.91 O ATOM 768 CB ARG A 51 -18.091 11.243 3.520 1.00 1.06 C ATOM 769 CG ARG A 51 -17.849 11.367 2.007 1.00 1.34 C ATOM 770 CD ARG A 51 -19.147 11.174 1.206 1.00 1.80 C ATOM 771 NE ARG A 51 -20.079 12.298 1.422 1.00 3.34 N ATOM 772 CZ ARG A 51 -20.440 13.252 0.573 1.00 4.22 C ATOM 773 NH1 ARG A 51 -20.077 13.273 -0.696 1.00 4.25 N ATOM 774 NH2 ARG A 51 -21.188 14.225 1.043 1.00 5.85 N ATOM 0 H ARG A 51 -16.198 10.878 5.579 1.00 0.73 H new ATOM 0 HA ARG A 51 -16.907 13.069 3.780 1.00 0.79 H new ATOM 0 HB2 ARG A 51 -17.874 10.221 3.831 1.00 1.06 H new ATOM 0 HB3 ARG A 51 -19.147 11.421 3.725 1.00 1.06 H new ATOM 0 HG2 ARG A 51 -17.427 12.347 1.785 1.00 1.34 H new ATOM 0 HG3 ARG A 51 -17.114 10.625 1.694 1.00 1.34 H new ATOM 0 HD2 ARG A 51 -18.914 11.090 0.145 1.00 1.80 H new ATOM 0 HD3 ARG A 51 -19.625 10.240 1.502 1.00 1.80 H new ATOM 0 HE ARG A 51 -20.503 12.348 2.349 1.00 3.34 H new ATOM 0 HH11 ARG A 51 -19.488 12.529 -1.070 1.00 4.25 H new ATOM 0 HH12 ARG A 51 -20.386 14.033 -1.302 1.00 4.25 H new ATOM 0 HH21 ARG A 51 -21.467 14.225 2.024 1.00 5.85 H new ATOM 0 HH22 ARG A 51 -21.489 14.980 0.427 1.00 5.85 H new ATOM 788 N GLU A 52 -18.828 13.824 5.262 1.00 1.02 N ATOM 789 CA GLU A 52 -20.106 14.152 5.857 1.00 1.06 C ATOM 790 C GLU A 52 -21.230 13.544 5.002 1.00 1.15 C ATOM 791 O GLU A 52 -21.154 13.604 3.769 1.00 1.30 O ATOM 792 CB GLU A 52 -20.200 15.676 5.807 1.00 1.26 C ATOM 793 CG GLU A 52 -21.323 16.203 6.679 1.00 1.32 C ATOM 794 CD GLU A 52 -20.842 16.329 8.116 1.00 1.58 C ATOM 795 OE1 GLU A 52 -20.217 17.360 8.447 1.00 2.44 O ATOM 796 OE2 GLU A 52 -21.022 15.344 8.856 1.00 2.12 O ATOM 0 H GLU A 52 -18.494 14.540 4.617 1.00 1.02 H new ATOM 0 HA GLU A 52 -20.198 13.770 6.874 1.00 1.06 H new ATOM 0 HB2 GLU A 52 -19.254 16.109 6.133 1.00 1.26 H new ATOM 0 HB3 GLU A 52 -20.359 15.996 4.777 1.00 1.26 H new ATOM 0 HG2 GLU A 52 -21.657 17.173 6.311 1.00 1.32 H new ATOM 0 HG3 GLU A 52 -22.180 15.531 6.630 1.00 1.32 H new ATOM 803 N VAL A 53 -22.275 13.001 5.621 1.00 1.20 N ATOM 804 CA VAL A 53 -23.544 12.590 4.993 1.00 1.41 C ATOM 805 C VAL A 53 -24.664 12.921 5.988 1.00 1.48 C ATOM 806 O VAL A 53 -24.578 12.496 7.132 1.00 1.89 O ATOM 807 CB VAL A 53 -23.553 11.074 4.653 1.00 1.58 C ATOM 808 CG1 VAL A 53 -24.884 10.659 4.005 1.00 2.09 C ATOM 809 CG2 VAL A 53 -22.416 10.685 3.689 1.00 2.26 C ATOM 0 H VAL A 53 -22.267 12.823 6.625 1.00 1.20 H new ATOM 0 HA VAL A 53 -23.682 13.120 4.051 1.00 1.41 H new ATOM 0 HB VAL A 53 -23.413 10.555 5.601 1.00 1.58 H new ATOM 0 HG11 VAL A 53 -24.861 9.593 3.778 1.00 2.09 H new ATOM 0 HG12 VAL A 53 -25.704 10.866 4.693 1.00 2.09 H new ATOM 0 HG13 VAL A 53 -25.032 11.223 3.084 1.00 2.09 H new ATOM 0 HG21 VAL A 53 -22.464 9.616 3.482 1.00 2.26 H new ATOM 0 HG22 VAL A 53 -22.523 11.241 2.757 1.00 2.26 H new ATOM 0 HG23 VAL A 53 -21.455 10.923 4.145 1.00 2.26 H new ATOM 819 N GLU A 54 -25.651 13.735 5.586 1.00 1.56 N ATOM 820 CA GLU A 54 -26.767 14.242 6.427 1.00 1.70 C ATOM 821 C GLU A 54 -26.332 15.154 7.603 1.00 1.63 C ATOM 822 O GLU A 54 -27.113 15.404 8.518 1.00 1.84 O ATOM 823 CB GLU A 54 -27.630 13.097 6.996 1.00 1.86 C ATOM 824 CG GLU A 54 -28.328 12.137 6.028 1.00 2.18 C ATOM 825 CD GLU A 54 -28.792 10.941 6.862 1.00 2.67 C ATOM 826 OE1 GLU A 54 -29.821 11.041 7.567 1.00 3.31 O ATOM 827 OE2 GLU A 54 -27.993 9.995 7.032 1.00 3.33 O ATOM 0 H GLU A 54 -25.704 14.078 4.627 1.00 1.56 H new ATOM 0 HA GLU A 54 -27.348 14.852 5.735 1.00 1.70 H new ATOM 0 HB2 GLU A 54 -26.994 12.500 7.649 1.00 1.86 H new ATOM 0 HB3 GLU A 54 -28.399 13.546 7.624 1.00 1.86 H new ATOM 0 HG2 GLU A 54 -29.174 12.623 5.542 1.00 2.18 H new ATOM 0 HG3 GLU A 54 -27.647 11.819 5.239 1.00 2.18 H new ATOM 834 N GLY A 55 -25.080 15.619 7.623 1.00 1.48 N ATOM 835 CA GLY A 55 -24.478 16.264 8.806 1.00 1.50 C ATOM 836 C GLY A 55 -23.981 15.258 9.856 1.00 1.34 C ATOM 837 O GLY A 55 -23.887 15.579 11.037 1.00 1.56 O ATOM 0 H GLY A 55 -24.450 15.562 6.822 1.00 1.48 H new ATOM 0 HA2 GLY A 55 -23.643 16.888 8.486 1.00 1.50 H new ATOM 0 HA3 GLY A 55 -25.213 16.925 9.265 1.00 1.50 H new ATOM 841 N LYS A 56 -23.679 14.031 9.424 1.00 1.14 N ATOM 842 CA LYS A 56 -23.126 12.935 10.209 1.00 1.11 C ATOM 843 C LYS A 56 -21.876 12.406 9.486 1.00 1.01 C ATOM 844 O LYS A 56 -21.830 12.250 8.260 1.00 0.99 O ATOM 845 CB LYS A 56 -24.176 11.820 10.401 1.00 1.25 C ATOM 846 CG LYS A 56 -25.403 12.263 11.223 1.00 1.56 C ATOM 847 CD LYS A 56 -26.533 11.218 11.230 1.00 1.75 C ATOM 848 CE LYS A 56 -27.196 11.158 9.849 1.00 2.02 C ATOM 849 NZ LYS A 56 -28.340 10.221 9.762 1.00 2.47 N ATOM 0 H LYS A 56 -23.826 13.764 8.451 1.00 1.14 H new ATOM 0 HA LYS A 56 -22.849 13.288 11.202 1.00 1.11 H new ATOM 0 HB2 LYS A 56 -24.510 11.475 9.423 1.00 1.25 H new ATOM 0 HB3 LYS A 56 -23.705 10.970 10.896 1.00 1.25 H new ATOM 0 HG2 LYS A 56 -25.093 12.462 12.249 1.00 1.56 H new ATOM 0 HG3 LYS A 56 -25.785 13.200 10.818 1.00 1.56 H new ATOM 0 HD2 LYS A 56 -26.133 10.239 11.494 1.00 1.75 H new ATOM 0 HD3 LYS A 56 -27.273 11.475 11.988 1.00 1.75 H new ATOM 0 HE2 LYS A 56 -27.539 12.157 9.580 1.00 2.02 H new ATOM 0 HE3 LYS A 56 -26.447 10.868 9.112 1.00 2.02 H new ATOM 0 HZ1 LYS A 56 -28.060 9.381 9.216 1.00 2.47 H new ATOM 0 HZ2 LYS A 56 -28.625 9.932 10.719 1.00 2.47 H new ATOM 0 HZ3 LYS A 56 -29.139 10.691 9.290 1.00 2.47 H new ATOM 863 N LYS A 57 -20.830 12.134 10.258 1.00 1.20 N ATOM 864 CA LYS A 57 -19.470 11.888 9.765 1.00 1.15 C ATOM 865 C LYS A 57 -19.159 10.390 9.667 1.00 1.13 C ATOM 866 O LYS A 57 -19.267 9.659 10.645 1.00 1.29 O ATOM 867 CB LYS A 57 -18.446 12.670 10.621 1.00 1.30 C ATOM 868 CG LYS A 57 -18.747 14.156 10.399 1.00 1.67 C ATOM 869 CD LYS A 57 -17.907 15.233 11.091 1.00 2.02 C ATOM 870 CE LYS A 57 -18.547 16.500 10.505 1.00 2.68 C ATOM 871 NZ LYS A 57 -18.183 17.780 11.134 1.00 3.24 N ATOM 0 H LYS A 57 -20.901 12.076 11.274 1.00 1.20 H new ATOM 0 HA LYS A 57 -19.393 12.264 8.745 1.00 1.15 H new ATOM 0 HB2 LYS A 57 -18.539 12.408 11.675 1.00 1.30 H new ATOM 0 HB3 LYS A 57 -17.426 12.431 10.322 1.00 1.30 H new ATOM 0 HG2 LYS A 57 -18.685 14.340 9.326 1.00 1.67 H new ATOM 0 HG3 LYS A 57 -19.784 14.321 10.691 1.00 1.67 H new ATOM 0 HD2 LYS A 57 -17.990 15.190 12.177 1.00 2.02 H new ATOM 0 HD3 LYS A 57 -16.847 15.153 10.849 1.00 2.02 H new ATOM 0 HE2 LYS A 57 -18.286 16.555 9.448 1.00 2.68 H new ATOM 0 HE3 LYS A 57 -19.630 16.390 10.561 1.00 2.68 H new ATOM 0 HZ1 LYS A 57 -18.678 18.557 10.651 1.00 3.24 H new ATOM 0 HZ2 LYS A 57 -18.458 17.765 12.137 1.00 3.24 H new ATOM 0 HZ3 LYS A 57 -17.156 17.924 11.059 1.00 3.24 H new ATOM 885 N VAL A 58 -18.768 9.965 8.468 1.00 1.01 N ATOM 886 CA VAL A 58 -18.528 8.565 8.068 1.00 1.06 C ATOM 887 C VAL A 58 -17.328 8.533 7.112 1.00 0.97 C ATOM 888 O VAL A 58 -17.185 9.425 6.283 1.00 1.14 O ATOM 889 CB VAL A 58 -19.776 7.952 7.378 1.00 1.12 C ATOM 890 CG1 VAL A 58 -19.576 6.456 7.080 1.00 2.13 C ATOM 891 CG2 VAL A 58 -21.058 8.101 8.222 1.00 2.22 C ATOM 0 H VAL A 58 -18.599 10.617 7.702 1.00 1.01 H new ATOM 0 HA VAL A 58 -18.322 7.970 8.958 1.00 1.06 H new ATOM 0 HB VAL A 58 -19.895 8.511 6.450 1.00 1.12 H new ATOM 0 HG11 VAL A 58 -20.469 6.059 6.597 1.00 2.13 H new ATOM 0 HG12 VAL A 58 -18.719 6.328 6.419 1.00 2.13 H new ATOM 0 HG13 VAL A 58 -19.399 5.920 8.012 1.00 2.13 H new ATOM 0 HG21 VAL A 58 -21.898 7.654 7.690 1.00 2.22 H new ATOM 0 HG22 VAL A 58 -20.925 7.596 9.179 1.00 2.22 H new ATOM 0 HG23 VAL A 58 -21.259 9.158 8.395 1.00 2.22 H new ATOM 901 N MET A 59 -16.444 7.539 7.235 1.00 0.87 N ATOM 902 CA MET A 59 -15.252 7.411 6.378 1.00 0.75 C ATOM 903 C MET A 59 -15.540 6.752 5.022 1.00 0.68 C ATOM 904 O MET A 59 -16.620 6.209 4.793 1.00 0.75 O ATOM 905 CB MET A 59 -14.109 6.701 7.116 1.00 0.80 C ATOM 906 CG MET A 59 -13.671 7.499 8.351 1.00 1.04 C ATOM 907 SD MET A 59 -11.957 7.244 8.898 1.00 2.17 S ATOM 908 CE MET A 59 -11.743 5.464 8.652 1.00 3.74 C ATOM 0 H MET A 59 -16.531 6.798 7.930 1.00 0.87 H new ATOM 0 HA MET A 59 -14.934 8.429 6.152 1.00 0.75 H new ATOM 0 HB2 MET A 59 -14.430 5.704 7.418 1.00 0.80 H new ATOM 0 HB3 MET A 59 -13.262 6.572 6.443 1.00 0.80 H new ATOM 0 HG2 MET A 59 -13.811 8.560 8.142 1.00 1.04 H new ATOM 0 HG3 MET A 59 -14.336 7.247 9.177 1.00 1.04 H new ATOM 0 HE1 MET A 59 -10.807 5.143 9.110 1.00 3.74 H new ATOM 0 HE2 MET A 59 -12.574 4.930 9.113 1.00 3.74 H new ATOM 0 HE3 MET A 59 -11.719 5.245 7.585 1.00 3.74 H new ATOM 918 N GLY A 60 -14.562 6.832 4.119 1.00 0.66 N ATOM 919 CA GLY A 60 -14.618 6.312 2.757 1.00 0.78 C ATOM 920 C GLY A 60 -13.295 5.704 2.301 1.00 0.63 C ATOM 921 O GLY A 60 -12.251 5.892 2.922 1.00 0.59 O ATOM 0 H GLY A 60 -13.671 7.281 4.329 1.00 0.66 H new ATOM 0 HA2 GLY A 60 -15.401 5.556 2.694 1.00 0.78 H new ATOM 0 HA3 GLY A 60 -14.896 7.117 2.077 1.00 0.78 H new ATOM 925 N MET A 61 -13.352 4.978 1.187 1.00 0.64 N ATOM 926 CA MET A 61 -12.220 4.362 0.503 1.00 0.54 C ATOM 927 C MET A 61 -12.587 4.163 -0.966 1.00 0.53 C ATOM 928 O MET A 61 -13.742 3.881 -1.287 1.00 0.62 O ATOM 929 CB MET A 61 -11.917 3.043 1.224 1.00 0.63 C ATOM 930 CG MET A 61 -10.867 2.165 0.543 1.00 0.66 C ATOM 931 SD MET A 61 -10.921 0.379 0.934 1.00 0.55 S ATOM 932 CE MET A 61 -11.316 0.420 2.697 1.00 1.15 C ATOM 0 H MET A 61 -14.236 4.795 0.713 1.00 0.64 H new ATOM 0 HA MET A 61 -11.325 4.983 0.528 1.00 0.54 H new ATOM 0 HB2 MET A 61 -11.581 3.268 2.236 1.00 0.63 H new ATOM 0 HB3 MET A 61 -12.842 2.474 1.314 1.00 0.63 H new ATOM 0 HG2 MET A 61 -10.972 2.282 -0.536 1.00 0.66 H new ATOM 0 HG3 MET A 61 -9.880 2.543 0.810 1.00 0.66 H new ATOM 0 HE1 MET A 61 -11.191 -0.576 3.121 1.00 1.15 H new ATOM 0 HE2 MET A 61 -10.648 1.116 3.204 1.00 1.15 H new ATOM 0 HE3 MET A 61 -12.348 0.745 2.831 1.00 1.15 H new ATOM 942 N ARG A 62 -11.609 4.327 -1.854 1.00 0.47 N ATOM 943 CA ARG A 62 -11.755 4.196 -3.309 1.00 0.47 C ATOM 944 C ARG A 62 -10.464 3.629 -3.912 1.00 0.43 C ATOM 945 O ARG A 62 -9.407 3.819 -3.307 1.00 0.44 O ATOM 946 CB ARG A 62 -12.023 5.581 -3.925 1.00 0.66 C ATOM 947 CG ARG A 62 -13.467 6.082 -3.768 1.00 1.31 C ATOM 948 CD ARG A 62 -13.748 7.312 -4.650 1.00 1.48 C ATOM 949 NE ARG A 62 -12.707 8.352 -4.514 1.00 2.40 N ATOM 950 CZ ARG A 62 -12.224 9.147 -5.458 1.00 3.29 C ATOM 951 NH1 ARG A 62 -12.838 9.314 -6.612 1.00 3.42 N ATOM 952 NH2 ARG A 62 -11.094 9.780 -5.250 1.00 4.25 N ATOM 0 H ARG A 62 -10.657 4.563 -1.574 1.00 0.47 H new ATOM 0 HA ARG A 62 -12.587 3.525 -3.523 1.00 0.47 H new ATOM 0 HB2 ARG A 62 -11.349 6.305 -3.466 1.00 0.66 H new ATOM 0 HB3 ARG A 62 -11.778 5.546 -4.987 1.00 0.66 H new ATOM 0 HG2 ARG A 62 -14.159 5.282 -4.030 1.00 1.31 H new ATOM 0 HG3 ARG A 62 -13.652 6.334 -2.724 1.00 1.31 H new ATOM 0 HD2 ARG A 62 -13.813 7.001 -5.693 1.00 1.48 H new ATOM 0 HD3 ARG A 62 -14.717 7.734 -4.382 1.00 1.48 H new ATOM 0 HE ARG A 62 -12.313 8.473 -3.581 1.00 2.40 H new ATOM 0 HH11 ARG A 62 -13.712 8.824 -6.800 1.00 3.42 H new ATOM 0 HH12 ARG A 62 -12.439 9.934 -7.317 1.00 3.42 H new ATOM 0 HH21 ARG A 62 -10.596 9.658 -4.368 1.00 4.25 H new ATOM 0 HH22 ARG A 62 -10.714 10.394 -5.970 1.00 4.25 H new ATOM 966 N PRO A 63 -10.498 2.977 -5.087 1.00 0.46 N ATOM 967 CA PRO A 63 -9.288 2.709 -5.846 1.00 0.45 C ATOM 968 C PRO A 63 -8.800 3.979 -6.547 1.00 0.43 C ATOM 969 O PRO A 63 -9.594 4.878 -6.821 1.00 0.46 O ATOM 970 CB PRO A 63 -9.670 1.613 -6.832 1.00 0.51 C ATOM 971 CG PRO A 63 -11.131 1.949 -7.143 1.00 0.53 C ATOM 972 CD PRO A 63 -11.663 2.491 -5.811 1.00 0.51 C ATOM 0 HA PRO A 63 -8.459 2.390 -5.214 1.00 0.45 H new ATOM 0 HB2 PRO A 63 -9.048 1.636 -7.727 1.00 0.51 H new ATOM 0 HB3 PRO A 63 -9.565 0.619 -6.396 1.00 0.51 H new ATOM 0 HG2 PRO A 63 -11.212 2.689 -7.939 1.00 0.53 H new ATOM 0 HG3 PRO A 63 -11.685 1.069 -7.469 1.00 0.53 H new ATOM 0 HD2 PRO A 63 -12.384 3.292 -5.975 1.00 0.51 H new ATOM 0 HD3 PRO A 63 -12.176 1.711 -5.248 1.00 0.51 H new ATOM 980 N VAL A 64 -7.495 4.040 -6.831 1.00 0.41 N ATOM 981 CA VAL A 64 -6.808 5.183 -7.462 1.00 0.40 C ATOM 982 C VAL A 64 -5.790 4.689 -8.508 1.00 0.39 C ATOM 983 O VAL A 64 -5.352 3.543 -8.409 1.00 0.40 O ATOM 984 CB VAL A 64 -6.121 6.092 -6.411 1.00 0.40 C ATOM 985 CG1 VAL A 64 -7.150 6.739 -5.479 1.00 0.57 C ATOM 986 CG2 VAL A 64 -5.039 5.389 -5.576 1.00 0.55 C ATOM 0 H VAL A 64 -6.861 3.269 -6.622 1.00 0.41 H new ATOM 0 HA VAL A 64 -7.563 5.785 -7.967 1.00 0.40 H new ATOM 0 HB VAL A 64 -5.614 6.859 -6.996 1.00 0.40 H new ATOM 0 HG11 VAL A 64 -6.637 7.370 -4.753 1.00 0.57 H new ATOM 0 HG12 VAL A 64 -7.840 7.346 -6.065 1.00 0.57 H new ATOM 0 HG13 VAL A 64 -7.706 5.961 -4.955 1.00 0.57 H new ATOM 0 HG21 VAL A 64 -4.610 6.096 -4.866 1.00 0.55 H new ATOM 0 HG22 VAL A 64 -5.483 4.555 -5.033 1.00 0.55 H new ATOM 0 HG23 VAL A 64 -4.255 5.017 -6.236 1.00 0.55 H new ATOM 996 N PRO A 65 -5.426 5.501 -9.524 1.00 0.41 N ATOM 997 CA PRO A 65 -4.659 5.031 -10.675 1.00 0.43 C ATOM 998 C PRO A 65 -3.162 4.914 -10.384 1.00 0.42 C ATOM 999 O PRO A 65 -2.514 4.073 -10.997 1.00 0.47 O ATOM 1000 CB PRO A 65 -4.955 6.041 -11.787 1.00 0.47 C ATOM 1001 CG PRO A 65 -5.153 7.349 -11.029 1.00 0.46 C ATOM 1002 CD PRO A 65 -5.809 6.895 -9.724 1.00 0.43 C ATOM 0 HA PRO A 65 -4.950 4.019 -10.957 1.00 0.43 H new ATOM 0 HB2 PRO A 65 -4.132 6.109 -12.498 1.00 0.47 H new ATOM 0 HB3 PRO A 65 -5.844 5.766 -12.354 1.00 0.47 H new ATOM 0 HG2 PRO A 65 -4.206 7.858 -10.849 1.00 0.46 H new ATOM 0 HG3 PRO A 65 -5.788 8.043 -11.580 1.00 0.46 H new ATOM 0 HD2 PRO A 65 -5.476 7.511 -8.889 1.00 0.43 H new ATOM 0 HD3 PRO A 65 -6.893 6.994 -9.781 1.00 0.43 H new ATOM 1010 N PHE A 66 -2.630 5.726 -9.459 1.00 0.38 N ATOM 1011 CA PHE A 66 -1.211 5.763 -9.079 1.00 0.37 C ATOM 1012 C PHE A 66 -0.943 6.736 -7.920 1.00 0.36 C ATOM 1013 O PHE A 66 -1.747 7.622 -7.629 1.00 0.39 O ATOM 1014 CB PHE A 66 -0.319 6.129 -10.282 1.00 0.40 C ATOM 1015 CG PHE A 66 -0.564 7.516 -10.817 1.00 0.43 C ATOM 1016 CD1 PHE A 66 0.063 8.616 -10.214 1.00 1.59 C ATOM 1017 CD2 PHE A 66 -1.477 7.706 -11.863 1.00 1.74 C ATOM 1018 CE1 PHE A 66 -0.249 9.920 -10.618 1.00 1.59 C ATOM 1019 CE2 PHE A 66 -1.769 9.013 -12.301 1.00 1.77 C ATOM 1020 CZ PHE A 66 -1.159 10.120 -11.673 1.00 0.52 C ATOM 0 H PHE A 66 -3.195 6.397 -8.938 1.00 0.38 H new ATOM 0 HA PHE A 66 -0.958 4.758 -8.741 1.00 0.37 H new ATOM 0 HB2 PHE A 66 0.727 6.042 -9.987 1.00 0.40 H new ATOM 0 HB3 PHE A 66 -0.486 5.406 -11.081 1.00 0.40 H new ATOM 0 HD1 PHE A 66 0.791 8.456 -9.433 1.00 1.59 H new ATOM 0 HD2 PHE A 66 -1.953 6.857 -12.330 1.00 1.74 H new ATOM 0 HE1 PHE A 66 0.205 10.766 -10.124 1.00 1.59 H new ATOM 0 HE2 PHE A 66 -2.459 9.168 -13.117 1.00 1.77 H new ATOM 0 HZ PHE A 66 -1.391 11.122 -12.002 1.00 0.52 H new ATOM 1030 N LEU A 67 0.252 6.610 -7.330 1.00 0.38 N ATOM 1031 CA LEU A 67 0.879 7.599 -6.448 1.00 0.42 C ATOM 1032 C LEU A 67 2.074 8.244 -7.142 1.00 0.45 C ATOM 1033 O LEU A 67 2.722 7.615 -7.977 1.00 0.45 O ATOM 1034 CB LEU A 67 1.393 6.926 -5.161 1.00 0.48 C ATOM 1035 CG LEU A 67 0.398 6.056 -4.376 1.00 0.49 C ATOM 1036 CD1 LEU A 67 1.034 5.698 -3.032 1.00 0.57 C ATOM 1037 CD2 LEU A 67 -0.948 6.739 -4.133 1.00 0.52 C ATOM 0 H LEU A 67 0.832 5.781 -7.460 1.00 0.38 H new ATOM 0 HA LEU A 67 0.127 8.350 -6.207 1.00 0.42 H new ATOM 0 HB2 LEU A 67 2.250 6.306 -5.424 1.00 0.48 H new ATOM 0 HB3 LEU A 67 1.758 7.707 -4.494 1.00 0.48 H new ATOM 0 HG LEU A 67 0.190 5.170 -4.976 1.00 0.49 H new ATOM 0 HD11 LEU A 67 0.345 5.080 -2.457 1.00 0.57 H new ATOM 0 HD12 LEU A 67 1.959 5.148 -3.202 1.00 0.57 H new ATOM 0 HD13 LEU A 67 1.252 6.611 -2.478 1.00 0.57 H new ATOM 0 HD21 LEU A 67 -1.601 6.068 -3.574 1.00 0.52 H new ATOM 0 HD22 LEU A 67 -0.794 7.654 -3.562 1.00 0.52 H new ATOM 0 HD23 LEU A 67 -1.411 6.982 -5.090 1.00 0.52 H new ATOM 1049 N GLU A 68 2.396 9.474 -6.752 1.00 0.51 N ATOM 1050 CA GLU A 68 3.570 10.221 -7.214 1.00 0.57 C ATOM 1051 C GLU A 68 4.576 10.369 -6.068 1.00 0.71 C ATOM 1052 O GLU A 68 4.146 10.559 -4.932 1.00 0.83 O ATOM 1053 CB GLU A 68 3.104 11.618 -7.653 1.00 0.67 C ATOM 1054 CG GLU A 68 4.210 12.436 -8.327 1.00 0.73 C ATOM 1055 CD GLU A 68 4.283 12.104 -9.821 1.00 0.79 C ATOM 1056 OE1 GLU A 68 4.434 10.918 -10.182 1.00 1.72 O ATOM 1057 OE2 GLU A 68 4.077 13.028 -10.636 1.00 1.61 O ATOM 0 H GLU A 68 1.831 9.998 -6.084 1.00 0.51 H new ATOM 0 HA GLU A 68 4.046 9.693 -8.041 1.00 0.57 H new ATOM 0 HB2 GLU A 68 2.265 11.515 -8.342 1.00 0.67 H new ATOM 0 HB3 GLU A 68 2.737 12.162 -6.783 1.00 0.67 H new ATOM 0 HG2 GLU A 68 4.017 13.500 -8.193 1.00 0.73 H new ATOM 0 HG3 GLU A 68 5.168 12.224 -7.853 1.00 0.73 H new ATOM 1064 N VAL A 69 5.890 10.372 -6.349 1.00 0.75 N ATOM 1065 CA VAL A 69 6.921 10.759 -5.365 1.00 0.87 C ATOM 1066 C VAL A 69 8.075 11.601 -5.947 1.00 0.84 C ATOM 1067 O VAL A 69 8.669 11.204 -6.951 1.00 0.82 O ATOM 1068 CB VAL A 69 7.486 9.513 -4.623 1.00 0.98 C ATOM 1069 CG1 VAL A 69 8.710 9.803 -3.730 1.00 1.37 C ATOM 1070 CG2 VAL A 69 6.411 8.872 -3.733 1.00 0.88 C ATOM 0 H VAL A 69 6.268 10.108 -7.259 1.00 0.75 H new ATOM 0 HA VAL A 69 6.404 11.406 -4.656 1.00 0.87 H new ATOM 0 HB VAL A 69 7.802 8.843 -5.423 1.00 0.98 H new ATOM 0 HG11 VAL A 69 9.038 8.880 -3.251 1.00 1.37 H new ATOM 0 HG12 VAL A 69 9.519 10.203 -4.341 1.00 1.37 H new ATOM 0 HG13 VAL A 69 8.438 10.531 -2.966 1.00 1.37 H new ATOM 0 HG21 VAL A 69 6.830 8.003 -3.225 1.00 0.88 H new ATOM 0 HG22 VAL A 69 6.072 9.597 -2.993 1.00 0.88 H new ATOM 0 HG23 VAL A 69 5.567 8.560 -4.349 1.00 0.88 H new ATOM 1080 N PRO A 70 8.445 12.736 -5.309 1.00 0.92 N ATOM 1081 CA PRO A 70 9.513 13.631 -5.765 1.00 0.91 C ATOM 1082 C PRO A 70 10.928 13.087 -5.469 1.00 0.91 C ATOM 1083 O PRO A 70 11.084 12.233 -4.592 1.00 0.99 O ATOM 1084 CB PRO A 70 9.267 14.953 -5.028 1.00 1.02 C ATOM 1085 CG PRO A 70 8.653 14.502 -3.708 1.00 1.12 C ATOM 1086 CD PRO A 70 7.791 13.320 -4.138 1.00 1.05 C ATOM 0 HA PRO A 70 9.483 13.742 -6.849 1.00 0.91 H new ATOM 0 HB2 PRO A 70 10.193 15.507 -4.874 1.00 1.02 H new ATOM 0 HB3 PRO A 70 8.594 15.606 -5.584 1.00 1.02 H new ATOM 0 HG2 PRO A 70 9.414 14.209 -2.985 1.00 1.12 H new ATOM 0 HG3 PRO A 70 8.060 15.291 -3.245 1.00 1.12 H new ATOM 0 HD2 PRO A 70 7.707 12.588 -3.335 1.00 1.05 H new ATOM 0 HD3 PRO A 70 6.779 13.645 -4.380 1.00 1.05 H new ATOM 1094 N PRO A 71 11.966 13.593 -6.168 1.00 0.88 N ATOM 1095 CA PRO A 71 13.357 13.158 -6.017 1.00 0.92 C ATOM 1096 C PRO A 71 13.946 13.444 -4.636 1.00 1.07 C ATOM 1097 O PRO A 71 13.617 14.445 -4.004 1.00 1.13 O ATOM 1098 CB PRO A 71 14.134 13.866 -7.126 1.00 0.93 C ATOM 1099 CG PRO A 71 13.288 15.085 -7.470 1.00 0.89 C ATOM 1100 CD PRO A 71 11.868 14.597 -7.218 1.00 0.87 C ATOM 0 HA PRO A 71 13.421 12.073 -6.103 1.00 0.92 H new ATOM 0 HB2 PRO A 71 15.129 14.156 -6.789 1.00 0.93 H new ATOM 0 HB3 PRO A 71 14.267 13.218 -7.993 1.00 0.93 H new ATOM 0 HG2 PRO A 71 13.538 15.940 -6.842 1.00 0.89 H new ATOM 0 HG3 PRO A 71 13.430 15.396 -8.505 1.00 0.89 H new ATOM 0 HD2 PRO A 71 11.222 15.420 -6.911 1.00 0.87 H new ATOM 0 HD3 PRO A 71 11.435 14.172 -8.124 1.00 0.87 H new ATOM 1108 N LYS A 72 14.818 12.535 -4.170 1.00 1.21 N ATOM 1109 CA LYS A 72 15.546 12.575 -2.881 1.00 1.45 C ATOM 1110 C LYS A 72 14.650 12.407 -1.639 1.00 1.61 C ATOM 1111 O LYS A 72 15.146 12.342 -0.516 1.00 1.91 O ATOM 1112 CB LYS A 72 16.427 13.834 -2.782 1.00 1.49 C ATOM 1113 CG LYS A 72 17.267 14.121 -4.036 1.00 1.62 C ATOM 1114 CD LYS A 72 18.225 12.984 -4.422 1.00 1.55 C ATOM 1115 CE LYS A 72 18.860 13.314 -5.772 1.00 2.03 C ATOM 1116 NZ LYS A 72 19.697 12.211 -6.290 1.00 2.24 N ATOM 0 H LYS A 72 15.051 11.702 -4.711 1.00 1.21 H new ATOM 0 HA LYS A 72 16.192 11.697 -2.881 1.00 1.45 H new ATOM 0 HB2 LYS A 72 15.789 14.695 -2.582 1.00 1.49 H new ATOM 0 HB3 LYS A 72 17.096 13.728 -1.928 1.00 1.49 H new ATOM 0 HG2 LYS A 72 16.596 14.317 -4.873 1.00 1.62 H new ATOM 0 HG3 LYS A 72 17.846 15.030 -3.872 1.00 1.62 H new ATOM 0 HD2 LYS A 72 18.996 12.865 -3.661 1.00 1.55 H new ATOM 0 HD3 LYS A 72 17.685 12.039 -4.479 1.00 1.55 H new ATOM 0 HE2 LYS A 72 18.075 13.539 -6.494 1.00 2.03 H new ATOM 0 HE3 LYS A 72 19.469 14.212 -5.673 1.00 2.03 H new ATOM 0 HZ1 LYS A 72 19.579 12.140 -7.321 1.00 2.24 H new ATOM 0 HZ2 LYS A 72 20.695 12.399 -6.068 1.00 2.24 H new ATOM 0 HZ3 LYS A 72 19.406 11.317 -5.846 1.00 2.24 H new ATOM 1130 N GLY A 73 13.334 12.334 -1.841 1.00 1.49 N ATOM 1131 CA GLY A 73 12.320 12.142 -0.803 1.00 1.66 C ATOM 1132 C GLY A 73 12.042 10.670 -0.498 1.00 1.70 C ATOM 1133 O GLY A 73 12.604 9.766 -1.114 1.00 1.76 O ATOM 0 H GLY A 73 12.928 12.410 -2.773 1.00 1.49 H new ATOM 0 HA2 GLY A 73 12.645 12.640 0.110 1.00 1.66 H new ATOM 0 HA3 GLY A 73 11.393 12.623 -1.116 1.00 1.66 H new ATOM 1137 N ARG A 74 11.120 10.451 0.446 1.00 1.75 N ATOM 1138 CA ARG A 74 10.499 9.154 0.735 1.00 1.77 C ATOM 1139 C ARG A 74 9.084 9.381 1.280 1.00 1.74 C ATOM 1140 O ARG A 74 8.884 10.295 2.077 1.00 2.33 O ATOM 1141 CB ARG A 74 11.407 8.310 1.666 1.00 2.63 C ATOM 1142 CG ARG A 74 11.324 8.620 3.178 1.00 2.36 C ATOM 1143 CD ARG A 74 10.326 7.723 3.883 1.00 2.10 C ATOM 1144 NE ARG A 74 9.901 8.197 5.214 1.00 2.15 N ATOM 1145 CZ ARG A 74 8.718 8.731 5.499 1.00 2.87 C ATOM 1146 NH1 ARG A 74 7.945 9.291 4.589 1.00 3.94 N ATOM 1147 NH2 ARG A 74 8.286 8.677 6.737 1.00 3.71 N ATOM 0 H ARG A 74 10.774 11.197 1.050 1.00 1.75 H new ATOM 0 HA ARG A 74 10.395 8.567 -0.178 1.00 1.77 H new ATOM 0 HB2 ARG A 74 11.162 7.258 1.520 1.00 2.63 H new ATOM 0 HB3 ARG A 74 12.441 8.444 1.347 1.00 2.63 H new ATOM 0 HG2 ARG A 74 12.308 8.494 3.629 1.00 2.36 H new ATOM 0 HG3 ARG A 74 11.039 9.663 3.320 1.00 2.36 H new ATOM 0 HD2 ARG A 74 9.444 7.618 3.251 1.00 2.10 H new ATOM 0 HD3 ARG A 74 10.763 6.730 3.989 1.00 2.10 H new ATOM 0 HE ARG A 74 10.570 8.107 5.978 1.00 2.15 H new ATOM 0 HH11 ARG A 74 8.248 9.328 3.616 1.00 3.94 H new ATOM 0 HH12 ARG A 74 7.045 9.687 4.859 1.00 3.94 H new ATOM 0 HH21 ARG A 74 8.855 8.232 7.457 1.00 3.71 H new ATOM 0 HH22 ARG A 74 7.381 9.080 6.979 1.00 3.71 H new ATOM 1161 N VAL A 75 8.104 8.576 0.884 1.00 1.46 N ATOM 1162 CA VAL A 75 6.657 8.795 1.116 1.00 1.82 C ATOM 1163 C VAL A 75 5.973 7.448 1.344 1.00 1.41 C ATOM 1164 O VAL A 75 6.393 6.464 0.751 1.00 1.43 O ATOM 1165 CB VAL A 75 5.995 9.482 -0.106 1.00 2.44 C ATOM 1166 CG1 VAL A 75 4.500 9.775 0.119 1.00 3.17 C ATOM 1167 CG2 VAL A 75 6.684 10.814 -0.462 1.00 2.89 C ATOM 0 H VAL A 75 8.290 7.714 0.371 1.00 1.46 H new ATOM 0 HA VAL A 75 6.545 9.438 1.989 1.00 1.82 H new ATOM 0 HB VAL A 75 6.108 8.771 -0.924 1.00 2.44 H new ATOM 0 HG11 VAL A 75 4.086 10.256 -0.767 1.00 3.17 H new ATOM 0 HG12 VAL A 75 3.970 8.841 0.306 1.00 3.17 H new ATOM 0 HG13 VAL A 75 4.384 10.436 0.978 1.00 3.17 H new ATOM 0 HG21 VAL A 75 6.188 11.261 -1.324 1.00 2.89 H new ATOM 0 HG22 VAL A 75 6.620 11.495 0.387 1.00 2.89 H new ATOM 0 HG23 VAL A 75 7.731 10.629 -0.701 1.00 2.89 H new ATOM 1177 N GLU A 76 4.939 7.378 2.183 1.00 1.26 N ATOM 1178 CA GLU A 76 4.316 6.101 2.557 1.00 1.03 C ATOM 1179 C GLU A 76 2.810 6.051 2.307 1.00 0.88 C ATOM 1180 O GLU A 76 2.096 7.050 2.434 1.00 1.04 O ATOM 1181 CB GLU A 76 4.627 5.691 4.012 1.00 1.39 C ATOM 1182 CG GLU A 76 5.575 6.599 4.811 1.00 1.65 C ATOM 1183 CD GLU A 76 4.875 7.888 5.246 1.00 1.78 C ATOM 1184 OE1 GLU A 76 3.992 7.849 6.128 1.00 2.57 O ATOM 1185 OE2 GLU A 76 5.160 8.962 4.663 1.00 2.63 O ATOM 0 H GLU A 76 4.511 8.194 2.620 1.00 1.26 H new ATOM 0 HA GLU A 76 4.776 5.373 1.888 1.00 1.03 H new ATOM 0 HB2 GLU A 76 3.683 5.628 4.554 1.00 1.39 H new ATOM 0 HB3 GLU A 76 5.053 4.688 3.996 1.00 1.39 H new ATOM 0 HG2 GLU A 76 5.938 6.066 5.689 1.00 1.65 H new ATOM 0 HG3 GLU A 76 6.446 6.843 4.203 1.00 1.65 H new ATOM 1192 N LEU A 77 2.340 4.827 2.046 1.00 0.72 N ATOM 1193 CA LEU A 77 0.943 4.417 2.096 1.00 0.69 C ATOM 1194 C LEU A 77 0.487 4.337 3.557 1.00 1.04 C ATOM 1195 O LEU A 77 0.235 3.272 4.118 1.00 2.08 O ATOM 1196 CB LEU A 77 0.723 3.098 1.329 1.00 0.64 C ATOM 1197 CG LEU A 77 0.865 3.232 -0.201 1.00 0.59 C ATOM 1198 CD1 LEU A 77 2.295 2.961 -0.692 1.00 0.74 C ATOM 1199 CD2 LEU A 77 -0.094 2.261 -0.900 1.00 0.91 C ATOM 0 H LEU A 77 2.959 4.061 1.781 1.00 0.72 H new ATOM 0 HA LEU A 77 0.326 5.162 1.595 1.00 0.69 H new ATOM 0 HB2 LEU A 77 1.439 2.358 1.687 1.00 0.64 H new ATOM 0 HB3 LEU A 77 -0.272 2.717 1.559 1.00 0.64 H new ATOM 0 HG LEU A 77 0.619 4.264 -0.450 1.00 0.59 H new ATOM 0 HD11 LEU A 77 2.334 3.070 -1.776 1.00 0.74 H new ATOM 0 HD12 LEU A 77 2.979 3.673 -0.231 1.00 0.74 H new ATOM 0 HD13 LEU A 77 2.588 1.947 -0.418 1.00 0.74 H new ATOM 0 HD21 LEU A 77 0.011 2.360 -1.980 1.00 0.91 H new ATOM 0 HD22 LEU A 77 0.144 1.239 -0.605 1.00 0.91 H new ATOM 0 HD23 LEU A 77 -1.120 2.492 -0.612 1.00 0.91 H new ATOM 1211 N LYS A 78 0.444 5.499 4.199 1.00 0.94 N ATOM 1212 CA LYS A 78 -0.051 5.675 5.557 1.00 1.05 C ATOM 1213 C LYS A 78 -1.526 5.216 5.651 1.00 0.90 C ATOM 1214 O LYS A 78 -2.349 5.732 4.890 1.00 1.23 O ATOM 1215 CB LYS A 78 0.188 7.141 5.972 1.00 1.55 C ATOM 1216 CG LYS A 78 -0.527 8.201 5.097 1.00 1.43 C ATOM 1217 CD LYS A 78 0.164 9.572 5.178 1.00 1.98 C ATOM 1218 CE LYS A 78 1.483 9.588 4.383 1.00 2.19 C ATOM 1219 NZ LYS A 78 2.650 9.982 5.210 1.00 3.05 N ATOM 0 H LYS A 78 0.763 6.370 3.775 1.00 0.94 H new ATOM 0 HA LYS A 78 0.488 5.047 6.267 1.00 1.05 H new ATOM 0 HB2 LYS A 78 -0.137 7.267 7.005 1.00 1.55 H new ATOM 0 HB3 LYS A 78 1.260 7.338 5.949 1.00 1.55 H new ATOM 0 HG2 LYS A 78 -0.545 7.864 4.061 1.00 1.43 H new ATOM 0 HG3 LYS A 78 -1.564 8.298 5.419 1.00 1.43 H new ATOM 0 HD2 LYS A 78 -0.505 10.341 4.791 1.00 1.98 H new ATOM 0 HD3 LYS A 78 0.364 9.819 6.221 1.00 1.98 H new ATOM 0 HE2 LYS A 78 1.660 8.598 3.962 1.00 2.19 H new ATOM 0 HE3 LYS A 78 1.388 10.278 3.545 1.00 2.19 H new ATOM 0 HZ1 LYS A 78 3.482 10.107 4.599 1.00 3.05 H new ATOM 0 HZ2 LYS A 78 2.442 10.876 5.700 1.00 3.05 H new ATOM 0 HZ3 LYS A 78 2.845 9.240 5.912 1.00 3.05 H new ATOM 1233 N PRO A 79 -1.894 4.332 6.605 1.00 1.13 N ATOM 1234 CA PRO A 79 -3.172 3.606 6.614 1.00 1.49 C ATOM 1235 C PRO A 79 -4.401 4.513 6.533 1.00 1.46 C ATOM 1236 O PRO A 79 -5.356 4.197 5.820 1.00 2.49 O ATOM 1237 CB PRO A 79 -3.171 2.798 7.923 1.00 1.94 C ATOM 1238 CG PRO A 79 -2.156 3.521 8.804 1.00 1.86 C ATOM 1239 CD PRO A 79 -1.117 3.965 7.780 1.00 1.53 C ATOM 0 HA PRO A 79 -3.247 2.977 5.727 1.00 1.49 H new ATOM 0 HB2 PRO A 79 -4.159 2.783 8.383 1.00 1.94 H new ATOM 0 HB3 PRO A 79 -2.883 1.761 7.751 1.00 1.94 H new ATOM 0 HG2 PRO A 79 -2.600 4.367 9.330 1.00 1.86 H new ATOM 0 HG3 PRO A 79 -1.729 2.863 9.561 1.00 1.86 H new ATOM 0 HD2 PRO A 79 -0.533 4.808 8.148 1.00 1.53 H new ATOM 0 HD3 PRO A 79 -0.413 3.163 7.556 1.00 1.53 H new ATOM 1247 N GLY A 80 -4.352 5.665 7.217 1.00 0.87 N ATOM 1248 CA GLY A 80 -5.438 6.644 7.253 1.00 1.01 C ATOM 1249 C GLY A 80 -5.627 7.460 5.972 1.00 1.15 C ATOM 1250 O GLY A 80 -6.551 8.268 5.945 1.00 1.85 O ATOM 0 H GLY A 80 -3.541 5.944 7.769 1.00 0.87 H new ATOM 0 HA2 GLY A 80 -6.369 6.121 7.472 1.00 1.01 H new ATOM 0 HA3 GLY A 80 -5.257 7.332 8.079 1.00 1.01 H new ATOM 1254 N GLY A 81 -4.808 7.266 4.923 1.00 1.02 N ATOM 1255 CA GLY A 81 -5.041 7.894 3.610 1.00 1.02 C ATOM 1256 C GLY A 81 -4.699 7.086 2.366 1.00 1.12 C ATOM 1257 O GLY A 81 -5.280 7.355 1.325 1.00 2.28 O ATOM 0 H GLY A 81 -3.976 6.677 4.960 1.00 1.02 H new ATOM 0 HA2 GLY A 81 -6.094 8.168 3.552 1.00 1.02 H new ATOM 0 HA3 GLY A 81 -4.468 8.821 3.576 1.00 1.02 H new ATOM 1261 N TYR A 82 -3.814 6.091 2.429 1.00 0.66 N ATOM 1262 CA TYR A 82 -3.511 5.196 1.302 1.00 0.67 C ATOM 1263 C TYR A 82 -3.115 3.792 1.762 1.00 0.73 C ATOM 1264 O TYR A 82 -2.498 3.613 2.808 1.00 0.85 O ATOM 1265 CB TYR A 82 -2.390 5.771 0.428 1.00 0.74 C ATOM 1266 CG TYR A 82 -2.776 7.030 -0.310 1.00 0.73 C ATOM 1267 CD1 TYR A 82 -3.539 6.949 -1.490 1.00 1.79 C ATOM 1268 CD2 TYR A 82 -2.453 8.284 0.238 1.00 2.23 C ATOM 1269 CE1 TYR A 82 -3.988 8.121 -2.120 1.00 1.76 C ATOM 1270 CE2 TYR A 82 -2.919 9.458 -0.376 1.00 2.28 C ATOM 1271 CZ TYR A 82 -3.688 9.381 -1.557 1.00 0.80 C ATOM 1272 OH TYR A 82 -4.154 10.518 -2.140 1.00 0.87 O ATOM 0 H TYR A 82 -3.279 5.878 3.271 1.00 0.66 H new ATOM 0 HA TYR A 82 -4.429 5.119 0.720 1.00 0.67 H new ATOM 0 HB2 TYR A 82 -1.524 5.980 1.056 1.00 0.74 H new ATOM 0 HB3 TYR A 82 -2.084 5.016 -0.296 1.00 0.74 H new ATOM 0 HD1 TYR A 82 -3.779 5.984 -1.911 1.00 1.79 H new ATOM 0 HD2 TYR A 82 -1.847 8.344 1.130 1.00 2.23 H new ATOM 0 HE1 TYR A 82 -4.561 8.059 -3.033 1.00 1.76 H new ATOM 0 HE2 TYR A 82 -2.689 10.421 0.056 1.00 2.28 H new ATOM 0 HH TYR A 82 -3.856 11.296 -1.624 1.00 0.87 H new ATOM 1282 N HIS A 83 -3.476 2.789 0.967 1.00 0.66 N ATOM 1283 CA HIS A 83 -3.093 1.389 1.178 1.00 0.62 C ATOM 1284 C HIS A 83 -3.275 0.574 -0.113 1.00 0.56 C ATOM 1285 O HIS A 83 -4.121 0.910 -0.941 1.00 0.58 O ATOM 1286 CB HIS A 83 -3.897 0.799 2.342 1.00 0.65 C ATOM 1287 CG HIS A 83 -5.376 0.849 2.106 1.00 0.61 C ATOM 1288 ND1 HIS A 83 -6.175 1.968 2.206 1.00 0.59 N ATOM 1289 CD2 HIS A 83 -6.131 -0.151 1.566 1.00 0.56 C ATOM 1290 CE1 HIS A 83 -7.373 1.662 1.702 1.00 0.53 C ATOM 1291 NE2 HIS A 83 -7.401 0.371 1.338 1.00 0.53 N ATOM 0 H HIS A 83 -4.056 2.926 0.139 1.00 0.66 H new ATOM 0 HA HIS A 83 -2.036 1.343 1.440 1.00 0.62 H new ATOM 0 HB2 HIS A 83 -3.593 -0.236 2.501 1.00 0.65 H new ATOM 0 HB3 HIS A 83 -3.660 1.345 3.255 1.00 0.65 H new ATOM 0 HD2 HIS A 83 -5.804 -1.159 1.355 1.00 0.56 H new ATOM 0 HE1 HIS A 83 -8.198 2.352 1.602 1.00 0.53 H new ATOM 0 HE2 HIS A 83 -8.204 -0.134 0.964 1.00 0.53 H new ATOM 1299 N PHE A 84 -2.551 -0.535 -0.256 1.00 0.51 N ATOM 1300 CA PHE A 84 -2.881 -1.546 -1.262 1.00 0.49 C ATOM 1301 C PHE A 84 -3.971 -2.487 -0.713 1.00 0.49 C ATOM 1302 O PHE A 84 -3.950 -2.811 0.473 1.00 0.67 O ATOM 1303 CB PHE A 84 -1.623 -2.343 -1.618 1.00 0.52 C ATOM 1304 CG PHE A 84 -0.672 -1.624 -2.547 1.00 0.52 C ATOM 1305 CD1 PHE A 84 -0.933 -1.570 -3.931 1.00 1.94 C ATOM 1306 CD2 PHE A 84 0.479 -1.007 -2.032 1.00 1.99 C ATOM 1307 CE1 PHE A 84 -0.034 -0.928 -4.794 1.00 1.99 C ATOM 1308 CE2 PHE A 84 1.376 -0.349 -2.893 1.00 1.99 C ATOM 1309 CZ PHE A 84 1.120 -0.319 -4.272 1.00 0.70 C ATOM 0 H PHE A 84 -1.733 -0.757 0.311 1.00 0.51 H new ATOM 0 HA PHE A 84 -3.258 -1.058 -2.161 1.00 0.49 H new ATOM 0 HB2 PHE A 84 -1.094 -2.594 -0.699 1.00 0.52 H new ATOM 0 HB3 PHE A 84 -1.922 -3.284 -2.080 1.00 0.52 H new ATOM 0 HD1 PHE A 84 -1.829 -2.025 -4.328 1.00 1.94 H new ATOM 0 HD2 PHE A 84 0.677 -1.038 -0.971 1.00 1.99 H new ATOM 0 HE1 PHE A 84 -0.228 -0.901 -5.856 1.00 1.99 H new ATOM 0 HE2 PHE A 84 2.258 0.131 -2.494 1.00 1.99 H new ATOM 0 HZ PHE A 84 1.814 0.175 -4.936 1.00 0.70 H new ATOM 1319 N MET A 85 -4.877 -2.975 -1.562 1.00 0.41 N ATOM 1320 CA MET A 85 -5.842 -4.049 -1.289 1.00 0.41 C ATOM 1321 C MET A 85 -5.349 -5.332 -1.969 1.00 0.42 C ATOM 1322 O MET A 85 -5.314 -5.411 -3.196 1.00 0.60 O ATOM 1323 CB MET A 85 -7.238 -3.661 -1.793 1.00 0.46 C ATOM 1324 CG MET A 85 -8.333 -4.151 -0.835 1.00 0.60 C ATOM 1325 SD MET A 85 -8.558 -3.120 0.650 1.00 0.72 S ATOM 1326 CE MET A 85 -9.586 -4.240 1.644 1.00 0.79 C ATOM 0 H MET A 85 -4.964 -2.614 -2.512 1.00 0.41 H new ATOM 0 HA MET A 85 -5.919 -4.214 -0.214 1.00 0.41 H new ATOM 0 HB2 MET A 85 -7.301 -2.578 -1.897 1.00 0.46 H new ATOM 0 HB3 MET A 85 -7.401 -4.087 -2.783 1.00 0.46 H new ATOM 0 HG2 MET A 85 -9.278 -4.196 -1.377 1.00 0.60 H new ATOM 0 HG3 MET A 85 -8.096 -5.168 -0.523 1.00 0.60 H new ATOM 0 HE1 MET A 85 -9.822 -3.767 2.597 1.00 0.79 H new ATOM 0 HE2 MET A 85 -10.510 -4.458 1.108 1.00 0.79 H new ATOM 0 HE3 MET A 85 -9.044 -5.168 1.824 1.00 0.79 H new ATOM 1336 N LEU A 86 -4.932 -6.326 -1.188 1.00 0.41 N ATOM 1337 CA LEU A 86 -4.388 -7.594 -1.679 1.00 0.41 C ATOM 1338 C LEU A 86 -5.541 -8.574 -1.886 1.00 0.41 C ATOM 1339 O LEU A 86 -6.231 -8.891 -0.918 1.00 0.49 O ATOM 1340 CB LEU A 86 -3.393 -8.150 -0.648 1.00 0.48 C ATOM 1341 CG LEU A 86 -1.983 -7.530 -0.643 1.00 0.59 C ATOM 1342 CD1 LEU A 86 -1.955 -6.062 -0.190 1.00 0.94 C ATOM 1343 CD2 LEU A 86 -1.084 -8.346 0.300 1.00 1.28 C ATOM 0 H LEU A 86 -4.963 -6.272 -0.170 1.00 0.41 H new ATOM 0 HA LEU A 86 -3.868 -7.444 -2.625 1.00 0.41 H new ATOM 0 HB2 LEU A 86 -3.825 -8.022 0.345 1.00 0.48 H new ATOM 0 HB3 LEU A 86 -3.293 -9.222 -0.816 1.00 0.48 H new ATOM 0 HG LEU A 86 -1.627 -7.555 -1.673 1.00 0.59 H new ATOM 0 HD11 LEU A 86 -0.929 -5.694 -0.212 1.00 0.94 H new ATOM 0 HD12 LEU A 86 -2.570 -5.462 -0.861 1.00 0.94 H new ATOM 0 HD13 LEU A 86 -2.346 -5.987 0.825 1.00 0.94 H new ATOM 0 HD21 LEU A 86 -0.083 -7.915 0.311 1.00 1.28 H new ATOM 0 HD22 LEU A 86 -1.499 -8.325 1.308 1.00 1.28 H new ATOM 0 HD23 LEU A 86 -1.032 -9.377 -0.049 1.00 1.28 H new ATOM 1355 N LEU A 87 -5.753 -9.076 -3.107 1.00 0.48 N ATOM 1356 CA LEU A 87 -6.894 -9.950 -3.414 1.00 0.50 C ATOM 1357 C LEU A 87 -6.467 -11.322 -3.949 1.00 0.56 C ATOM 1358 O LEU A 87 -5.509 -11.466 -4.708 1.00 0.66 O ATOM 1359 CB LEU A 87 -7.849 -9.255 -4.405 1.00 0.61 C ATOM 1360 CG LEU A 87 -8.991 -8.449 -3.760 1.00 0.85 C ATOM 1361 CD1 LEU A 87 -8.535 -7.079 -3.235 1.00 1.57 C ATOM 1362 CD2 LEU A 87 -10.123 -8.279 -4.780 1.00 2.06 C ATOM 0 H LEU A 87 -5.145 -8.891 -3.905 1.00 0.48 H new ATOM 0 HA LEU A 87 -7.417 -10.131 -2.475 1.00 0.50 H new ATOM 0 HB2 LEU A 87 -7.266 -8.586 -5.038 1.00 0.61 H new ATOM 0 HB3 LEU A 87 -8.284 -10.012 -5.057 1.00 0.61 H new ATOM 0 HG LEU A 87 -9.342 -9.008 -2.893 1.00 0.85 H new ATOM 0 HD11 LEU A 87 -9.384 -6.558 -2.792 1.00 1.57 H new ATOM 0 HD12 LEU A 87 -7.760 -7.218 -2.481 1.00 1.57 H new ATOM 0 HD13 LEU A 87 -8.137 -6.488 -4.059 1.00 1.57 H new ATOM 0 HD21 LEU A 87 -10.936 -7.709 -4.330 1.00 2.06 H new ATOM 0 HD22 LEU A 87 -9.748 -7.748 -5.655 1.00 2.06 H new ATOM 0 HD23 LEU A 87 -10.491 -9.260 -5.082 1.00 2.06 H new ATOM 1374 N GLY A 88 -7.237 -12.345 -3.568 1.00 0.60 N ATOM 1375 CA GLY A 88 -7.041 -13.728 -4.018 1.00 0.74 C ATOM 1376 C GLY A 88 -5.850 -14.385 -3.331 1.00 0.92 C ATOM 1377 O GLY A 88 -5.067 -15.063 -3.997 1.00 1.75 O ATOM 0 H GLY A 88 -8.025 -12.236 -2.930 1.00 0.60 H new ATOM 0 HA2 GLY A 88 -7.942 -14.307 -3.815 1.00 0.74 H new ATOM 0 HA3 GLY A 88 -6.890 -13.741 -5.097 1.00 0.74 H new ATOM 1381 N LEU A 89 -5.665 -14.097 -2.038 1.00 0.53 N ATOM 1382 CA LEU A 89 -4.559 -14.533 -1.183 1.00 0.52 C ATOM 1383 C LEU A 89 -4.166 -16.003 -1.287 1.00 0.57 C ATOM 1384 O LEU A 89 -4.953 -16.882 -1.624 1.00 0.72 O ATOM 1385 CB LEU A 89 -4.826 -14.256 0.299 1.00 0.54 C ATOM 1386 CG LEU A 89 -5.421 -12.891 0.685 1.00 0.57 C ATOM 1387 CD1 LEU A 89 -5.469 -12.864 2.213 1.00 0.66 C ATOM 1388 CD2 LEU A 89 -4.598 -11.707 0.154 1.00 0.53 C ATOM 0 H LEU A 89 -6.329 -13.514 -1.529 1.00 0.53 H new ATOM 0 HA LEU A 89 -3.733 -13.937 -1.571 1.00 0.52 H new ATOM 0 HB2 LEU A 89 -5.500 -15.030 0.667 1.00 0.54 H new ATOM 0 HB3 LEU A 89 -3.884 -14.373 0.835 1.00 0.54 H new ATOM 0 HG LEU A 89 -6.409 -12.781 0.238 1.00 0.57 H new ATOM 0 HD11 LEU A 89 -5.885 -11.913 2.547 1.00 0.66 H new ATOM 0 HD12 LEU A 89 -6.096 -13.680 2.572 1.00 0.66 H new ATOM 0 HD13 LEU A 89 -4.461 -12.979 2.611 1.00 0.66 H new ATOM 0 HD21 LEU A 89 -5.068 -10.772 0.459 1.00 0.53 H new ATOM 0 HD22 LEU A 89 -3.588 -11.755 0.560 1.00 0.53 H new ATOM 0 HD23 LEU A 89 -4.554 -11.753 -0.934 1.00 0.53 H new ATOM 1400 N LYS A 90 -2.897 -16.240 -0.953 1.00 0.58 N ATOM 1401 CA LYS A 90 -2.241 -17.549 -1.057 1.00 0.65 C ATOM 1402 C LYS A 90 -1.787 -18.148 0.282 1.00 0.70 C ATOM 1403 O LYS A 90 -1.575 -19.359 0.401 1.00 0.78 O ATOM 1404 CB LYS A 90 -1.046 -17.429 -1.995 1.00 0.71 C ATOM 1405 CG LYS A 90 -1.276 -16.682 -3.329 1.00 0.70 C ATOM 1406 CD LYS A 90 -2.459 -17.276 -4.092 1.00 1.24 C ATOM 1407 CE LYS A 90 -2.743 -16.668 -5.470 1.00 1.34 C ATOM 1408 NZ LYS A 90 -4.144 -16.954 -5.889 1.00 2.18 N ATOM 0 H LYS A 90 -2.280 -15.511 -0.594 1.00 0.58 H new ATOM 0 HA LYS A 90 -2.992 -18.237 -1.445 1.00 0.65 H new ATOM 0 HB2 LYS A 90 -0.243 -16.925 -1.458 1.00 0.71 H new ATOM 0 HB3 LYS A 90 -0.693 -18.434 -2.226 1.00 0.71 H new ATOM 0 HG2 LYS A 90 -1.459 -15.626 -3.132 1.00 0.70 H new ATOM 0 HG3 LYS A 90 -0.377 -16.740 -3.942 1.00 0.70 H new ATOM 0 HD2 LYS A 90 -2.285 -18.345 -4.217 1.00 1.24 H new ATOM 0 HD3 LYS A 90 -3.353 -17.168 -3.478 1.00 1.24 H new ATOM 0 HE2 LYS A 90 -2.579 -15.591 -5.439 1.00 1.34 H new ATOM 0 HE3 LYS A 90 -2.048 -17.075 -6.204 1.00 1.34 H new ATOM 0 HZ1 LYS A 90 -4.260 -16.718 -6.895 1.00 2.18 H new ATOM 0 HZ2 LYS A 90 -4.351 -17.963 -5.744 1.00 2.18 H new ATOM 0 HZ3 LYS A 90 -4.800 -16.381 -5.321 1.00 2.18 H new ATOM 1422 N ARG A 91 -1.616 -17.274 1.270 1.00 0.71 N ATOM 1423 CA ARG A 91 -1.383 -17.558 2.677 1.00 0.78 C ATOM 1424 C ARG A 91 -2.261 -16.613 3.528 1.00 0.74 C ATOM 1425 O ARG A 91 -2.402 -15.455 3.134 1.00 0.75 O ATOM 1426 CB ARG A 91 0.100 -17.306 2.983 1.00 0.98 C ATOM 1427 CG ARG A 91 1.088 -18.252 2.270 1.00 1.62 C ATOM 1428 CD ARG A 91 0.910 -19.731 2.639 1.00 2.85 C ATOM 1429 NE ARG A 91 1.877 -20.593 1.928 1.00 4.25 N ATOM 1430 CZ ARG A 91 1.644 -21.379 0.878 1.00 5.72 C ATOM 1431 NH1 ARG A 91 0.474 -21.428 0.273 1.00 6.27 N ATOM 1432 NH2 ARG A 91 2.609 -22.149 0.410 1.00 7.12 N ATOM 0 H ARG A 91 -1.639 -16.270 1.090 1.00 0.71 H new ATOM 0 HA ARG A 91 -1.636 -18.593 2.909 1.00 0.78 H new ATOM 0 HB2 ARG A 91 0.342 -16.279 2.708 1.00 0.98 H new ATOM 0 HB3 ARG A 91 0.252 -17.392 4.059 1.00 0.98 H new ATOM 0 HG2 ARG A 91 0.969 -18.140 1.192 1.00 1.62 H new ATOM 0 HG3 ARG A 91 2.106 -17.947 2.512 1.00 1.62 H new ATOM 0 HD2 ARG A 91 1.035 -19.855 3.715 1.00 2.85 H new ATOM 0 HD3 ARG A 91 -0.105 -20.047 2.397 1.00 2.85 H new ATOM 0 HE ARG A 91 2.834 -20.585 2.282 1.00 4.25 H new ATOM 0 HH11 ARG A 91 -0.297 -20.849 0.606 1.00 6.27 H new ATOM 0 HH12 ARG A 91 0.340 -22.045 -0.528 1.00 6.27 H new ATOM 0 HH21 ARG A 91 3.528 -22.140 0.852 1.00 7.12 H new ATOM 0 HH22 ARG A 91 2.435 -22.753 -0.394 1.00 7.12 H new ATOM 1446 N PRO A 92 -2.844 -17.095 4.646 1.00 0.88 N ATOM 1447 CA PRO A 92 -3.589 -16.277 5.593 1.00 1.02 C ATOM 1448 C PRO A 92 -2.617 -15.484 6.472 1.00 1.10 C ATOM 1449 O PRO A 92 -1.544 -15.981 6.818 1.00 1.38 O ATOM 1450 CB PRO A 92 -4.411 -17.270 6.418 1.00 1.20 C ATOM 1451 CG PRO A 92 -3.520 -18.508 6.461 1.00 1.21 C ATOM 1452 CD PRO A 92 -2.833 -18.485 5.095 1.00 1.01 C ATOM 0 HA PRO A 92 -4.232 -15.545 5.104 1.00 1.02 H new ATOM 0 HB2 PRO A 92 -4.619 -16.888 7.418 1.00 1.20 H new ATOM 0 HB3 PRO A 92 -5.373 -17.482 5.951 1.00 1.20 H new ATOM 0 HG2 PRO A 92 -2.799 -18.458 7.276 1.00 1.21 H new ATOM 0 HG3 PRO A 92 -4.101 -19.419 6.605 1.00 1.21 H new ATOM 0 HD2 PRO A 92 -1.812 -18.860 5.168 1.00 1.01 H new ATOM 0 HD3 PRO A 92 -3.358 -19.125 4.386 1.00 1.01 H new ATOM 1460 N LEU A 93 -2.995 -14.257 6.831 1.00 1.21 N ATOM 1461 CA LEU A 93 -2.123 -13.315 7.534 1.00 1.38 C ATOM 1462 C LEU A 93 -2.282 -13.472 9.057 1.00 1.29 C ATOM 1463 O LEU A 93 -3.372 -13.252 9.581 1.00 1.70 O ATOM 1464 CB LEU A 93 -2.482 -11.880 7.075 1.00 2.00 C ATOM 1465 CG LEU A 93 -2.068 -11.420 5.653 1.00 1.46 C ATOM 1466 CD1 LEU A 93 -0.558 -11.510 5.399 1.00 1.73 C ATOM 1467 CD2 LEU A 93 -2.807 -12.147 4.522 1.00 1.59 C ATOM 0 H LEU A 93 -3.925 -13.885 6.640 1.00 1.21 H new ATOM 0 HA LEU A 93 -1.079 -13.518 7.295 1.00 1.38 H new ATOM 0 HB2 LEU A 93 -3.563 -11.770 7.155 1.00 2.00 H new ATOM 0 HB3 LEU A 93 -2.038 -11.186 7.788 1.00 2.00 H new ATOM 0 HG LEU A 93 -2.366 -10.372 5.635 1.00 1.46 H new ATOM 0 HD11 LEU A 93 -0.339 -11.173 4.386 1.00 1.73 H new ATOM 0 HD12 LEU A 93 -0.031 -10.878 6.114 1.00 1.73 H new ATOM 0 HD13 LEU A 93 -0.230 -12.543 5.517 1.00 1.73 H new ATOM 0 HD21 LEU A 93 -2.462 -11.769 3.560 1.00 1.59 H new ATOM 0 HD22 LEU A 93 -2.606 -13.217 4.585 1.00 1.59 H new ATOM 0 HD23 LEU A 93 -3.879 -11.973 4.617 1.00 1.59 H new ATOM 1479 N LYS A 94 -1.210 -13.819 9.785 1.00 1.07 N ATOM 1480 CA LYS A 94 -1.139 -13.705 11.250 1.00 1.11 C ATOM 1481 C LYS A 94 -0.322 -12.483 11.676 1.00 0.99 C ATOM 1482 O LYS A 94 0.523 -11.994 10.934 1.00 1.52 O ATOM 1483 CB LYS A 94 -0.476 -14.927 11.909 1.00 1.45 C ATOM 1484 CG LYS A 94 -0.546 -16.264 11.170 1.00 1.53 C ATOM 1485 CD LYS A 94 0.208 -17.276 12.040 1.00 2.06 C ATOM 1486 CE LYS A 94 0.537 -18.606 11.348 1.00 2.75 C ATOM 1487 NZ LYS A 94 1.752 -18.491 10.503 1.00 3.55 N ATOM 0 H LYS A 94 -0.357 -14.191 9.368 1.00 1.07 H new ATOM 0 HA LYS A 94 -2.175 -13.622 11.577 1.00 1.11 H new ATOM 0 HB2 LYS A 94 0.575 -14.690 12.072 1.00 1.45 H new ATOM 0 HB3 LYS A 94 -0.928 -15.064 12.891 1.00 1.45 H new ATOM 0 HG2 LYS A 94 -1.581 -16.573 11.022 1.00 1.53 H new ATOM 0 HG3 LYS A 94 -0.092 -16.186 10.182 1.00 1.53 H new ATOM 0 HD2 LYS A 94 1.138 -16.820 12.379 1.00 2.06 H new ATOM 0 HD3 LYS A 94 -0.388 -17.484 12.929 1.00 2.06 H new ATOM 0 HE2 LYS A 94 0.687 -19.381 12.099 1.00 2.75 H new ATOM 0 HE3 LYS A 94 -0.308 -18.917 10.733 1.00 2.75 H new ATOM 0 HZ1 LYS A 94 2.143 -19.438 10.326 1.00 3.55 H new ATOM 0 HZ2 LYS A 94 1.504 -18.044 9.597 1.00 3.55 H new ATOM 0 HZ3 LYS A 94 2.462 -17.910 10.993 1.00 3.55 H new ATOM 1501 N ALA A 95 -0.474 -12.087 12.932 1.00 0.97 N ATOM 1502 CA ALA A 95 0.442 -11.139 13.550 1.00 0.93 C ATOM 1503 C ALA A 95 1.786 -11.839 13.797 1.00 0.90 C ATOM 1504 O ALA A 95 1.809 -12.970 14.285 1.00 1.03 O ATOM 1505 CB ALA A 95 -0.194 -10.619 14.840 1.00 1.08 C ATOM 0 H ALA A 95 -1.224 -12.408 13.544 1.00 0.97 H new ATOM 0 HA ALA A 95 0.631 -10.283 12.903 1.00 0.93 H new ATOM 0 HB1 ALA A 95 0.480 -9.907 15.316 1.00 1.08 H new ATOM 0 HB2 ALA A 95 -1.138 -10.126 14.607 1.00 1.08 H new ATOM 0 HB3 ALA A 95 -0.378 -11.453 15.517 1.00 1.08 H new ATOM 1511 N GLY A 96 2.881 -11.180 13.425 1.00 0.88 N ATOM 1512 CA GLY A 96 4.248 -11.692 13.574 1.00 0.99 C ATOM 1513 C GLY A 96 4.800 -12.466 12.374 1.00 1.02 C ATOM 1514 O GLY A 96 5.944 -12.904 12.444 1.00 1.30 O ATOM 0 H GLY A 96 2.845 -10.253 13.001 1.00 0.88 H new ATOM 0 HA2 GLY A 96 4.911 -10.851 13.777 1.00 0.99 H new ATOM 0 HA3 GLY A 96 4.280 -12.342 14.448 1.00 0.99 H new ATOM 1518 N GLU A 97 4.045 -12.613 11.279 1.00 1.03 N ATOM 1519 CA GLU A 97 4.597 -13.001 9.977 1.00 1.08 C ATOM 1520 C GLU A 97 5.333 -11.796 9.356 1.00 0.98 C ATOM 1521 O GLU A 97 5.279 -10.675 9.876 1.00 0.91 O ATOM 1522 CB GLU A 97 3.486 -13.448 9.004 1.00 1.11 C ATOM 1523 CG GLU A 97 2.397 -14.386 9.523 1.00 1.41 C ATOM 1524 CD GLU A 97 2.830 -15.837 9.675 1.00 1.45 C ATOM 1525 OE1 GLU A 97 2.574 -16.638 8.748 1.00 1.97 O ATOM 1526 OE2 GLU A 97 3.185 -16.252 10.798 1.00 2.73 O ATOM 0 H GLU A 97 3.036 -12.466 11.271 1.00 1.03 H new ATOM 0 HA GLU A 97 5.280 -13.835 10.137 1.00 1.08 H new ATOM 0 HB2 GLU A 97 2.997 -12.551 8.624 1.00 1.11 H new ATOM 0 HB3 GLU A 97 3.965 -13.934 8.154 1.00 1.11 H new ATOM 0 HG2 GLU A 97 2.052 -14.020 10.490 1.00 1.41 H new ATOM 0 HG3 GLU A 97 1.546 -14.344 8.844 1.00 1.41 H new ATOM 1533 N GLU A 98 5.896 -11.988 8.166 1.00 1.04 N ATOM 1534 CA GLU A 98 6.379 -10.960 7.276 1.00 1.02 C ATOM 1535 C GLU A 98 6.175 -11.444 5.838 1.00 0.97 C ATOM 1536 O GLU A 98 6.067 -12.635 5.556 1.00 1.15 O ATOM 1537 CB GLU A 98 7.823 -10.537 7.594 1.00 1.15 C ATOM 1538 CG GLU A 98 8.899 -11.617 7.413 1.00 1.90 C ATOM 1539 CD GLU A 98 10.300 -11.089 7.741 1.00 2.11 C ATOM 1540 OE1 GLU A 98 10.437 -9.859 7.935 1.00 2.56 O ATOM 1541 OE2 GLU A 98 11.229 -11.924 7.772 1.00 3.04 O ATOM 0 H GLU A 98 6.031 -12.924 7.784 1.00 1.04 H new ATOM 0 HA GLU A 98 5.806 -10.043 7.417 1.00 1.02 H new ATOM 0 HB2 GLU A 98 8.079 -9.688 6.960 1.00 1.15 H new ATOM 0 HB3 GLU A 98 7.859 -10.187 8.626 1.00 1.15 H new ATOM 0 HG2 GLU A 98 8.672 -12.467 8.056 1.00 1.90 H new ATOM 0 HG3 GLU A 98 8.879 -11.980 6.386 1.00 1.90 H new ATOM 1548 N VAL A 99 6.041 -10.468 4.961 1.00 0.79 N ATOM 1549 CA VAL A 99 5.617 -10.572 3.559 1.00 0.77 C ATOM 1550 C VAL A 99 6.406 -9.579 2.711 1.00 0.58 C ATOM 1551 O VAL A 99 6.675 -8.452 3.122 1.00 0.58 O ATOM 1552 CB VAL A 99 4.106 -10.276 3.419 1.00 0.88 C ATOM 1553 CG1 VAL A 99 3.628 -10.212 1.957 1.00 1.15 C ATOM 1554 CG2 VAL A 99 3.235 -11.305 4.162 1.00 1.10 C ATOM 0 H VAL A 99 6.239 -9.502 5.221 1.00 0.79 H new ATOM 0 HA VAL A 99 5.808 -11.589 3.216 1.00 0.77 H new ATOM 0 HB VAL A 99 3.985 -9.292 3.872 1.00 0.88 H new ATOM 0 HG11 VAL A 99 2.559 -10.001 1.933 1.00 1.15 H new ATOM 0 HG12 VAL A 99 4.166 -9.422 1.433 1.00 1.15 H new ATOM 0 HG13 VAL A 99 3.820 -11.168 1.469 1.00 1.15 H new ATOM 0 HG21 VAL A 99 2.183 -11.052 4.032 1.00 1.10 H new ATOM 0 HG22 VAL A 99 3.422 -12.300 3.757 1.00 1.10 H new ATOM 0 HG23 VAL A 99 3.483 -11.293 5.223 1.00 1.10 H new ATOM 1564 N GLU A 100 6.729 -10.005 1.497 1.00 0.60 N ATOM 1565 CA GLU A 100 7.406 -9.205 0.483 1.00 0.55 C ATOM 1566 C GLU A 100 6.434 -8.659 -0.575 1.00 0.54 C ATOM 1567 O GLU A 100 5.447 -9.312 -0.937 1.00 0.57 O ATOM 1568 CB GLU A 100 8.562 -10.010 -0.136 1.00 0.73 C ATOM 1569 CG GLU A 100 8.140 -11.264 -0.919 1.00 1.62 C ATOM 1570 CD GLU A 100 8.440 -11.095 -2.405 1.00 2.08 C ATOM 1571 OE1 GLU A 100 7.640 -10.457 -3.121 1.00 3.53 O ATOM 1572 OE2 GLU A 100 9.531 -11.518 -2.836 1.00 2.14 O ATOM 0 H GLU A 100 6.519 -10.951 1.179 1.00 0.60 H new ATOM 0 HA GLU A 100 7.830 -8.326 0.968 1.00 0.55 H new ATOM 0 HB2 GLU A 100 9.123 -9.356 -0.804 1.00 0.73 H new ATOM 0 HB3 GLU A 100 9.242 -10.310 0.661 1.00 0.73 H new ATOM 0 HG2 GLU A 100 8.668 -12.136 -0.533 1.00 1.62 H new ATOM 0 HG3 GLU A 100 7.075 -11.447 -0.776 1.00 1.62 H new ATOM 1579 N LEU A 101 6.738 -7.444 -1.041 1.00 0.60 N ATOM 1580 CA LEU A 101 6.089 -6.763 -2.159 1.00 0.59 C ATOM 1581 C LEU A 101 7.151 -6.230 -3.133 1.00 0.55 C ATOM 1582 O LEU A 101 8.144 -5.626 -2.716 1.00 0.53 O ATOM 1583 CB LEU A 101 5.222 -5.580 -1.659 1.00 0.66 C ATOM 1584 CG LEU A 101 3.707 -5.855 -1.544 1.00 0.91 C ATOM 1585 CD1 LEU A 101 3.323 -6.649 -0.287 1.00 1.48 C ATOM 1586 CD2 LEU A 101 2.939 -4.527 -1.516 1.00 1.68 C ATOM 0 H LEU A 101 7.482 -6.883 -0.626 1.00 0.60 H new ATOM 0 HA LEU A 101 5.446 -7.482 -2.666 1.00 0.59 H new ATOM 0 HB2 LEU A 101 5.591 -5.273 -0.681 1.00 0.66 H new ATOM 0 HB3 LEU A 101 5.368 -4.737 -2.334 1.00 0.66 H new ATOM 0 HG LEU A 101 3.444 -6.456 -2.414 1.00 0.91 H new ATOM 0 HD11 LEU A 101 2.244 -6.806 -0.271 1.00 1.48 H new ATOM 0 HD12 LEU A 101 3.830 -7.614 -0.297 1.00 1.48 H new ATOM 0 HD13 LEU A 101 3.622 -6.092 0.601 1.00 1.48 H new ATOM 0 HD21 LEU A 101 1.870 -4.726 -1.435 1.00 1.68 H new ATOM 0 HD22 LEU A 101 3.264 -3.937 -0.659 1.00 1.68 H new ATOM 0 HD23 LEU A 101 3.136 -3.973 -2.434 1.00 1.68 H new ATOM 1598 N ASP A 102 6.868 -6.381 -4.430 1.00 0.66 N ATOM 1599 CA ASP A 102 7.421 -5.579 -5.530 1.00 0.56 C ATOM 1600 C ASP A 102 6.470 -4.415 -5.843 1.00 0.62 C ATOM 1601 O ASP A 102 5.275 -4.622 -6.061 1.00 0.89 O ATOM 1602 CB ASP A 102 7.536 -6.421 -6.811 1.00 0.79 C ATOM 1603 CG ASP A 102 8.701 -7.404 -6.816 1.00 1.18 C ATOM 1604 OD1 ASP A 102 9.861 -6.956 -6.681 1.00 2.33 O ATOM 1605 OD2 ASP A 102 8.418 -8.622 -6.916 1.00 1.56 O ATOM 0 H ASP A 102 6.219 -7.096 -4.758 1.00 0.66 H new ATOM 0 HA ASP A 102 8.404 -5.221 -5.222 1.00 0.56 H new ATOM 0 HB2 ASP A 102 6.608 -6.975 -6.951 1.00 0.79 H new ATOM 0 HB3 ASP A 102 7.639 -5.750 -7.664 1.00 0.79 H new ATOM 1610 N LEU A 103 6.995 -3.194 -5.928 1.00 0.55 N ATOM 1611 CA LEU A 103 6.293 -2.001 -6.389 1.00 0.67 C ATOM 1612 C LEU A 103 6.555 -1.818 -7.893 1.00 0.67 C ATOM 1613 O LEU A 103 7.673 -2.042 -8.358 1.00 0.83 O ATOM 1614 CB LEU A 103 6.806 -0.793 -5.585 1.00 0.76 C ATOM 1615 CG LEU A 103 6.349 -0.704 -4.113 1.00 0.85 C ATOM 1616 CD1 LEU A 103 6.787 -1.873 -3.216 1.00 1.01 C ATOM 1617 CD2 LEU A 103 6.894 0.612 -3.529 1.00 1.02 C ATOM 0 H LEU A 103 7.962 -3.003 -5.666 1.00 0.55 H new ATOM 0 HA LEU A 103 5.218 -2.095 -6.236 1.00 0.67 H new ATOM 0 HB2 LEU A 103 7.896 -0.808 -5.604 1.00 0.76 H new ATOM 0 HB3 LEU A 103 6.491 0.117 -6.096 1.00 0.76 H new ATOM 0 HG LEU A 103 5.260 -0.747 -4.124 1.00 0.85 H new ATOM 0 HD11 LEU A 103 6.415 -1.714 -2.204 1.00 1.01 H new ATOM 0 HD12 LEU A 103 6.381 -2.805 -3.609 1.00 1.01 H new ATOM 0 HD13 LEU A 103 7.875 -1.930 -3.198 1.00 1.01 H new ATOM 0 HD21 LEU A 103 6.586 0.703 -2.487 1.00 1.02 H new ATOM 0 HD22 LEU A 103 7.982 0.613 -3.587 1.00 1.02 H new ATOM 0 HD23 LEU A 103 6.500 1.454 -4.098 1.00 1.02 H new ATOM 1629 N LEU A 104 5.529 -1.410 -8.653 1.00 0.56 N ATOM 1630 CA LEU A 104 5.565 -1.232 -10.107 1.00 0.58 C ATOM 1631 C LEU A 104 5.450 0.260 -10.472 1.00 0.65 C ATOM 1632 O LEU A 104 4.566 0.968 -9.975 1.00 0.49 O ATOM 1633 CB LEU A 104 4.414 -2.042 -10.736 1.00 0.59 C ATOM 1634 CG LEU A 104 4.347 -3.541 -10.357 1.00 0.58 C ATOM 1635 CD1 LEU A 104 3.123 -4.186 -11.022 1.00 0.74 C ATOM 1636 CD2 LEU A 104 5.614 -4.316 -10.750 1.00 0.65 C ATOM 0 H LEU A 104 4.617 -1.187 -8.254 1.00 0.56 H new ATOM 0 HA LEU A 104 6.516 -1.594 -10.498 1.00 0.58 H new ATOM 0 HB2 LEU A 104 3.471 -1.574 -10.452 1.00 0.59 H new ATOM 0 HB3 LEU A 104 4.494 -1.966 -11.820 1.00 0.59 H new ATOM 0 HG LEU A 104 4.265 -3.592 -9.271 1.00 0.58 H new ATOM 0 HD11 LEU A 104 3.077 -5.242 -10.754 1.00 0.74 H new ATOM 0 HD12 LEU A 104 2.217 -3.685 -10.680 1.00 0.74 H new ATOM 0 HD13 LEU A 104 3.204 -4.090 -12.105 1.00 0.74 H new ATOM 0 HD21 LEU A 104 5.507 -5.361 -10.458 1.00 0.65 H new ATOM 0 HD22 LEU A 104 5.759 -4.253 -11.828 1.00 0.65 H new ATOM 0 HD23 LEU A 104 6.477 -3.884 -10.242 1.00 0.65 H new ATOM 1648 N PHE A 105 6.332 0.752 -11.346 1.00 1.00 N ATOM 1649 CA PHE A 105 6.522 2.188 -11.584 1.00 0.95 C ATOM 1650 C PHE A 105 6.406 2.562 -13.067 1.00 0.95 C ATOM 1651 O PHE A 105 6.747 1.778 -13.958 1.00 1.29 O ATOM 1652 CB PHE A 105 7.918 2.576 -11.098 1.00 1.04 C ATOM 1653 CG PHE A 105 8.138 2.339 -9.626 1.00 1.12 C ATOM 1654 CD1 PHE A 105 7.831 3.349 -8.700 1.00 1.62 C ATOM 1655 CD2 PHE A 105 8.619 1.095 -9.177 1.00 2.51 C ATOM 1656 CE1 PHE A 105 8.037 3.121 -7.334 1.00 1.58 C ATOM 1657 CE2 PHE A 105 8.811 0.874 -7.811 1.00 2.71 C ATOM 1658 CZ PHE A 105 8.540 1.889 -6.885 1.00 1.47 C ATOM 0 H PHE A 105 6.940 0.161 -11.914 1.00 1.00 H new ATOM 0 HA PHE A 105 5.738 2.720 -11.045 1.00 0.95 H new ATOM 0 HB2 PHE A 105 8.659 2.010 -11.662 1.00 1.04 H new ATOM 0 HB3 PHE A 105 8.088 3.630 -11.316 1.00 1.04 H new ATOM 0 HD1 PHE A 105 7.438 4.296 -9.039 1.00 1.62 H new ATOM 0 HD2 PHE A 105 8.839 0.312 -9.888 1.00 2.51 H new ATOM 0 HE1 PHE A 105 7.807 3.898 -6.620 1.00 1.58 H new ATOM 0 HE2 PHE A 105 9.170 -0.085 -7.467 1.00 2.71 H new ATOM 0 HZ PHE A 105 8.717 1.725 -5.832 1.00 1.47 H new ATOM 1668 N ALA A 106 6.016 3.808 -13.336 1.00 0.70 N ATOM 1669 CA ALA A 106 5.964 4.350 -14.692 1.00 0.71 C ATOM 1670 C ALA A 106 7.363 4.407 -15.348 1.00 1.42 C ATOM 1671 O ALA A 106 8.349 4.861 -14.752 1.00 2.13 O ATOM 1672 CB ALA A 106 5.295 5.729 -14.665 1.00 1.29 C ATOM 0 H ALA A 106 5.727 4.471 -12.617 1.00 0.70 H new ATOM 0 HA ALA A 106 5.367 3.680 -15.310 1.00 0.71 H new ATOM 0 HB1 ALA A 106 5.256 6.134 -15.676 1.00 1.29 H new ATOM 0 HB2 ALA A 106 4.283 5.635 -14.272 1.00 1.29 H new ATOM 0 HB3 ALA A 106 5.870 6.400 -14.027 1.00 1.29 H new ATOM 1678 N GLY A 107 7.441 3.958 -16.606 1.00 2.35 N ATOM 1679 CA GLY A 107 8.654 4.055 -17.425 1.00 3.35 C ATOM 1680 C GLY A 107 9.762 3.087 -17.001 1.00 3.01 C ATOM 1681 O GLY A 107 10.912 3.507 -16.922 1.00 4.14 O ATOM 0 H GLY A 107 6.659 3.514 -17.087 1.00 2.35 H new ATOM 0 HA2 GLY A 107 8.395 3.863 -18.466 1.00 3.35 H new ATOM 0 HA3 GLY A 107 9.036 5.075 -17.374 1.00 3.35 H new ATOM 1685 N GLY A 108 9.416 1.831 -16.696 1.00 1.69 N ATOM 1686 CA GLY A 108 10.376 0.716 -16.663 1.00 1.61 C ATOM 1687 C GLY A 108 11.192 0.565 -15.380 1.00 1.45 C ATOM 1688 O GLY A 108 12.398 0.361 -15.460 1.00 1.99 O ATOM 0 H GLY A 108 8.461 1.556 -16.464 1.00 1.69 H new ATOM 0 HA2 GLY A 108 9.829 -0.212 -16.832 1.00 1.61 H new ATOM 0 HA3 GLY A 108 11.068 0.835 -17.497 1.00 1.61 H new ATOM 1692 N LYS A 109 10.566 0.641 -14.196 1.00 0.86 N ATOM 1693 CA LYS A 109 11.190 0.241 -12.928 1.00 0.73 C ATOM 1694 C LYS A 109 10.308 -0.722 -12.128 1.00 0.69 C ATOM 1695 O LYS A 109 9.082 -0.670 -12.221 1.00 1.06 O ATOM 1696 CB LYS A 109 11.532 1.453 -12.043 1.00 0.85 C ATOM 1697 CG LYS A 109 12.351 2.544 -12.730 1.00 1.10 C ATOM 1698 CD LYS A 109 11.430 3.656 -13.262 1.00 1.72 C ATOM 1699 CE LYS A 109 12.130 4.521 -14.308 1.00 2.28 C ATOM 1700 NZ LYS A 109 11.211 5.569 -14.816 1.00 3.46 N ATOM 0 H LYS A 109 9.611 0.983 -14.092 1.00 0.86 H new ATOM 0 HA LYS A 109 12.112 -0.269 -13.205 1.00 0.73 H new ATOM 0 HB2 LYS A 109 10.603 1.892 -11.679 1.00 0.85 H new ATOM 0 HB3 LYS A 109 12.082 1.102 -11.170 1.00 0.85 H new ATOM 0 HG2 LYS A 109 13.070 2.965 -12.027 1.00 1.10 H new ATOM 0 HG3 LYS A 109 12.924 2.114 -13.552 1.00 1.10 H new ATOM 0 HD2 LYS A 109 10.536 3.210 -13.698 1.00 1.72 H new ATOM 0 HD3 LYS A 109 11.101 4.283 -12.433 1.00 1.72 H new ATOM 0 HE2 LYS A 109 13.014 4.985 -13.872 1.00 2.28 H new ATOM 0 HE3 LYS A 109 12.472 3.898 -15.134 1.00 2.28 H new ATOM 0 HZ1 LYS A 109 11.446 5.787 -15.805 1.00 3.46 H new ATOM 0 HZ2 LYS A 109 10.230 5.228 -14.760 1.00 3.46 H new ATOM 0 HZ3 LYS A 109 11.312 6.428 -14.239 1.00 3.46 H new ATOM 1714 N VAL A 110 10.969 -1.515 -11.286 1.00 0.66 N ATOM 1715 CA VAL A 110 10.380 -2.410 -10.281 1.00 0.63 C ATOM 1716 C VAL A 110 11.307 -2.384 -9.057 1.00 0.65 C ATOM 1717 O VAL A 110 12.521 -2.237 -9.237 1.00 0.74 O ATOM 1718 CB VAL A 110 10.202 -3.859 -10.811 1.00 0.67 C ATOM 1719 CG1 VAL A 110 9.603 -4.799 -9.750 1.00 1.75 C ATOM 1720 CG2 VAL A 110 9.308 -3.909 -12.062 1.00 1.89 C ATOM 0 H VAL A 110 11.988 -1.555 -11.284 1.00 0.66 H new ATOM 0 HA VAL A 110 9.379 -2.065 -10.024 1.00 0.63 H new ATOM 0 HB VAL A 110 11.206 -4.199 -11.066 1.00 0.67 H new ATOM 0 HG11 VAL A 110 9.498 -5.800 -10.168 1.00 1.75 H new ATOM 0 HG12 VAL A 110 10.262 -4.836 -8.883 1.00 1.75 H new ATOM 0 HG13 VAL A 110 8.624 -4.428 -9.446 1.00 1.75 H new ATOM 0 HG21 VAL A 110 9.211 -4.941 -12.399 1.00 1.89 H new ATOM 0 HG22 VAL A 110 8.322 -3.511 -11.821 1.00 1.89 H new ATOM 0 HG23 VAL A 110 9.757 -3.310 -12.854 1.00 1.89 H new ATOM 1730 N LEU A 111 10.764 -2.469 -7.835 1.00 0.64 N ATOM 1731 CA LEU A 111 11.515 -2.227 -6.588 1.00 0.68 C ATOM 1732 C LEU A 111 10.907 -3.023 -5.421 1.00 0.66 C ATOM 1733 O LEU A 111 9.707 -2.930 -5.174 1.00 0.84 O ATOM 1734 CB LEU A 111 11.511 -0.703 -6.331 1.00 0.90 C ATOM 1735 CG LEU A 111 12.674 -0.113 -5.513 1.00 1.14 C ATOM 1736 CD1 LEU A 111 12.667 1.410 -5.714 1.00 2.61 C ATOM 1737 CD2 LEU A 111 12.581 -0.440 -4.017 1.00 1.71 C ATOM 0 H LEU A 111 9.785 -2.709 -7.679 1.00 0.64 H new ATOM 0 HA LEU A 111 12.545 -2.573 -6.679 1.00 0.68 H new ATOM 0 HB2 LEU A 111 11.492 -0.200 -7.298 1.00 0.90 H new ATOM 0 HB3 LEU A 111 10.581 -0.451 -5.822 1.00 0.90 H new ATOM 0 HG LEU A 111 13.603 -0.560 -5.867 1.00 1.14 H new ATOM 0 HD11 LEU A 111 13.482 1.856 -5.145 1.00 2.61 H new ATOM 0 HD12 LEU A 111 12.796 1.638 -6.772 1.00 2.61 H new ATOM 0 HD13 LEU A 111 11.717 1.818 -5.368 1.00 2.61 H new ATOM 0 HD21 LEU A 111 13.429 0.003 -3.494 1.00 1.71 H new ATOM 0 HD22 LEU A 111 11.653 -0.035 -3.613 1.00 1.71 H new ATOM 0 HD23 LEU A 111 12.595 -1.521 -3.879 1.00 1.71 H new ATOM 1749 N LYS A 112 11.714 -3.811 -4.702 1.00 0.77 N ATOM 1750 CA LYS A 112 11.236 -4.666 -3.605 1.00 0.84 C ATOM 1751 C LYS A 112 11.343 -3.995 -2.223 1.00 0.99 C ATOM 1752 O LYS A 112 12.399 -3.483 -1.848 1.00 1.30 O ATOM 1753 CB LYS A 112 11.991 -6.007 -3.644 1.00 1.28 C ATOM 1754 CG LYS A 112 11.533 -7.010 -2.557 1.00 1.73 C ATOM 1755 CD LYS A 112 11.253 -8.413 -3.110 1.00 1.63 C ATOM 1756 CE LYS A 112 9.967 -8.369 -3.944 1.00 2.51 C ATOM 1757 NZ LYS A 112 9.793 -9.585 -4.763 1.00 2.76 N ATOM 0 H LYS A 112 12.719 -3.875 -4.863 1.00 0.77 H new ATOM 0 HA LYS A 112 10.171 -4.842 -3.757 1.00 0.84 H new ATOM 0 HB2 LYS A 112 11.856 -6.462 -4.625 1.00 1.28 H new ATOM 0 HB3 LYS A 112 13.058 -5.817 -3.525 1.00 1.28 H new ATOM 0 HG2 LYS A 112 12.301 -7.077 -1.786 1.00 1.73 H new ATOM 0 HG3 LYS A 112 10.632 -6.629 -2.077 1.00 1.73 H new ATOM 0 HD2 LYS A 112 12.089 -8.751 -3.723 1.00 1.63 H new ATOM 0 HD3 LYS A 112 11.148 -9.127 -2.293 1.00 1.63 H new ATOM 0 HE2 LYS A 112 9.110 -8.253 -3.281 1.00 2.51 H new ATOM 0 HE3 LYS A 112 9.987 -7.495 -4.594 1.00 2.51 H new ATOM 0 HZ1 LYS A 112 8.887 -9.535 -5.271 1.00 2.76 H new ATOM 0 HZ2 LYS A 112 10.571 -9.656 -5.449 1.00 2.76 H new ATOM 0 HZ3 LYS A 112 9.798 -10.422 -4.146 1.00 2.76 H new ATOM 1771 N VAL A 113 10.277 -4.104 -1.422 1.00 0.89 N ATOM 1772 CA VAL A 113 10.284 -3.866 0.034 1.00 0.99 C ATOM 1773 C VAL A 113 9.738 -5.118 0.728 1.00 0.83 C ATOM 1774 O VAL A 113 8.949 -5.860 0.144 1.00 0.84 O ATOM 1775 CB VAL A 113 9.455 -2.629 0.471 1.00 1.18 C ATOM 1776 CG1 VAL A 113 9.874 -2.123 1.865 1.00 1.87 C ATOM 1777 CG2 VAL A 113 9.554 -1.451 -0.509 1.00 1.79 C ATOM 0 H VAL A 113 9.357 -4.368 -1.775 1.00 0.89 H new ATOM 0 HA VAL A 113 11.314 -3.657 0.324 1.00 0.99 H new ATOM 0 HB VAL A 113 8.424 -2.982 0.489 1.00 1.18 H new ATOM 0 HG11 VAL A 113 9.270 -1.256 2.134 1.00 1.87 H new ATOM 0 HG12 VAL A 113 9.722 -2.914 2.600 1.00 1.87 H new ATOM 0 HG13 VAL A 113 10.927 -1.841 1.848 1.00 1.87 H new ATOM 0 HG21 VAL A 113 8.951 -0.621 -0.142 1.00 1.79 H new ATOM 0 HG22 VAL A 113 10.594 -1.135 -0.594 1.00 1.79 H new ATOM 0 HG23 VAL A 113 9.188 -1.760 -1.488 1.00 1.79 H new ATOM 1787 N VAL A 114 10.149 -5.342 1.971 1.00 0.83 N ATOM 1788 CA VAL A 114 9.739 -6.490 2.801 1.00 0.77 C ATOM 1789 C VAL A 114 9.255 -5.941 4.143 1.00 0.74 C ATOM 1790 O VAL A 114 9.812 -4.955 4.632 1.00 0.90 O ATOM 1791 CB VAL A 114 10.879 -7.525 2.989 1.00 1.05 C ATOM 1792 CG1 VAL A 114 10.378 -8.785 3.717 1.00 1.99 C ATOM 1793 CG2 VAL A 114 11.482 -7.950 1.635 1.00 2.08 C ATOM 0 H VAL A 114 10.796 -4.717 2.452 1.00 0.83 H new ATOM 0 HA VAL A 114 8.937 -7.031 2.299 1.00 0.77 H new ATOM 0 HB VAL A 114 11.645 -7.036 3.591 1.00 1.05 H new ATOM 0 HG11 VAL A 114 11.201 -9.490 3.833 1.00 1.99 H new ATOM 0 HG12 VAL A 114 9.995 -8.509 4.700 1.00 1.99 H new ATOM 0 HG13 VAL A 114 9.582 -9.249 3.135 1.00 1.99 H new ATOM 0 HG21 VAL A 114 12.278 -8.676 1.803 1.00 2.08 H new ATOM 0 HG22 VAL A 114 10.706 -8.400 1.016 1.00 2.08 H new ATOM 0 HG23 VAL A 114 11.889 -7.076 1.128 1.00 2.08 H new ATOM 1803 N LEU A 115 8.175 -6.511 4.687 1.00 0.72 N ATOM 1804 CA LEU A 115 7.420 -5.914 5.788 1.00 0.81 C ATOM 1805 C LEU A 115 6.726 -6.960 6.685 1.00 0.74 C ATOM 1806 O LEU A 115 6.191 -7.939 6.152 1.00 0.73 O ATOM 1807 CB LEU A 115 6.405 -4.871 5.271 1.00 0.98 C ATOM 1808 CG LEU A 115 5.524 -5.276 4.067 1.00 1.37 C ATOM 1809 CD1 LEU A 115 4.183 -4.541 4.135 1.00 2.36 C ATOM 1810 CD2 LEU A 115 6.192 -4.903 2.736 1.00 1.80 C ATOM 0 H LEU A 115 7.799 -7.406 4.372 1.00 0.72 H new ATOM 0 HA LEU A 115 8.152 -5.405 6.415 1.00 0.81 H new ATOM 0 HB2 LEU A 115 5.746 -4.604 6.097 1.00 0.98 H new ATOM 0 HB3 LEU A 115 6.956 -3.971 4.998 1.00 0.98 H new ATOM 0 HG LEU A 115 5.383 -6.356 4.115 1.00 1.37 H new ATOM 0 HD11 LEU A 115 3.566 -4.830 3.284 1.00 2.36 H new ATOM 0 HD12 LEU A 115 3.671 -4.804 5.061 1.00 2.36 H new ATOM 0 HD13 LEU A 115 4.356 -3.465 4.109 1.00 2.36 H new ATOM 0 HD21 LEU A 115 5.547 -5.201 1.909 1.00 1.80 H new ATOM 0 HD22 LEU A 115 6.354 -3.826 2.700 1.00 1.80 H new ATOM 0 HD23 LEU A 115 7.150 -5.417 2.653 1.00 1.80 H new ATOM 1822 N PRO A 116 6.678 -6.744 8.018 1.00 0.81 N ATOM 1823 CA PRO A 116 5.957 -7.593 8.964 1.00 0.82 C ATOM 1824 C PRO A 116 4.436 -7.519 8.791 1.00 0.74 C ATOM 1825 O PRO A 116 3.905 -6.675 8.072 1.00 0.78 O ATOM 1826 CB PRO A 116 6.396 -7.125 10.359 1.00 0.97 C ATOM 1827 CG PRO A 116 6.733 -5.656 10.138 1.00 0.96 C ATOM 1828 CD PRO A 116 7.362 -5.683 8.748 1.00 0.93 C ATOM 0 HA PRO A 116 6.197 -8.643 8.797 1.00 0.82 H new ATOM 0 HB2 PRO A 116 5.602 -7.250 11.095 1.00 0.97 H new ATOM 0 HB3 PRO A 116 7.257 -7.687 10.720 1.00 0.97 H new ATOM 0 HG2 PRO A 116 5.846 -5.024 10.173 1.00 0.96 H new ATOM 0 HG3 PRO A 116 7.424 -5.278 10.892 1.00 0.96 H new ATOM 0 HD2 PRO A 116 7.241 -4.723 8.246 1.00 0.93 H new ATOM 0 HD3 PRO A 116 8.433 -5.878 8.808 1.00 0.93 H new ATOM 1836 N VAL A 117 3.728 -8.410 9.480 1.00 0.78 N ATOM 1837 CA VAL A 117 2.259 -8.485 9.502 1.00 0.76 C ATOM 1838 C VAL A 117 1.725 -8.259 10.930 1.00 0.90 C ATOM 1839 O VAL A 117 2.367 -8.667 11.900 1.00 0.83 O ATOM 1840 CB VAL A 117 1.816 -9.861 8.965 1.00 0.75 C ATOM 1841 CG1 VAL A 117 0.301 -9.963 8.777 1.00 0.84 C ATOM 1842 CG2 VAL A 117 2.472 -10.192 7.608 1.00 0.74 C ATOM 0 H VAL A 117 4.169 -9.125 10.059 1.00 0.78 H new ATOM 0 HA VAL A 117 1.847 -7.701 8.866 1.00 0.76 H new ATOM 0 HB VAL A 117 2.139 -10.572 9.726 1.00 0.75 H new ATOM 0 HG11 VAL A 117 0.047 -10.953 8.397 1.00 0.84 H new ATOM 0 HG12 VAL A 117 -0.196 -9.803 9.734 1.00 0.84 H new ATOM 0 HG13 VAL A 117 -0.029 -9.206 8.066 1.00 0.84 H new ATOM 0 HG21 VAL A 117 2.131 -11.170 7.268 1.00 0.74 H new ATOM 0 HG22 VAL A 117 2.193 -9.435 6.875 1.00 0.74 H new ATOM 0 HG23 VAL A 117 3.556 -10.205 7.721 1.00 0.74 H new ATOM 1852 N GLU A 118 0.556 -7.619 11.065 1.00 1.26 N ATOM 1853 CA GLU A 118 -0.046 -7.224 12.346 1.00 1.40 C ATOM 1854 C GLU A 118 -1.581 -7.355 12.350 1.00 1.68 C ATOM 1855 O GLU A 118 -2.254 -7.099 11.347 1.00 2.11 O ATOM 1856 CB GLU A 118 0.382 -5.780 12.702 1.00 1.61 C ATOM 1857 CG GLU A 118 1.371 -5.724 13.878 1.00 2.03 C ATOM 1858 CD GLU A 118 0.698 -5.967 15.235 1.00 3.42 C ATOM 1859 OE1 GLU A 118 -0.179 -6.855 15.312 1.00 4.73 O ATOM 1860 OE2 GLU A 118 1.029 -5.231 16.197 1.00 3.88 O ATOM 0 H GLU A 118 -0.014 -7.354 10.262 1.00 1.26 H new ATOM 0 HA GLU A 118 0.323 -7.913 13.106 1.00 1.40 H new ATOM 0 HB2 GLU A 118 0.838 -5.315 11.828 1.00 1.61 H new ATOM 0 HB3 GLU A 118 -0.503 -5.194 12.950 1.00 1.61 H new ATOM 0 HG2 GLU A 118 2.151 -6.470 13.726 1.00 2.03 H new ATOM 0 HG3 GLU A 118 1.859 -4.750 13.889 1.00 2.03 H new