USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 955 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 84 HIS : no HD1:sc= -0.513 X(o=-0.92,f=-0.51) USER MOD Set 1.2: A 85 SER OG : rot -99:sc= -0.409 USER MOD Single : A 1 MET CE :methyl 169:sc= -0.0695 (180deg=-0.213) USER MOD Single : A 1 MET N :NH3+ 168:sc= 0 (180deg=-0.174) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0219 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -150:sc= -0.347 USER MOD Single : A 31 THR OG1 : rot 158:sc= 0.655 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.05 K(o=-1.1,f=-6.1!) USER MOD Single : A 37 ASN : amide:sc= -0.0289 K(o=-0.029,f=-1.5) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -154:sc= -0.376 (180deg=-1.27) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -155:sc= -2 (180deg=-3.36!) USER MOD Single : A 60 MET CE :methyl -161:sc= -1.87 (180deg=-3.46!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.52 K(o=-1.5,f=-3.8!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 73 HIS : no HE2:sc= -1.43 K(o=-1.4,f=-2.4) USER MOD Single : A 75 MET CE :methyl -149:sc= 0 (180deg=-0.373) USER MOD Single : A 81 MET CE :methyl -142:sc= -1.86! (180deg=-5.63!) USER MOD Single : A 82 THR OG1 : rot -140:sc= 0.121 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0157 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0575 X(o=-0.058,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot -108:sc= 0.27 USER MOD Single : A 104 LYS NZ :NH3+ -110:sc= 0.402 (180deg=-0.413) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 TYR OH : rot 149:sc= 0.34 USER MOD Single : A 123 GLN : amide:sc= -0.0335 K(o=-0.033,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.205 1.284 -5.804 1.00 2.43 N ATOM 2 CA MET A 1 -1.063 0.762 -5.062 1.00 32.22 C ATOM 3 C MET A 1 -0.164 1.895 -4.579 1.00 1.24 C ATOM 4 O MET A 1 1.060 1.765 -4.566 1.00 12.22 O ATOM 5 CB MET A 1 -0.260 -0.205 -5.934 1.00 35.40 C ATOM 6 CG MET A 1 -0.917 -1.567 -6.094 1.00 23.11 C ATOM 7 SD MET A 1 -0.086 -2.855 -5.144 1.00 4.54 S ATOM 8 CE MET A 1 -0.186 -2.173 -3.490 1.00 42.02 C ATOM 0 H1 MET A 1 -2.688 0.503 -6.292 1.00 2.43 H new ATOM 0 H2 MET A 1 -2.867 1.743 -5.146 1.00 2.43 H new ATOM 0 H3 MET A 1 -1.876 1.979 -6.504 1.00 2.43 H new ATOM 0 HA MET A 1 -1.442 0.226 -4.191 1.00 32.22 H new ATOM 0 HB2 MET A 1 -0.118 0.239 -6.919 1.00 35.40 H new ATOM 0 HB3 MET A 1 0.730 -0.337 -5.499 1.00 35.40 H new ATOM 0 HG2 MET A 1 -1.958 -1.503 -5.779 1.00 23.11 H new ATOM 0 HG3 MET A 1 -0.920 -1.843 -7.148 1.00 23.11 H new ATOM 0 HE1 MET A 1 0.106 -2.933 -2.765 1.00 42.02 H new ATOM 0 HE2 MET A 1 0.484 -1.317 -3.408 1.00 42.02 H new ATOM 0 HE3 MET A 1 -1.209 -1.854 -3.289 1.00 42.02 H new ATOM 18 N GLN A 2 -0.779 3.005 -4.183 1.00 21.02 N ATOM 19 CA GLN A 2 -0.032 4.161 -3.700 1.00 74.20 C ATOM 20 C GLN A 2 -0.939 5.108 -2.921 1.00 72.21 C ATOM 21 O GLN A 2 -1.516 6.037 -3.487 1.00 65.23 O ATOM 22 CB GLN A 2 0.614 4.903 -4.871 1.00 72.44 C ATOM 23 CG GLN A 2 -0.325 5.117 -6.048 1.00 64.40 C ATOM 24 CD GLN A 2 -0.107 6.452 -6.733 1.00 30.44 C ATOM 25 OE1 GLN A 2 -0.635 7.477 -6.301 1.00 5.13 O ATOM 26 NE2 GLN A 2 0.673 6.446 -7.807 1.00 5.11 N ATOM 0 H GLN A 2 -1.792 3.128 -4.187 1.00 21.02 H new ATOM 0 HA GLN A 2 0.750 3.803 -3.030 1.00 74.20 H new ATOM 0 HB2 GLN A 2 0.973 5.871 -4.523 1.00 72.44 H new ATOM 0 HB3 GLN A 2 1.485 4.342 -5.209 1.00 72.44 H new ATOM 0 HG2 GLN A 2 -0.183 4.314 -6.772 1.00 64.40 H new ATOM 0 HG3 GLN A 2 -1.356 5.055 -5.701 1.00 64.40 H new ATOM 0 HE21 GLN A 2 1.090 5.573 -8.130 1.00 5.11 H new ATOM 0 HE22 GLN A 2 0.855 7.315 -8.310 1.00 5.11 H new ATOM 35 N ARG A 3 -1.061 4.866 -1.620 1.00 72.10 N ATOM 36 CA ARG A 3 -1.899 5.696 -0.764 1.00 13.43 C ATOM 37 C ARG A 3 -1.755 5.288 0.699 1.00 32.23 C ATOM 38 O ARG A 3 -0.864 4.518 1.055 1.00 43.14 O ATOM 39 CB ARG A 3 -3.364 5.592 -1.192 1.00 33.23 C ATOM 40 CG ARG A 3 -4.035 4.300 -0.756 1.00 33.44 C ATOM 41 CD ARG A 3 -5.116 4.556 0.283 1.00 52.11 C ATOM 42 NE ARG A 3 -6.458 4.433 -0.281 1.00 44.45 N ATOM 43 CZ ARG A 3 -7.552 4.269 0.453 1.00 22.34 C ATOM 44 NH1 ARG A 3 -7.464 4.208 1.775 1.00 61.01 N ATOM 45 NH2 ARG A 3 -8.737 4.165 -0.134 1.00 13.14 N ATOM 0 H ARG A 3 -0.590 4.102 -1.136 1.00 72.10 H new ATOM 0 HA ARG A 3 -1.570 6.730 -0.869 1.00 13.43 H new ATOM 0 HB2 ARG A 3 -3.916 6.436 -0.778 1.00 33.23 H new ATOM 0 HB3 ARG A 3 -3.423 5.674 -2.277 1.00 33.23 H new ATOM 0 HG2 ARG A 3 -4.472 3.805 -1.623 1.00 33.44 H new ATOM 0 HG3 ARG A 3 -3.288 3.621 -0.345 1.00 33.44 H new ATOM 0 HD2 ARG A 3 -5.002 3.850 1.106 1.00 52.11 H new ATOM 0 HD3 ARG A 3 -4.988 5.555 0.700 1.00 52.11 H new ATOM 0 HE ARG A 3 -6.560 4.475 -1.295 1.00 44.45 H new ATOM 0 HH11 ARG A 3 -6.554 4.287 2.230 1.00 61.01 H new ATOM 0 HH12 ARG A 3 -8.306 4.082 2.337 1.00 61.01 H new ATOM 0 HH21 ARG A 3 -8.808 4.211 -1.150 1.00 13.14 H new ATOM 0 HH22 ARG A 3 -9.577 4.039 0.431 1.00 13.14 H new ATOM 59 N GLY A 4 -2.639 5.810 1.544 1.00 34.33 N ATOM 60 CA GLY A 4 -2.593 5.488 2.959 1.00 50.43 C ATOM 61 C GLY A 4 -3.237 6.559 3.818 1.00 63.42 C ATOM 62 O GLY A 4 -3.248 7.734 3.452 1.00 43.24 O ATOM 0 H GLY A 4 -3.386 6.450 1.274 1.00 34.33 H new ATOM 0 HA2 GLY A 4 -3.099 4.537 3.129 1.00 50.43 H new ATOM 0 HA3 GLY A 4 -1.555 5.356 3.265 1.00 50.43 H new ATOM 66 N ILE A 5 -3.776 6.152 4.962 1.00 24.41 N ATOM 67 CA ILE A 5 -4.425 7.085 5.875 1.00 64.43 C ATOM 68 C ILE A 5 -3.405 8.008 6.534 1.00 74.22 C ATOM 69 O ILE A 5 -2.682 7.603 7.443 1.00 23.45 O ATOM 70 CB ILE A 5 -5.213 6.344 6.970 1.00 34.45 C ATOM 71 CG1 ILE A 5 -6.103 5.265 6.348 1.00 4.14 C ATOM 72 CG2 ILE A 5 -6.049 7.326 7.778 1.00 62.12 C ATOM 73 CD1 ILE A 5 -6.823 4.413 7.370 1.00 54.14 C ATOM 0 H ILE A 5 -3.776 5.182 5.279 1.00 24.41 H new ATOM 0 HA ILE A 5 -5.118 7.679 5.280 1.00 64.43 H new ATOM 0 HB ILE A 5 -4.504 5.861 7.642 1.00 34.45 H new ATOM 0 HG12 ILE A 5 -6.839 5.741 5.700 1.00 4.14 H new ATOM 0 HG13 ILE A 5 -5.492 4.621 5.716 1.00 4.14 H new ATOM 0 HG21 ILE A 5 -6.600 6.787 8.548 1.00 62.12 H new ATOM 0 HG22 ILE A 5 -5.395 8.061 8.247 1.00 62.12 H new ATOM 0 HG23 ILE A 5 -6.752 7.835 7.118 1.00 62.12 H new ATOM 0 HD11 ILE A 5 -7.435 3.670 6.858 1.00 54.14 H new ATOM 0 HD12 ILE A 5 -6.093 3.908 8.002 1.00 54.14 H new ATOM 0 HD13 ILE A 5 -7.461 5.046 7.987 1.00 54.14 H new ATOM 85 N VAL A 6 -3.355 9.252 6.070 1.00 53.44 N ATOM 86 CA VAL A 6 -2.427 10.235 6.616 1.00 40.24 C ATOM 87 C VAL A 6 -3.149 11.232 7.515 1.00 43.51 C ATOM 88 O VAL A 6 -3.804 12.156 7.033 1.00 13.32 O ATOM 89 CB VAL A 6 -1.700 11.003 5.496 1.00 43.01 C ATOM 90 CG1 VAL A 6 -0.783 12.064 6.085 1.00 45.14 C ATOM 91 CG2 VAL A 6 -0.919 10.042 4.612 1.00 3.31 C ATOM 0 H VAL A 6 -3.946 9.603 5.317 1.00 53.44 H new ATOM 0 HA VAL A 6 -1.693 9.685 7.205 1.00 40.24 H new ATOM 0 HB VAL A 6 -2.446 11.504 4.879 1.00 43.01 H new ATOM 0 HG11 VAL A 6 -0.278 12.596 5.279 1.00 45.14 H new ATOM 0 HG12 VAL A 6 -1.372 12.769 6.672 1.00 45.14 H new ATOM 0 HG13 VAL A 6 -0.041 11.588 6.726 1.00 45.14 H new ATOM 0 HG21 VAL A 6 -0.412 10.601 3.826 1.00 3.31 H new ATOM 0 HG22 VAL A 6 -0.181 9.512 5.214 1.00 3.31 H new ATOM 0 HG23 VAL A 6 -1.604 9.324 4.162 1.00 3.31 H new ATOM 101 N TRP A 7 -3.023 11.040 8.823 1.00 70.42 N ATOM 102 CA TRP A 7 -3.663 11.923 9.790 1.00 14.25 C ATOM 103 C TRP A 7 -2.652 12.888 10.399 1.00 21.15 C ATOM 104 O TRP A 7 -1.624 12.470 10.932 1.00 2.03 O ATOM 105 CB TRP A 7 -4.334 11.104 10.894 1.00 20.14 C ATOM 106 CG TRP A 7 -5.593 10.424 10.448 1.00 0.11 C ATOM 107 CD1 TRP A 7 -6.120 10.421 9.188 1.00 31.52 C ATOM 108 CD2 TRP A 7 -6.483 9.651 11.260 1.00 72.42 C ATOM 109 NE1 TRP A 7 -7.285 9.691 9.168 1.00 45.31 N ATOM 110 CE2 TRP A 7 -7.529 9.208 10.426 1.00 24.30 C ATOM 111 CE3 TRP A 7 -6.498 9.287 12.609 1.00 0.11 C ATOM 112 CZ2 TRP A 7 -8.576 8.422 10.900 1.00 51.14 C ATOM 113 CZ3 TRP A 7 -7.538 8.508 13.078 1.00 74.34 C ATOM 114 CH2 TRP A 7 -8.565 8.081 12.225 1.00 53.32 C ATOM 0 H TRP A 7 -2.483 10.280 9.238 1.00 70.42 H new ATOM 0 HA TRP A 7 -4.422 12.504 9.266 1.00 14.25 H new ATOM 0 HB2 TRP A 7 -3.632 10.352 11.256 1.00 20.14 H new ATOM 0 HB3 TRP A 7 -4.562 11.759 11.735 1.00 20.14 H new ATOM 0 HD1 TRP A 7 -5.686 10.919 8.333 1.00 31.52 H new ATOM 0 HE1 TRP A 7 -7.872 9.535 8.349 1.00 45.31 H new ATOM 0 HE3 TRP A 7 -5.710 9.609 13.274 1.00 0.11 H new ATOM 0 HZ2 TRP A 7 -9.369 8.093 10.245 1.00 51.14 H new ATOM 0 HZ3 TRP A 7 -7.560 8.223 14.120 1.00 74.34 H new ATOM 0 HH2 TRP A 7 -9.363 7.471 12.621 1.00 53.32 H new ATOM 125 N VAL A 8 -2.950 14.181 10.318 1.00 62.25 N ATOM 126 CA VAL A 8 -2.066 15.205 10.862 1.00 34.12 C ATOM 127 C VAL A 8 -2.837 16.186 11.739 1.00 61.41 C ATOM 128 O VAL A 8 -3.629 16.988 11.244 1.00 22.10 O ATOM 129 CB VAL A 8 -1.354 15.985 9.742 1.00 40.44 C ATOM 130 CG1 VAL A 8 -0.484 17.087 10.328 1.00 71.02 C ATOM 131 CG2 VAL A 8 -0.527 15.043 8.880 1.00 41.43 C ATOM 0 H VAL A 8 -3.797 14.544 9.881 1.00 62.25 H new ATOM 0 HA VAL A 8 -1.319 14.690 11.466 1.00 34.12 H new ATOM 0 HB VAL A 8 -2.110 16.450 9.110 1.00 40.44 H new ATOM 0 HG11 VAL A 8 0.011 17.627 9.521 1.00 71.02 H new ATOM 0 HG12 VAL A 8 -1.106 17.777 10.899 1.00 71.02 H new ATOM 0 HG13 VAL A 8 0.267 16.647 10.985 1.00 71.02 H new ATOM 0 HG21 VAL A 8 -0.031 15.611 8.093 1.00 41.43 H new ATOM 0 HG22 VAL A 8 0.222 14.548 9.498 1.00 41.43 H new ATOM 0 HG23 VAL A 8 -1.179 14.294 8.430 1.00 41.43 H new ATOM 141 N VAL A 9 -2.599 16.116 13.045 1.00 54.20 N ATOM 142 CA VAL A 9 -3.270 16.999 13.992 1.00 43.10 C ATOM 143 C VAL A 9 -2.340 18.115 14.455 1.00 13.41 C ATOM 144 O VAL A 9 -1.385 17.876 15.194 1.00 35.54 O ATOM 145 CB VAL A 9 -3.775 16.223 15.223 1.00 64.33 C ATOM 146 CG1 VAL A 9 -2.613 15.565 15.953 1.00 55.13 C ATOM 147 CG2 VAL A 9 -4.547 17.145 16.154 1.00 61.11 C ATOM 0 H VAL A 9 -1.947 15.457 13.471 1.00 54.20 H new ATOM 0 HA VAL A 9 -4.123 17.433 13.471 1.00 43.10 H new ATOM 0 HB VAL A 9 -4.451 15.438 14.884 1.00 64.33 H new ATOM 0 HG11 VAL A 9 -2.989 15.021 16.820 1.00 55.13 H new ATOM 0 HG12 VAL A 9 -2.107 14.872 15.281 1.00 55.13 H new ATOM 0 HG13 VAL A 9 -1.910 16.330 16.282 1.00 55.13 H new ATOM 0 HG21 VAL A 9 -4.896 16.580 17.018 1.00 61.11 H new ATOM 0 HG22 VAL A 9 -3.896 17.953 16.488 1.00 61.11 H new ATOM 0 HG23 VAL A 9 -5.403 17.564 15.624 1.00 61.11 H new ATOM 157 N ASP A 10 -2.626 19.336 14.016 1.00 14.11 N ATOM 158 CA ASP A 10 -1.817 20.491 14.387 1.00 51.22 C ATOM 159 C ASP A 10 -2.590 21.788 14.171 1.00 53.34 C ATOM 160 O ASP A 10 -3.587 21.816 13.448 1.00 64.32 O ATOM 161 CB ASP A 10 -0.521 20.514 13.575 1.00 0.22 C ATOM 162 CG ASP A 10 -0.708 21.130 12.203 1.00 52.24 C ATOM 163 OD1 ASP A 10 -0.759 22.375 12.112 1.00 22.14 O ATOM 164 OD2 ASP A 10 -0.803 20.368 11.219 1.00 72.45 O ATOM 0 H ASP A 10 -3.412 19.551 13.403 1.00 14.11 H new ATOM 0 HA ASP A 10 -1.572 20.407 15.446 1.00 51.22 H new ATOM 0 HB2 ASP A 10 0.237 21.075 14.122 1.00 0.22 H new ATOM 0 HB3 ASP A 10 -0.147 19.496 13.465 1.00 0.22 H new ATOM 169 N ASP A 11 -2.125 22.860 14.802 1.00 15.35 N ATOM 170 CA ASP A 11 -2.773 24.161 14.679 1.00 11.15 C ATOM 171 C ASP A 11 -1.926 25.113 13.841 1.00 4.13 C ATOM 172 O ASP A 11 -1.212 25.961 14.378 1.00 63.41 O ATOM 173 CB ASP A 11 -3.022 24.764 16.063 1.00 22.31 C ATOM 174 CG ASP A 11 -4.460 24.601 16.515 1.00 3.53 C ATOM 175 OD1 ASP A 11 -4.879 23.451 16.760 1.00 60.43 O ATOM 176 OD2 ASP A 11 -5.166 25.625 16.626 1.00 44.54 O ATOM 0 H ASP A 11 -1.302 22.854 15.404 1.00 15.35 H new ATOM 0 HA ASP A 11 -3.730 24.017 14.177 1.00 11.15 H new ATOM 0 HB2 ASP A 11 -2.360 24.289 16.787 1.00 22.31 H new ATOM 0 HB3 ASP A 11 -2.767 25.824 16.046 1.00 22.31 H new ATOM 181 N ASP A 12 -2.009 24.967 12.524 1.00 63.44 N ATOM 182 CA ASP A 12 -1.249 25.813 11.611 1.00 54.23 C ATOM 183 C ASP A 12 -1.826 25.746 10.200 1.00 34.22 C ATOM 184 O ASP A 12 -2.077 24.662 9.673 1.00 54.34 O ATOM 185 CB ASP A 12 0.221 25.392 11.594 1.00 11.14 C ATOM 186 CG ASP A 12 1.161 26.563 11.803 1.00 51.11 C ATOM 187 OD1 ASP A 12 0.899 27.643 11.233 1.00 44.24 O ATOM 188 OD2 ASP A 12 2.158 26.400 12.537 1.00 74.21 O ATOM 0 H ASP A 12 -2.595 24.270 12.064 1.00 63.44 H new ATOM 0 HA ASP A 12 -1.320 26.841 11.965 1.00 54.23 H new ATOM 0 HB2 ASP A 12 0.392 24.649 12.373 1.00 11.14 H new ATOM 0 HB3 ASP A 12 0.448 24.913 10.641 1.00 11.14 H new ATOM 193 N SER A 13 -2.035 26.911 9.595 1.00 33.24 N ATOM 194 CA SER A 13 -2.587 26.984 8.248 1.00 55.32 C ATOM 195 C SER A 13 -1.524 26.652 7.206 1.00 62.51 C ATOM 196 O SER A 13 -1.840 26.247 6.087 1.00 20.43 O ATOM 197 CB SER A 13 -3.158 28.379 7.983 1.00 31.10 C ATOM 198 OG SER A 13 -2.185 29.225 7.394 1.00 33.34 O ATOM 0 H SER A 13 -1.830 27.817 10.017 1.00 33.24 H new ATOM 0 HA SER A 13 -3.389 26.250 8.171 1.00 55.32 H new ATOM 0 HB2 SER A 13 -4.024 28.302 7.325 1.00 31.10 H new ATOM 0 HB3 SER A 13 -3.506 28.817 8.919 1.00 31.10 H new ATOM 0 HG SER A 13 -2.575 30.110 7.233 1.00 33.34 H new ATOM 204 N SER A 14 -0.261 26.826 7.582 1.00 21.53 N ATOM 205 CA SER A 14 0.851 26.548 6.680 1.00 33.24 C ATOM 206 C SER A 14 1.152 25.053 6.634 1.00 71.14 C ATOM 207 O SER A 14 1.074 24.426 5.577 1.00 71.23 O ATOM 208 CB SER A 14 2.097 27.317 7.121 1.00 4.14 C ATOM 209 OG SER A 14 2.313 27.182 8.515 1.00 3.34 O ATOM 0 H SER A 14 0.018 27.158 8.505 1.00 21.53 H new ATOM 0 HA SER A 14 0.566 26.875 5.680 1.00 33.24 H new ATOM 0 HB2 SER A 14 2.967 26.948 6.578 1.00 4.14 H new ATOM 0 HB3 SER A 14 1.986 28.371 6.867 1.00 4.14 H new ATOM 0 HG SER A 14 3.116 27.681 8.771 1.00 3.34 H new ATOM 215 N ILE A 15 1.496 24.489 7.786 1.00 21.13 N ATOM 216 CA ILE A 15 1.808 23.068 7.878 1.00 61.01 C ATOM 217 C ILE A 15 0.657 22.217 7.352 1.00 13.42 C ATOM 218 O ILE A 15 0.873 21.160 6.759 1.00 12.34 O ATOM 219 CB ILE A 15 2.118 22.652 9.328 1.00 44.00 C ATOM 220 CG1 ILE A 15 3.143 23.605 9.947 1.00 63.23 C ATOM 221 CG2 ILE A 15 2.626 21.219 9.371 1.00 63.44 C ATOM 222 CD1 ILE A 15 4.403 23.755 9.123 1.00 50.13 C ATOM 0 H ILE A 15 1.566 24.994 8.669 1.00 21.13 H new ATOM 0 HA ILE A 15 2.692 22.899 7.263 1.00 61.01 H new ATOM 0 HB ILE A 15 1.199 22.708 9.911 1.00 44.00 H new ATOM 0 HG12 ILE A 15 2.684 24.585 10.076 1.00 63.23 H new ATOM 0 HG13 ILE A 15 3.409 23.244 10.941 1.00 63.23 H new ATOM 0 HG21 ILE A 15 2.841 20.940 10.403 1.00 63.44 H new ATOM 0 HG22 ILE A 15 1.866 20.551 8.965 1.00 63.44 H new ATOM 0 HG23 ILE A 15 3.536 21.137 8.776 1.00 63.44 H new ATOM 0 HD11 ILE A 15 5.084 24.445 9.622 1.00 50.13 H new ATOM 0 HD12 ILE A 15 4.885 22.783 9.015 1.00 50.13 H new ATOM 0 HD13 ILE A 15 4.149 24.145 8.137 1.00 50.13 H new ATOM 234 N ARG A 16 -0.567 22.687 7.572 1.00 20.11 N ATOM 235 CA ARG A 16 -1.753 21.970 7.120 1.00 71.20 C ATOM 236 C ARG A 16 -1.937 22.119 5.612 1.00 24.55 C ATOM 237 O ARG A 16 -2.392 21.194 4.939 1.00 53.52 O ATOM 238 CB ARG A 16 -2.995 22.485 7.849 1.00 34.11 C ATOM 239 CG ARG A 16 -3.111 21.988 9.281 1.00 50.21 C ATOM 240 CD ARG A 16 -4.132 20.868 9.401 1.00 22.41 C ATOM 241 NE ARG A 16 -4.894 20.953 10.644 1.00 72.42 N ATOM 242 CZ ARG A 16 -5.892 21.808 10.837 1.00 72.23 C ATOM 243 NH1 ARG A 16 -6.247 22.646 9.873 1.00 44.41 N ATOM 244 NH2 ARG A 16 -6.538 21.825 11.996 1.00 73.24 N ATOM 0 H ARG A 16 -0.763 23.561 8.060 1.00 20.11 H new ATOM 0 HA ARG A 16 -1.617 20.913 7.350 1.00 71.20 H new ATOM 0 HB2 ARG A 16 -2.978 23.575 7.852 1.00 34.11 H new ATOM 0 HB3 ARG A 16 -3.883 22.181 7.295 1.00 34.11 H new ATOM 0 HG2 ARG A 16 -2.139 21.634 9.624 1.00 50.21 H new ATOM 0 HG3 ARG A 16 -3.397 22.814 9.932 1.00 50.21 H new ATOM 0 HD2 ARG A 16 -4.816 20.908 8.553 1.00 22.41 H new ATOM 0 HD3 ARG A 16 -3.622 19.906 9.354 1.00 22.41 H new ATOM 0 HE ARG A 16 -4.646 20.321 11.406 1.00 72.42 H new ATOM 0 HH11 ARG A 16 -5.753 22.635 8.980 1.00 44.41 H new ATOM 0 HH12 ARG A 16 -7.014 23.302 10.024 1.00 44.41 H new ATOM 0 HH21 ARG A 16 -6.268 21.181 12.740 1.00 73.24 H new ATOM 0 HH22 ARG A 16 -7.304 22.482 12.143 1.00 73.24 H new ATOM 258 N TRP A 17 -1.580 23.287 5.091 1.00 63.50 N ATOM 259 CA TRP A 17 -1.706 23.556 3.663 1.00 4.31 C ATOM 260 C TRP A 17 -0.704 22.731 2.863 1.00 74.32 C ATOM 261 O TRP A 17 -1.086 21.936 2.003 1.00 12.52 O ATOM 262 CB TRP A 17 -1.496 25.046 3.384 1.00 32.51 C ATOM 263 CG TRP A 17 -1.216 25.346 1.943 1.00 51.22 C ATOM 264 CD1 TRP A 17 -2.112 25.328 0.913 1.00 75.14 C ATOM 265 CD2 TRP A 17 0.046 25.708 1.372 1.00 23.15 C ATOM 266 NE1 TRP A 17 -1.483 25.657 -0.264 1.00 32.51 N ATOM 267 CE2 TRP A 17 -0.159 25.895 -0.009 1.00 3.04 C ATOM 268 CE3 TRP A 17 1.329 25.894 1.894 1.00 23.00 C ATOM 269 CZ2 TRP A 17 0.872 26.257 -0.871 1.00 41.45 C ATOM 270 CZ3 TRP A 17 2.351 26.253 1.036 1.00 4.33 C ATOM 271 CH2 TRP A 17 2.118 26.433 -0.334 1.00 22.23 C ATOM 0 H TRP A 17 -1.201 24.062 5.635 1.00 63.50 H new ATOM 0 HA TRP A 17 -2.712 23.273 3.352 1.00 4.31 H new ATOM 0 HB2 TRP A 17 -2.384 25.596 3.696 1.00 32.51 H new ATOM 0 HB3 TRP A 17 -0.667 25.409 3.991 1.00 32.51 H new ATOM 0 HD1 TRP A 17 -3.161 25.090 1.009 1.00 75.14 H new ATOM 0 HE1 TRP A 17 -1.930 25.715 -1.179 1.00 32.51 H new ATOM 0 HE3 TRP A 17 1.518 25.760 2.949 1.00 23.00 H new ATOM 0 HZ2 TRP A 17 0.695 26.394 -1.927 1.00 41.45 H new ATOM 0 HZ3 TRP A 17 3.347 26.397 1.428 1.00 4.33 H new ATOM 0 HH2 TRP A 17 2.937 26.716 -0.978 1.00 22.23 H new ATOM 282 N VAL A 18 0.579 22.923 3.151 1.00 41.14 N ATOM 283 CA VAL A 18 1.635 22.195 2.458 1.00 23.20 C ATOM 284 C VAL A 18 1.357 20.696 2.453 1.00 22.22 C ATOM 285 O VAL A 18 1.667 19.999 1.486 1.00 23.32 O ATOM 286 CB VAL A 18 3.010 22.449 3.105 1.00 33.34 C ATOM 287 CG1 VAL A 18 3.567 23.794 2.665 1.00 63.41 C ATOM 288 CG2 VAL A 18 2.906 22.376 4.621 1.00 14.13 C ATOM 0 H VAL A 18 0.912 23.577 3.860 1.00 41.14 H new ATOM 0 HA VAL A 18 1.651 22.562 1.432 1.00 23.20 H new ATOM 0 HB VAL A 18 3.698 21.672 2.773 1.00 33.34 H new ATOM 0 HG11 VAL A 18 4.538 23.956 3.132 1.00 63.41 H new ATOM 0 HG12 VAL A 18 3.679 23.804 1.581 1.00 63.41 H new ATOM 0 HG13 VAL A 18 2.883 24.587 2.966 1.00 63.41 H new ATOM 0 HG21 VAL A 18 3.886 22.558 5.062 1.00 14.13 H new ATOM 0 HG22 VAL A 18 2.203 23.131 4.974 1.00 14.13 H new ATOM 0 HG23 VAL A 18 2.554 21.387 4.914 1.00 14.13 H new ATOM 298 N LEU A 19 0.770 20.205 3.539 1.00 3.33 N ATOM 299 CA LEU A 19 0.449 18.788 3.661 1.00 31.42 C ATOM 300 C LEU A 19 -0.678 18.401 2.709 1.00 14.01 C ATOM 301 O LEU A 19 -0.521 17.509 1.876 1.00 11.21 O ATOM 302 CB LEU A 19 0.052 18.456 5.101 1.00 42.21 C ATOM 303 CG LEU A 19 1.117 17.758 5.947 1.00 62.53 C ATOM 304 CD1 LEU A 19 0.655 17.633 7.390 1.00 23.13 C ATOM 305 CD2 LEU A 19 1.443 16.388 5.369 1.00 23.00 C ATOM 0 H LEU A 19 0.507 20.768 4.348 1.00 3.33 H new ATOM 0 HA LEU A 19 1.338 18.216 3.395 1.00 31.42 H new ATOM 0 HB2 LEU A 19 -0.231 19.382 5.601 1.00 42.21 H new ATOM 0 HB3 LEU A 19 -0.835 17.823 5.075 1.00 42.21 H new ATOM 0 HG LEU A 19 2.023 18.364 5.928 1.00 62.53 H new ATOM 0 HD11 LEU A 19 1.426 17.134 7.977 1.00 23.13 H new ATOM 0 HD12 LEU A 19 0.472 18.626 7.801 1.00 23.13 H new ATOM 0 HD13 LEU A 19 -0.265 17.050 7.428 1.00 23.13 H new ATOM 0 HD21 LEU A 19 2.203 15.905 5.984 1.00 23.00 H new ATOM 0 HD22 LEU A 19 0.542 15.774 5.357 1.00 23.00 H new ATOM 0 HD23 LEU A 19 1.818 16.502 4.352 1.00 23.00 H new ATOM 317 N GLU A 20 -1.814 19.080 2.838 1.00 10.11 N ATOM 318 CA GLU A 20 -2.967 18.808 1.988 1.00 62.23 C ATOM 319 C GLU A 20 -2.575 18.840 0.513 1.00 1.02 C ATOM 320 O GLU A 20 -2.857 17.905 -0.236 1.00 33.54 O ATOM 321 CB GLU A 20 -4.077 19.826 2.254 1.00 0.50 C ATOM 322 CG GLU A 20 -5.236 19.734 1.276 1.00 62.44 C ATOM 323 CD GLU A 20 -6.413 20.599 1.682 1.00 60.13 C ATOM 324 OE1 GLU A 20 -7.039 20.300 2.720 1.00 53.52 O ATOM 325 OE2 GLU A 20 -6.707 21.575 0.961 1.00 54.34 O ATOM 0 H GLU A 20 -1.960 19.822 3.523 1.00 10.11 H new ATOM 0 HA GLU A 20 -3.335 17.810 2.227 1.00 62.23 H new ATOM 0 HB2 GLU A 20 -4.455 19.682 3.266 1.00 0.50 H new ATOM 0 HB3 GLU A 20 -3.655 20.830 2.211 1.00 0.50 H new ATOM 0 HG2 GLU A 20 -4.895 20.034 0.285 1.00 62.44 H new ATOM 0 HG3 GLU A 20 -5.561 18.696 1.201 1.00 62.44 H new ATOM 332 N ARG A 21 -1.923 19.924 0.104 1.00 73.42 N ATOM 333 CA ARG A 21 -1.494 20.079 -1.281 1.00 11.42 C ATOM 334 C ARG A 21 -0.565 18.942 -1.693 1.00 64.31 C ATOM 335 O ARG A 21 -0.384 18.674 -2.881 1.00 20.14 O ATOM 336 CB ARG A 21 -0.788 21.423 -1.470 1.00 1.11 C ATOM 337 CG ARG A 21 0.565 21.502 -0.782 1.00 1.31 C ATOM 338 CD ARG A 21 1.315 22.766 -1.172 1.00 44.21 C ATOM 339 NE ARG A 21 2.748 22.527 -1.328 1.00 34.45 N ATOM 340 CZ ARG A 21 3.562 23.343 -1.986 1.00 41.25 C ATOM 341 NH1 ARG A 21 3.088 24.447 -2.548 1.00 20.13 N ATOM 342 NH2 ARG A 21 4.854 23.057 -2.085 1.00 20.25 N ATOM 0 H ARG A 21 -1.681 20.707 0.711 1.00 73.42 H new ATOM 0 HA ARG A 21 -2.380 20.049 -1.915 1.00 11.42 H new ATOM 0 HB2 ARG A 21 -0.655 21.607 -2.536 1.00 1.11 H new ATOM 0 HB3 ARG A 21 -1.428 22.217 -1.086 1.00 1.11 H new ATOM 0 HG2 ARG A 21 0.427 21.479 0.299 1.00 1.31 H new ATOM 0 HG3 ARG A 21 1.160 20.628 -1.046 1.00 1.31 H new ATOM 0 HD2 ARG A 21 0.909 23.155 -2.106 1.00 44.21 H new ATOM 0 HD3 ARG A 21 1.156 23.531 -0.412 1.00 44.21 H new ATOM 0 HE ARG A 21 3.145 21.686 -0.908 1.00 34.45 H new ATOM 0 HH11 ARG A 21 2.096 24.671 -2.475 1.00 20.13 H new ATOM 0 HH12 ARG A 21 3.716 25.072 -3.053 1.00 20.13 H new ATOM 0 HH21 ARG A 21 5.223 22.209 -1.655 1.00 20.25 H new ATOM 0 HH22 ARG A 21 5.478 23.685 -2.591 1.00 20.25 H new ATOM 356 N ALA A 22 0.023 18.276 -0.704 1.00 12.31 N ATOM 357 CA ALA A 22 0.932 17.167 -0.964 1.00 1.14 C ATOM 358 C ALA A 22 0.173 15.849 -1.072 1.00 21.11 C ATOM 359 O ALA A 22 0.260 15.152 -2.084 1.00 20.12 O ATOM 360 CB ALA A 22 1.987 17.083 0.129 1.00 22.44 C ATOM 0 H ALA A 22 -0.114 18.486 0.285 1.00 12.31 H new ATOM 0 HA ALA A 22 1.426 17.350 -1.918 1.00 1.14 H new ATOM 0 HB1 ALA A 22 2.659 16.250 -0.078 1.00 22.44 H new ATOM 0 HB2 ALA A 22 2.557 18.012 0.157 1.00 22.44 H new ATOM 0 HB3 ALA A 22 1.501 16.927 1.092 1.00 22.44 H new ATOM 366 N LEU A 23 -0.570 15.512 -0.024 1.00 32.23 N ATOM 367 CA LEU A 23 -1.345 14.276 -0.001 1.00 24.33 C ATOM 368 C LEU A 23 -2.465 14.316 -1.035 1.00 14.04 C ATOM 369 O LEU A 23 -2.543 13.459 -1.914 1.00 43.03 O ATOM 370 CB LEU A 23 -1.929 14.043 1.393 1.00 15.15 C ATOM 371 CG LEU A 23 -0.986 14.302 2.569 1.00 54.42 C ATOM 372 CD1 LEU A 23 -1.733 14.186 3.888 1.00 33.54 C ATOM 373 CD2 LEU A 23 0.189 13.337 2.532 1.00 4.01 C ATOM 0 H LEU A 23 -0.652 16.077 0.821 1.00 32.23 H new ATOM 0 HA LEU A 23 -0.676 13.452 -0.250 1.00 24.33 H new ATOM 0 HB2 LEU A 23 -2.805 14.681 1.509 1.00 15.15 H new ATOM 0 HB3 LEU A 23 -2.276 13.011 1.452 1.00 15.15 H new ATOM 0 HG LEU A 23 -0.599 15.317 2.483 1.00 54.42 H new ATOM 0 HD11 LEU A 23 -1.046 14.373 4.713 1.00 33.54 H new ATOM 0 HD12 LEU A 23 -2.540 14.918 3.915 1.00 33.54 H new ATOM 0 HD13 LEU A 23 -2.149 13.183 3.983 1.00 33.54 H new ATOM 0 HD21 LEU A 23 0.850 13.536 3.376 1.00 4.01 H new ATOM 0 HD22 LEU A 23 -0.179 12.313 2.593 1.00 4.01 H new ATOM 0 HD23 LEU A 23 0.740 13.470 1.601 1.00 4.01 H new ATOM 385 N ALA A 24 -3.331 15.319 -0.923 1.00 23.51 N ATOM 386 CA ALA A 24 -4.445 15.473 -1.850 1.00 45.13 C ATOM 387 C ALA A 24 -3.964 15.433 -3.297 1.00 1.40 C ATOM 388 O ALA A 24 -4.702 15.032 -4.196 1.00 0.23 O ATOM 389 CB ALA A 24 -5.185 16.773 -1.574 1.00 11.13 C ATOM 0 H ALA A 24 -3.282 16.036 -0.200 1.00 23.51 H new ATOM 0 HA ALA A 24 -5.130 14.639 -1.699 1.00 45.13 H new ATOM 0 HB1 ALA A 24 -6.015 16.875 -2.274 1.00 11.13 H new ATOM 0 HB2 ALA A 24 -5.570 16.763 -0.554 1.00 11.13 H new ATOM 0 HB3 ALA A 24 -4.502 17.614 -1.696 1.00 11.13 H new ATOM 395 N GLY A 25 -2.721 15.853 -3.515 1.00 12.22 N ATOM 396 CA GLY A 25 -2.164 15.858 -4.855 1.00 10.12 C ATOM 397 C GLY A 25 -1.563 14.520 -5.238 1.00 4.44 C ATOM 398 O GLY A 25 -1.823 14.003 -6.323 1.00 42.35 O ATOM 0 H GLY A 25 -2.090 16.190 -2.788 1.00 12.22 H new ATOM 0 HA2 GLY A 25 -2.945 16.120 -5.569 1.00 10.12 H new ATOM 0 HA3 GLY A 25 -1.398 16.630 -4.924 1.00 10.12 H new ATOM 402 N ALA A 26 -0.755 13.959 -4.344 1.00 44.20 N ATOM 403 CA ALA A 26 -0.115 12.674 -4.594 1.00 23.42 C ATOM 404 C ALA A 26 -1.135 11.541 -4.580 1.00 73.34 C ATOM 405 O ALA A 26 -0.836 10.418 -4.983 1.00 62.52 O ATOM 406 CB ALA A 26 0.975 12.417 -3.563 1.00 52.21 C ATOM 0 H ALA A 26 -0.528 14.375 -3.440 1.00 44.20 H new ATOM 0 HA ALA A 26 0.338 12.709 -5.585 1.00 23.42 H new ATOM 0 HB1 ALA A 26 1.444 11.454 -3.762 1.00 52.21 H new ATOM 0 HB2 ALA A 26 1.725 13.205 -3.623 1.00 52.21 H new ATOM 0 HB3 ALA A 26 0.537 12.408 -2.565 1.00 52.21 H new ATOM 412 N GLY A 27 -2.343 11.843 -4.114 1.00 10.55 N ATOM 413 CA GLY A 27 -3.389 10.839 -4.056 1.00 12.33 C ATOM 414 C GLY A 27 -3.574 10.274 -2.662 1.00 24.25 C ATOM 415 O GLY A 27 -4.568 9.602 -2.382 1.00 42.42 O ATOM 0 H GLY A 27 -2.616 12.766 -3.775 1.00 10.55 H new ATOM 0 HA2 GLY A 27 -4.328 11.277 -4.395 1.00 12.33 H new ATOM 0 HA3 GLY A 27 -3.149 10.029 -4.744 1.00 12.33 H new ATOM 419 N LEU A 28 -2.613 10.543 -1.784 1.00 15.31 N ATOM 420 CA LEU A 28 -2.673 10.055 -0.410 1.00 53.15 C ATOM 421 C LEU A 28 -3.875 10.641 0.324 1.00 42.20 C ATOM 422 O LEU A 28 -4.257 11.790 0.096 1.00 25.30 O ATOM 423 CB LEU A 28 -1.384 10.408 0.334 1.00 54.13 C ATOM 424 CG LEU A 28 -0.079 10.072 -0.388 1.00 60.11 C ATOM 425 CD1 LEU A 28 1.089 10.804 0.253 1.00 44.51 C ATOM 426 CD2 LEU A 28 0.163 8.570 -0.381 1.00 73.53 C ATOM 0 H LEU A 28 -1.783 11.096 -1.999 1.00 15.31 H new ATOM 0 HA LEU A 28 -2.782 8.971 -0.440 1.00 53.15 H new ATOM 0 HB2 LEU A 28 -1.393 11.477 0.548 1.00 54.13 H new ATOM 0 HB3 LEU A 28 -1.389 9.891 1.293 1.00 54.13 H new ATOM 0 HG LEU A 28 -0.164 10.402 -1.424 1.00 60.11 H new ATOM 0 HD11 LEU A 28 2.009 10.553 -0.274 1.00 44.51 H new ATOM 0 HD12 LEU A 28 0.920 11.879 0.196 1.00 44.51 H new ATOM 0 HD13 LEU A 28 1.176 10.506 1.298 1.00 44.51 H new ATOM 0 HD21 LEU A 28 1.096 8.349 -0.899 1.00 73.53 H new ATOM 0 HD22 LEU A 28 0.227 8.217 0.648 1.00 73.53 H new ATOM 0 HD23 LEU A 28 -0.661 8.066 -0.887 1.00 73.53 H new ATOM 438 N THR A 29 -4.467 9.845 1.209 1.00 51.31 N ATOM 439 CA THR A 29 -5.624 10.285 1.978 1.00 34.10 C ATOM 440 C THR A 29 -5.252 11.409 2.938 1.00 40.45 C ATOM 441 O THR A 29 -4.459 11.214 3.860 1.00 52.23 O ATOM 442 CB THR A 29 -6.240 9.123 2.781 1.00 42.23 C ATOM 443 OG1 THR A 29 -6.770 8.137 1.888 1.00 41.33 O ATOM 444 CG2 THR A 29 -7.342 9.625 3.701 1.00 4.55 C ATOM 0 H THR A 29 -4.164 8.892 1.411 1.00 51.31 H new ATOM 0 HA THR A 29 -6.358 10.652 1.261 1.00 34.10 H new ATOM 0 HB THR A 29 -5.455 8.676 3.391 1.00 42.23 H new ATOM 0 HG1 THR A 29 -7.158 7.401 2.406 1.00 41.33 H new ATOM 0 HG21 THR A 29 -7.762 8.787 4.257 1.00 4.55 H new ATOM 0 HG22 THR A 29 -6.930 10.354 4.399 1.00 4.55 H new ATOM 0 HG23 THR A 29 -8.126 10.095 3.107 1.00 4.55 H new ATOM 452 N CYS A 30 -5.828 12.585 2.716 1.00 55.25 N ATOM 453 CA CYS A 30 -5.557 13.742 3.561 1.00 25.05 C ATOM 454 C CYS A 30 -6.618 13.883 4.647 1.00 13.23 C ATOM 455 O CYS A 30 -7.812 13.720 4.390 1.00 64.22 O ATOM 456 CB CYS A 30 -5.501 15.016 2.717 1.00 61.21 C ATOM 457 SG CYS A 30 -5.338 16.535 3.683 1.00 44.51 S ATOM 0 H CYS A 30 -6.486 12.762 1.957 1.00 55.25 H new ATOM 0 HA CYS A 30 -4.590 13.591 4.041 1.00 25.05 H new ATOM 0 HB2 CYS A 30 -4.660 14.945 2.027 1.00 61.21 H new ATOM 0 HB3 CYS A 30 -6.406 15.078 2.112 1.00 61.21 H new ATOM 0 HG CYS A 30 -5.907 17.516 3.048 1.00 44.51 H new ATOM 463 N THR A 31 -6.177 14.186 5.864 1.00 4.30 N ATOM 464 CA THR A 31 -7.088 14.347 6.990 1.00 21.51 C ATOM 465 C THR A 31 -6.608 15.443 7.934 1.00 24.44 C ATOM 466 O THR A 31 -5.405 15.648 8.104 1.00 12.21 O ATOM 467 CB THR A 31 -7.240 13.034 7.781 1.00 61.50 C ATOM 468 OG1 THR A 31 -7.584 11.964 6.893 1.00 21.12 O ATOM 469 CG2 THR A 31 -8.307 13.170 8.856 1.00 34.02 C ATOM 0 H THR A 31 -5.193 14.325 6.095 1.00 4.30 H new ATOM 0 HA THR A 31 -8.056 14.627 6.575 1.00 21.51 H new ATOM 0 HB THR A 31 -6.287 12.814 8.263 1.00 61.50 H new ATOM 0 HG1 THR A 31 -7.337 11.108 7.301 1.00 21.12 H new ATOM 0 HG21 THR A 31 -8.396 12.230 9.401 1.00 34.02 H new ATOM 0 HG22 THR A 31 -8.028 13.965 9.547 1.00 34.02 H new ATOM 0 HG23 THR A 31 -9.263 13.412 8.391 1.00 34.02 H new ATOM 477 N THR A 32 -7.554 16.145 8.549 1.00 75.11 N ATOM 478 CA THR A 32 -7.228 17.221 9.476 1.00 22.32 C ATOM 479 C THR A 32 -8.333 17.411 10.509 1.00 61.11 C ATOM 480 O THR A 32 -9.501 17.130 10.241 1.00 14.14 O ATOM 481 CB THR A 32 -6.999 18.551 8.735 1.00 51.41 C ATOM 482 OG1 THR A 32 -8.102 18.822 7.862 1.00 2.04 O ATOM 483 CG2 THR A 32 -5.708 18.508 7.931 1.00 75.13 C ATOM 0 H THR A 32 -8.554 15.987 8.422 1.00 75.11 H new ATOM 0 HA THR A 32 -6.307 16.933 9.983 1.00 22.32 H new ATOM 0 HB THR A 32 -6.920 19.345 9.477 1.00 51.41 H new ATOM 0 HG1 THR A 32 -7.949 19.670 7.396 1.00 2.04 H new ATOM 0 HG21 THR A 32 -5.568 19.459 7.416 1.00 75.13 H new ATOM 0 HG22 THR A 32 -4.867 18.331 8.602 1.00 75.13 H new ATOM 0 HG23 THR A 32 -5.763 17.703 7.198 1.00 75.13 H new ATOM 491 N PHE A 33 -7.957 17.890 11.690 1.00 44.11 N ATOM 492 CA PHE A 33 -8.917 18.118 12.764 1.00 63.23 C ATOM 493 C PHE A 33 -8.572 19.384 13.542 1.00 52.43 C ATOM 494 O PHE A 33 -9.158 20.443 13.315 1.00 62.52 O ATOM 495 CB PHE A 33 -8.949 16.917 13.711 1.00 62.40 C ATOM 496 CG PHE A 33 -9.289 15.623 13.027 1.00 3.15 C ATOM 497 CD1 PHE A 33 -10.602 15.318 12.708 1.00 62.44 C ATOM 498 CD2 PHE A 33 -8.295 14.713 12.704 1.00 33.04 C ATOM 499 CE1 PHE A 33 -10.917 14.128 12.079 1.00 33.45 C ATOM 500 CE2 PHE A 33 -8.605 13.521 12.076 1.00 43.52 C ATOM 501 CZ PHE A 33 -9.918 13.229 11.762 1.00 5.00 C ATOM 0 H PHE A 33 -6.994 18.128 11.928 1.00 44.11 H new ATOM 0 HA PHE A 33 -9.902 18.245 12.316 1.00 63.23 H new ATOM 0 HB2 PHE A 33 -7.977 16.819 14.194 1.00 62.40 H new ATOM 0 HB3 PHE A 33 -9.678 17.105 14.499 1.00 62.40 H new ATOM 0 HD1 PHE A 33 -11.388 16.017 12.953 1.00 62.44 H new ATOM 0 HD2 PHE A 33 -7.267 14.938 12.946 1.00 33.04 H new ATOM 0 HE1 PHE A 33 -11.945 13.901 11.836 1.00 33.45 H new ATOM 0 HE2 PHE A 33 -7.822 12.819 11.831 1.00 43.52 H new ATOM 0 HZ PHE A 33 -10.163 12.299 11.270 1.00 5.00 H new ATOM 511 N GLU A 34 -7.618 19.267 14.460 1.00 33.42 N ATOM 512 CA GLU A 34 -7.197 20.402 15.273 1.00 60.41 C ATOM 513 C GLU A 34 -6.240 19.956 16.375 1.00 14.22 C ATOM 514 O GLU A 34 -5.042 20.228 16.318 1.00 22.43 O ATOM 515 CB GLU A 34 -8.414 21.096 15.888 1.00 4.32 C ATOM 516 CG GLU A 34 -8.675 22.481 15.321 1.00 53.23 C ATOM 517 CD GLU A 34 -7.775 23.540 15.928 1.00 54.14 C ATOM 518 OE1 GLU A 34 -7.874 23.773 17.150 1.00 2.33 O ATOM 519 OE2 GLU A 34 -6.972 24.135 15.179 1.00 54.41 O ATOM 0 H GLU A 34 -7.122 18.398 14.659 1.00 33.42 H new ATOM 0 HA GLU A 34 -6.675 21.107 14.626 1.00 60.41 H new ATOM 0 HB2 GLU A 34 -9.295 20.475 15.728 1.00 4.32 H new ATOM 0 HB3 GLU A 34 -8.271 21.175 16.966 1.00 4.32 H new ATOM 0 HG2 GLU A 34 -8.528 22.461 14.241 1.00 53.23 H new ATOM 0 HG3 GLU A 34 -9.716 22.751 15.496 1.00 53.23 H new ATOM 526 N ASN A 35 -6.780 19.271 17.378 1.00 53.01 N ATOM 527 CA ASN A 35 -5.976 18.789 18.495 1.00 63.45 C ATOM 528 C ASN A 35 -6.206 17.298 18.727 1.00 45.32 C ATOM 529 O ASN A 35 -7.138 16.711 18.181 1.00 74.12 O ATOM 530 CB ASN A 35 -6.309 19.572 19.766 1.00 22.41 C ATOM 531 CG ASN A 35 -7.727 19.325 20.242 1.00 55.21 C ATOM 532 OD1 ASN A 35 -8.506 18.641 19.578 1.00 34.55 O ATOM 533 ND2 ASN A 35 -8.069 19.884 21.397 1.00 55.11 N ATOM 0 H ASN A 35 -7.771 19.037 17.440 1.00 53.01 H new ATOM 0 HA ASN A 35 -4.926 18.942 18.247 1.00 63.45 H new ATOM 0 HB2 ASN A 35 -5.610 19.293 20.555 1.00 22.41 H new ATOM 0 HB3 ASN A 35 -6.171 20.637 19.580 1.00 22.41 H new ATOM 0 HD21 ASN A 35 -9.010 19.754 21.767 1.00 55.11 H new ATOM 0 HD22 ASN A 35 -7.390 20.443 21.914 1.00 55.11 H new ATOM 540 N GLY A 36 -5.347 16.693 19.542 1.00 35.52 N ATOM 541 CA GLY A 36 -5.474 15.276 19.833 1.00 11.41 C ATOM 542 C GLY A 36 -6.887 14.889 20.224 1.00 65.24 C ATOM 543 O GLY A 36 -7.355 13.803 19.886 1.00 21.50 O ATOM 0 H GLY A 36 -4.566 17.158 20.006 1.00 35.52 H new ATOM 0 HA2 GLY A 36 -5.172 14.700 18.958 1.00 11.41 H new ATOM 0 HA3 GLY A 36 -4.791 15.011 20.641 1.00 11.41 H new ATOM 547 N ASN A 37 -7.566 15.779 20.939 1.00 55.11 N ATOM 548 CA ASN A 37 -8.933 15.523 21.378 1.00 14.21 C ATOM 549 C ASN A 37 -9.809 15.089 20.207 1.00 61.25 C ATOM 550 O ASN A 37 -10.490 14.067 20.275 1.00 74.45 O ATOM 551 CB ASN A 37 -9.523 16.774 22.034 1.00 71.43 C ATOM 552 CG ASN A 37 -10.637 16.445 23.008 1.00 34.53 C ATOM 553 OD1 ASN A 37 -11.027 15.286 23.155 1.00 62.10 O ATOM 554 ND2 ASN A 37 -11.156 17.466 23.680 1.00 34.30 N ATOM 0 H ASN A 37 -7.193 16.684 21.227 1.00 55.11 H new ATOM 0 HA ASN A 37 -8.907 14.715 22.109 1.00 14.21 H new ATOM 0 HB2 ASN A 37 -8.734 17.313 22.558 1.00 71.43 H new ATOM 0 HB3 ASN A 37 -9.905 17.441 21.261 1.00 71.43 H new ATOM 0 HD21 ASN A 37 -11.909 17.306 24.350 1.00 34.30 H new ATOM 0 HD22 ASN A 37 -10.802 18.410 23.527 1.00 34.30 H new ATOM 561 N GLU A 38 -9.784 15.873 19.133 1.00 23.13 N ATOM 562 CA GLU A 38 -10.575 15.569 17.947 1.00 34.31 C ATOM 563 C GLU A 38 -10.170 14.223 17.353 1.00 72.20 C ATOM 564 O GLU A 38 -11.005 13.337 17.168 1.00 25.41 O ATOM 565 CB GLU A 38 -10.410 16.672 16.900 1.00 63.44 C ATOM 566 CG GLU A 38 -11.057 17.988 17.295 1.00 42.44 C ATOM 567 CD GLU A 38 -12.458 18.141 16.735 1.00 21.12 C ATOM 568 OE1 GLU A 38 -13.204 17.139 16.724 1.00 1.33 O ATOM 569 OE2 GLU A 38 -12.808 19.261 16.308 1.00 33.23 O ATOM 0 H GLU A 38 -9.225 16.723 19.061 1.00 23.13 H new ATOM 0 HA GLU A 38 -11.622 15.515 18.244 1.00 34.31 H new ATOM 0 HB2 GLU A 38 -9.347 16.838 16.724 1.00 63.44 H new ATOM 0 HB3 GLU A 38 -10.840 16.334 15.957 1.00 63.44 H new ATOM 0 HG2 GLU A 38 -11.095 18.058 18.382 1.00 42.44 H new ATOM 0 HG3 GLU A 38 -10.437 18.813 16.944 1.00 42.44 H new ATOM 576 N VAL A 39 -8.883 14.077 17.055 1.00 1.51 N ATOM 577 CA VAL A 39 -8.366 12.840 16.482 1.00 4.44 C ATOM 578 C VAL A 39 -8.828 11.629 17.284 1.00 63.54 C ATOM 579 O VAL A 39 -9.007 10.540 16.736 1.00 73.02 O ATOM 580 CB VAL A 39 -6.826 12.849 16.426 1.00 34.54 C ATOM 581 CG1 VAL A 39 -6.290 11.433 16.279 1.00 22.22 C ATOM 582 CG2 VAL A 39 -6.340 13.733 15.288 1.00 23.14 C ATOM 0 H VAL A 39 -8.179 14.800 17.201 1.00 1.51 H new ATOM 0 HA VAL A 39 -8.759 12.771 15.467 1.00 4.44 H new ATOM 0 HB VAL A 39 -6.447 13.260 17.362 1.00 34.54 H new ATOM 0 HG11 VAL A 39 -5.201 11.458 16.241 1.00 22.22 H new ATOM 0 HG12 VAL A 39 -6.610 10.833 17.131 1.00 22.22 H new ATOM 0 HG13 VAL A 39 -6.675 10.992 15.360 1.00 22.22 H new ATOM 0 HG21 VAL A 39 -5.250 13.728 15.263 1.00 23.14 H new ATOM 0 HG22 VAL A 39 -6.726 13.354 14.342 1.00 23.14 H new ATOM 0 HG23 VAL A 39 -6.695 14.752 15.442 1.00 23.14 H new ATOM 592 N LEU A 40 -9.019 11.824 18.583 1.00 34.25 N ATOM 593 CA LEU A 40 -9.462 10.747 19.462 1.00 62.50 C ATOM 594 C LEU A 40 -10.708 10.066 18.904 1.00 24.20 C ATOM 595 O LEU A 40 -10.708 8.862 18.650 1.00 62.23 O ATOM 596 CB LEU A 40 -9.748 11.289 20.863 1.00 2.42 C ATOM 597 CG LEU A 40 -9.402 10.360 22.027 1.00 64.32 C ATOM 598 CD1 LEU A 40 -10.034 8.992 21.823 1.00 21.42 C ATOM 599 CD2 LEU A 40 -7.893 10.235 22.179 1.00 63.41 C ATOM 0 H LEU A 40 -8.874 12.718 19.052 1.00 34.25 H new ATOM 0 HA LEU A 40 -8.662 10.009 19.521 1.00 62.50 H new ATOM 0 HB2 LEU A 40 -9.195 12.219 20.990 1.00 2.42 H new ATOM 0 HB3 LEU A 40 -10.808 11.537 20.925 1.00 2.42 H new ATOM 0 HG LEU A 40 -9.805 10.791 22.944 1.00 64.32 H new ATOM 0 HD11 LEU A 40 -9.777 8.344 22.661 1.00 21.42 H new ATOM 0 HD12 LEU A 40 -11.117 9.097 21.764 1.00 21.42 H new ATOM 0 HD13 LEU A 40 -9.661 8.553 20.897 1.00 21.42 H new ATOM 0 HD21 LEU A 40 -7.665 9.570 23.012 1.00 63.41 H new ATOM 0 HD22 LEU A 40 -7.468 9.827 21.262 1.00 63.41 H new ATOM 0 HD23 LEU A 40 -7.464 11.218 22.372 1.00 63.41 H new ATOM 611 N ALA A 41 -11.767 10.846 18.714 1.00 21.42 N ATOM 612 CA ALA A 41 -13.018 10.319 18.182 1.00 24.02 C ATOM 613 C ALA A 41 -12.778 9.519 16.907 1.00 62.44 C ATOM 614 O ALA A 41 -13.503 8.569 16.613 1.00 55.23 O ATOM 615 CB ALA A 41 -13.998 11.452 17.920 1.00 53.30 C ATOM 0 H ALA A 41 -11.784 11.845 18.920 1.00 21.42 H new ATOM 0 HA ALA A 41 -13.447 9.647 18.926 1.00 24.02 H new ATOM 0 HB1 ALA A 41 -14.928 11.044 17.523 1.00 53.30 H new ATOM 0 HB2 ALA A 41 -14.202 11.980 18.852 1.00 53.30 H new ATOM 0 HB3 ALA A 41 -13.568 12.145 17.197 1.00 53.30 H new ATOM 621 N ALA A 42 -11.756 9.909 16.152 1.00 23.21 N ATOM 622 CA ALA A 42 -11.420 9.226 14.909 1.00 41.54 C ATOM 623 C ALA A 42 -10.561 7.994 15.173 1.00 13.30 C ATOM 624 O ALA A 42 -10.657 6.994 14.460 1.00 5.04 O ATOM 625 CB ALA A 42 -10.704 10.178 13.961 1.00 23.24 C ATOM 0 H ALA A 42 -11.146 10.694 16.380 1.00 23.21 H new ATOM 0 HA ALA A 42 -12.348 8.895 14.443 1.00 41.54 H new ATOM 0 HB1 ALA A 42 -10.459 9.655 13.037 1.00 23.24 H new ATOM 0 HB2 ALA A 42 -11.353 11.025 13.738 1.00 23.24 H new ATOM 0 HB3 ALA A 42 -9.787 10.536 14.429 1.00 23.24 H new ATOM 631 N LEU A 43 -9.723 8.073 16.200 1.00 21.34 N ATOM 632 CA LEU A 43 -8.846 6.963 16.559 1.00 51.22 C ATOM 633 C LEU A 43 -9.656 5.758 17.025 1.00 31.24 C ATOM 634 O LEU A 43 -9.497 4.653 16.508 1.00 24.42 O ATOM 635 CB LEU A 43 -7.871 7.392 17.656 1.00 4.22 C ATOM 636 CG LEU A 43 -6.621 8.139 17.189 1.00 41.11 C ATOM 637 CD1 LEU A 43 -5.851 8.689 18.380 1.00 53.24 C ATOM 638 CD2 LEU A 43 -5.735 7.226 16.355 1.00 64.25 C ATOM 0 H LEU A 43 -9.632 8.893 16.799 1.00 21.34 H new ATOM 0 HA LEU A 43 -8.281 6.677 15.672 1.00 51.22 H new ATOM 0 HB2 LEU A 43 -8.406 8.027 18.362 1.00 4.22 H new ATOM 0 HB3 LEU A 43 -7.556 6.503 18.202 1.00 4.22 H new ATOM 0 HG LEU A 43 -6.934 8.977 16.566 1.00 41.11 H new ATOM 0 HD11 LEU A 43 -4.965 9.217 18.028 1.00 53.24 H new ATOM 0 HD12 LEU A 43 -6.486 9.377 18.937 1.00 53.24 H new ATOM 0 HD13 LEU A 43 -5.549 7.867 19.029 1.00 53.24 H new ATOM 0 HD21 LEU A 43 -4.850 7.774 16.031 1.00 64.25 H new ATOM 0 HD22 LEU A 43 -5.431 6.368 16.954 1.00 64.25 H new ATOM 0 HD23 LEU A 43 -6.288 6.881 15.481 1.00 64.25 H new ATOM 650 N ALA A 44 -10.527 5.980 18.005 1.00 62.44 N ATOM 651 CA ALA A 44 -11.365 4.913 18.538 1.00 61.12 C ATOM 652 C ALA A 44 -12.165 4.237 17.429 1.00 3.12 C ATOM 653 O ALA A 44 -12.539 3.070 17.544 1.00 15.21 O ATOM 654 CB ALA A 44 -12.299 5.460 19.607 1.00 51.12 C ATOM 0 H ALA A 44 -10.670 6.889 18.445 1.00 62.44 H new ATOM 0 HA ALA A 44 -10.714 4.164 18.989 1.00 61.12 H new ATOM 0 HB1 ALA A 44 -12.919 4.652 19.996 1.00 51.12 H new ATOM 0 HB2 ALA A 44 -11.711 5.890 20.418 1.00 51.12 H new ATOM 0 HB3 ALA A 44 -12.937 6.230 19.173 1.00 51.12 H new ATOM 660 N SER A 45 -12.423 4.978 16.356 1.00 33.04 N ATOM 661 CA SER A 45 -13.183 4.451 15.229 1.00 41.24 C ATOM 662 C SER A 45 -12.267 3.725 14.249 1.00 61.54 C ATOM 663 O SER A 45 -12.573 2.621 13.796 1.00 45.24 O ATOM 664 CB SER A 45 -13.921 5.583 14.511 1.00 75.50 C ATOM 665 OG SER A 45 -15.266 5.224 14.242 1.00 62.10 O ATOM 0 H SER A 45 -12.117 5.945 16.244 1.00 33.04 H new ATOM 0 HA SER A 45 -13.912 3.738 15.615 1.00 41.24 H new ATOM 0 HB2 SER A 45 -13.897 6.484 15.124 1.00 75.50 H new ATOM 0 HB3 SER A 45 -13.411 5.820 13.577 1.00 75.50 H new ATOM 0 HG SER A 45 -15.717 5.964 13.784 1.00 62.10 H new ATOM 671 N LYS A 46 -11.141 4.351 13.925 1.00 1.51 N ATOM 672 CA LYS A 46 -10.178 3.767 13.000 1.00 64.40 C ATOM 673 C LYS A 46 -8.778 4.318 13.251 1.00 1.41 C ATOM 674 O LYS A 46 -8.618 5.445 13.723 1.00 32.54 O ATOM 675 CB LYS A 46 -10.595 4.044 11.554 1.00 62.10 C ATOM 676 CG LYS A 46 -9.618 3.502 10.525 1.00 73.05 C ATOM 677 CD LYS A 46 -10.062 3.829 9.109 1.00 41.44 C ATOM 678 CE LYS A 46 -9.601 5.216 8.687 1.00 65.04 C ATOM 679 NZ LYS A 46 -10.592 6.266 9.052 1.00 23.53 N ATOM 0 H LYS A 46 -10.873 5.265 14.290 1.00 1.51 H new ATOM 0 HA LYS A 46 -10.160 2.690 13.166 1.00 64.40 H new ATOM 0 HB2 LYS A 46 -11.577 3.605 11.377 1.00 62.10 H new ATOM 0 HB3 LYS A 46 -10.697 5.120 11.414 1.00 62.10 H new ATOM 0 HG2 LYS A 46 -8.629 3.923 10.704 1.00 73.05 H new ATOM 0 HG3 LYS A 46 -9.530 2.422 10.639 1.00 73.05 H new ATOM 0 HD2 LYS A 46 -9.661 3.086 8.420 1.00 41.44 H new ATOM 0 HD3 LYS A 46 -11.148 3.770 9.044 1.00 41.44 H new ATOM 0 HE2 LYS A 46 -8.644 5.440 9.159 1.00 65.04 H new ATOM 0 HE3 LYS A 46 -9.436 5.231 7.610 1.00 65.04 H new ATOM 0 HZ1 LYS A 46 -10.494 7.076 8.407 1.00 23.53 H new ATOM 0 HZ2 LYS A 46 -11.554 5.877 8.976 1.00 23.53 H new ATOM 0 HZ3 LYS A 46 -10.422 6.579 10.029 1.00 23.53 H new ATOM 693 N THR A 47 -7.765 3.519 12.931 1.00 71.11 N ATOM 694 CA THR A 47 -6.379 3.927 13.121 1.00 11.44 C ATOM 695 C THR A 47 -5.737 4.328 11.798 1.00 12.12 C ATOM 696 O THR A 47 -5.904 3.666 10.774 1.00 71.22 O ATOM 697 CB THR A 47 -5.545 2.803 13.764 1.00 72.12 C ATOM 698 OG1 THR A 47 -5.251 1.794 12.791 1.00 41.31 O ATOM 699 CG2 THR A 47 -6.288 2.181 14.937 1.00 4.42 C ATOM 0 H THR A 47 -7.879 2.584 12.539 1.00 71.11 H new ATOM 0 HA THR A 47 -6.392 4.787 13.790 1.00 11.44 H new ATOM 0 HB THR A 47 -4.615 3.236 14.132 1.00 72.12 H new ATOM 0 HG1 THR A 47 -4.719 1.084 13.207 1.00 41.31 H new ATOM 0 HG21 THR A 47 -5.679 1.390 15.375 1.00 4.42 H new ATOM 0 HG22 THR A 47 -6.486 2.945 15.689 1.00 4.42 H new ATOM 0 HG23 THR A 47 -7.232 1.762 14.589 1.00 4.42 H new ATOM 707 N PRO A 48 -4.984 5.438 11.817 1.00 60.20 N ATOM 708 CA PRO A 48 -4.300 5.951 10.626 1.00 34.10 C ATOM 709 C PRO A 48 -3.145 5.056 10.190 1.00 11.22 C ATOM 710 O PRO A 48 -2.976 3.951 10.704 1.00 24.55 O ATOM 711 CB PRO A 48 -3.778 7.317 11.078 1.00 61.12 C ATOM 712 CG PRO A 48 -3.641 7.200 12.557 1.00 72.14 C ATOM 713 CD PRO A 48 -4.741 6.277 13.003 1.00 72.25 C ATOM 0 HA PRO A 48 -4.964 5.998 9.763 1.00 34.10 H new ATOM 0 HB2 PRO A 48 -2.822 7.550 10.609 1.00 61.12 H new ATOM 0 HB3 PRO A 48 -4.469 8.115 10.806 1.00 61.12 H new ATOM 0 HG2 PRO A 48 -2.663 6.802 12.828 1.00 72.14 H new ATOM 0 HG3 PRO A 48 -3.732 8.175 13.036 1.00 72.14 H new ATOM 0 HD2 PRO A 48 -4.440 5.679 13.863 1.00 72.25 H new ATOM 0 HD3 PRO A 48 -5.635 6.828 13.295 1.00 72.25 H new ATOM 721 N ASP A 49 -2.353 5.541 9.240 1.00 13.22 N ATOM 722 CA ASP A 49 -1.212 4.786 8.736 1.00 33.43 C ATOM 723 C ASP A 49 0.100 5.412 9.196 1.00 43.20 C ATOM 724 O ASP A 49 1.163 4.798 9.094 1.00 13.43 O ATOM 725 CB ASP A 49 -1.252 4.719 7.209 1.00 74.52 C ATOM 726 CG ASP A 49 -1.197 3.295 6.690 1.00 3.01 C ATOM 727 OD1 ASP A 49 -0.660 2.424 7.406 1.00 61.14 O ATOM 728 OD2 ASP A 49 -1.689 3.052 5.568 1.00 13.22 O ATOM 0 H ASP A 49 -2.480 6.454 8.803 1.00 13.22 H new ATOM 0 HA ASP A 49 -1.271 3.774 9.138 1.00 33.43 H new ATOM 0 HB2 ASP A 49 -2.163 5.198 6.851 1.00 74.52 H new ATOM 0 HB3 ASP A 49 -0.414 5.284 6.801 1.00 74.52 H new ATOM 733 N VAL A 50 0.020 6.639 9.701 1.00 14.13 N ATOM 734 CA VAL A 50 1.201 7.349 10.177 1.00 52.32 C ATOM 735 C VAL A 50 0.843 8.752 10.654 1.00 3.33 C ATOM 736 O VAL A 50 0.954 9.723 9.904 1.00 71.34 O ATOM 737 CB VAL A 50 2.275 7.451 9.077 1.00 12.24 C ATOM 738 CG1 VAL A 50 1.670 7.985 7.788 1.00 42.50 C ATOM 739 CG2 VAL A 50 3.428 8.329 9.539 1.00 12.54 C ATOM 0 H VAL A 50 -0.851 7.162 9.791 1.00 14.13 H new ATOM 0 HA VAL A 50 1.601 6.775 11.013 1.00 52.32 H new ATOM 0 HB VAL A 50 2.665 6.452 8.880 1.00 12.24 H new ATOM 0 HG11 VAL A 50 2.443 8.050 7.023 1.00 42.50 H new ATOM 0 HG12 VAL A 50 0.881 7.313 7.450 1.00 42.50 H new ATOM 0 HG13 VAL A 50 1.251 8.975 7.966 1.00 42.50 H new ATOM 0 HG21 VAL A 50 4.178 8.390 8.750 1.00 12.54 H new ATOM 0 HG22 VAL A 50 3.056 9.329 9.765 1.00 12.54 H new ATOM 0 HG23 VAL A 50 3.877 7.898 10.434 1.00 12.54 H new ATOM 749 N LEU A 51 0.415 8.853 11.908 1.00 54.35 N ATOM 750 CA LEU A 51 0.041 10.139 12.487 1.00 32.21 C ATOM 751 C LEU A 51 1.262 10.857 13.053 1.00 32.53 C ATOM 752 O LEU A 51 2.194 10.222 13.548 1.00 23.12 O ATOM 753 CB LEU A 51 -1.004 9.940 13.587 1.00 42.21 C ATOM 754 CG LEU A 51 -1.872 11.155 13.915 1.00 54.22 C ATOM 755 CD1 LEU A 51 -3.327 10.743 14.078 1.00 31.10 C ATOM 756 CD2 LEU A 51 -1.368 11.848 15.173 1.00 70.54 C ATOM 0 H LEU A 51 0.318 8.060 12.543 1.00 54.35 H new ATOM 0 HA LEU A 51 -0.386 10.756 11.696 1.00 32.21 H new ATOM 0 HB2 LEU A 51 -1.659 9.119 13.294 1.00 42.21 H new ATOM 0 HB3 LEU A 51 -0.490 9.629 14.497 1.00 42.21 H new ATOM 0 HG LEU A 51 -1.805 11.859 13.086 1.00 54.22 H new ATOM 0 HD11 LEU A 51 -3.930 11.621 14.311 1.00 31.10 H new ATOM 0 HD12 LEU A 51 -3.684 10.293 13.151 1.00 31.10 H new ATOM 0 HD13 LEU A 51 -3.412 10.019 14.888 1.00 31.10 H new ATOM 0 HD21 LEU A 51 -1.998 12.710 15.391 1.00 70.54 H new ATOM 0 HD22 LEU A 51 -1.404 11.152 16.011 1.00 70.54 H new ATOM 0 HD23 LEU A 51 -0.341 12.179 15.019 1.00 70.54 H new ATOM 768 N LEU A 52 1.249 12.183 12.979 1.00 30.21 N ATOM 769 CA LEU A 52 2.354 12.988 13.486 1.00 5.24 C ATOM 770 C LEU A 52 1.936 13.765 14.731 1.00 23.50 C ATOM 771 O LEU A 52 1.555 14.932 14.648 1.00 43.03 O ATOM 772 CB LEU A 52 2.843 13.956 12.408 1.00 40.43 C ATOM 773 CG LEU A 52 3.263 13.325 11.080 1.00 53.44 C ATOM 774 CD1 LEU A 52 2.064 13.179 10.156 1.00 74.51 C ATOM 775 CD2 LEU A 52 4.352 14.155 10.415 1.00 15.33 C ATOM 0 H LEU A 52 0.485 12.723 12.573 1.00 30.21 H new ATOM 0 HA LEU A 52 3.167 12.314 13.756 1.00 5.24 H new ATOM 0 HB2 LEU A 52 2.051 14.678 12.210 1.00 40.43 H new ATOM 0 HB3 LEU A 52 3.690 14.514 12.806 1.00 40.43 H new ATOM 0 HG LEU A 52 3.664 12.332 11.283 1.00 53.44 H new ATOM 0 HD11 LEU A 52 2.382 12.728 9.216 1.00 74.51 H new ATOM 0 HD12 LEU A 52 1.316 12.543 10.629 1.00 74.51 H new ATOM 0 HD13 LEU A 52 1.634 14.161 9.960 1.00 74.51 H new ATOM 0 HD21 LEU A 52 4.638 13.691 9.471 1.00 15.33 H new ATOM 0 HD22 LEU A 52 3.978 15.161 10.226 1.00 15.33 H new ATOM 0 HD23 LEU A 52 5.221 14.208 11.071 1.00 15.33 H new ATOM 787 N SER A 53 2.012 13.109 15.885 1.00 63.33 N ATOM 788 CA SER A 53 1.640 13.737 17.147 1.00 62.30 C ATOM 789 C SER A 53 2.356 15.073 17.321 1.00 24.40 C ATOM 790 O SER A 53 3.548 15.193 17.034 1.00 74.20 O ATOM 791 CB SER A 53 1.972 12.811 18.319 1.00 71.11 C ATOM 792 OG SER A 53 3.373 12.707 18.506 1.00 33.01 O ATOM 0 H SER A 53 2.328 12.143 15.972 1.00 63.33 H new ATOM 0 HA SER A 53 0.566 13.920 17.131 1.00 62.30 H new ATOM 0 HB2 SER A 53 1.508 13.191 19.229 1.00 71.11 H new ATOM 0 HB3 SER A 53 1.552 11.822 18.135 1.00 71.11 H new ATOM 0 HG SER A 53 3.559 12.111 19.262 1.00 33.01 H new ATOM 798 N ASP A 54 1.621 16.073 17.793 1.00 44.41 N ATOM 799 CA ASP A 54 2.185 17.401 18.007 1.00 40.32 C ATOM 800 C ASP A 54 2.249 17.731 19.495 1.00 43.11 C ATOM 801 O ASP A 54 1.228 17.745 20.182 1.00 34.31 O ATOM 802 CB ASP A 54 1.354 18.456 17.274 1.00 63.55 C ATOM 803 CG ASP A 54 2.158 19.698 16.942 1.00 74.33 C ATOM 804 OD1 ASP A 54 2.849 20.215 17.843 1.00 21.15 O ATOM 805 OD2 ASP A 54 2.094 20.153 15.780 1.00 0.13 O ATOM 0 H ASP A 54 0.634 15.990 18.035 1.00 44.41 H new ATOM 0 HA ASP A 54 3.199 17.406 17.608 1.00 40.32 H new ATOM 0 HB2 ASP A 54 0.957 18.027 16.354 1.00 63.55 H new ATOM 0 HB3 ASP A 54 0.499 18.734 17.891 1.00 63.55 H new ATOM 810 N ILE A 55 3.456 17.995 19.986 1.00 75.04 N ATOM 811 CA ILE A 55 3.652 18.324 21.392 1.00 43.42 C ATOM 812 C ILE A 55 4.069 19.781 21.562 1.00 52.41 C ATOM 813 O ILE A 55 4.977 20.092 22.333 1.00 13.12 O ATOM 814 CB ILE A 55 4.717 17.419 22.038 1.00 22.04 C ATOM 815 CG1 ILE A 55 5.959 17.339 21.148 1.00 31.10 C ATOM 816 CG2 ILE A 55 4.149 16.030 22.291 1.00 42.33 C ATOM 817 CD1 ILE A 55 5.908 16.212 20.140 1.00 22.03 C ATOM 0 H ILE A 55 4.312 17.987 19.431 1.00 75.04 H new ATOM 0 HA ILE A 55 2.697 18.161 21.891 1.00 43.42 H new ATOM 0 HB ILE A 55 5.007 17.852 22.995 1.00 22.04 H new ATOM 0 HG12 ILE A 55 6.078 18.284 20.618 1.00 31.10 H new ATOM 0 HG13 ILE A 55 6.840 17.213 21.778 1.00 31.10 H new ATOM 0 HG21 ILE A 55 4.914 15.402 22.748 1.00 42.33 H new ATOM 0 HG22 ILE A 55 3.292 16.104 22.961 1.00 42.33 H new ATOM 0 HG23 ILE A 55 3.834 15.588 21.346 1.00 42.33 H new ATOM 0 HD11 ILE A 55 6.820 16.216 19.544 1.00 22.03 H new ATOM 0 HD12 ILE A 55 5.820 15.260 20.663 1.00 22.03 H new ATOM 0 HD13 ILE A 55 5.047 16.348 19.486 1.00 22.03 H new ATOM 829 N ARG A 56 3.398 20.671 20.838 1.00 51.31 N ATOM 830 CA ARG A 56 3.698 22.096 20.909 1.00 12.31 C ATOM 831 C ARG A 56 2.693 22.905 20.094 1.00 72.23 C ATOM 832 O ARG A 56 3.053 23.548 19.108 1.00 12.03 O ATOM 833 CB ARG A 56 5.116 22.367 20.403 1.00 20.44 C ATOM 834 CG ARG A 56 5.572 23.802 20.608 1.00 25.23 C ATOM 835 CD ARG A 56 5.468 24.217 22.068 1.00 60.34 C ATOM 836 NE ARG A 56 6.164 25.473 22.331 1.00 50.55 N ATOM 837 CZ ARG A 56 5.987 26.195 23.431 1.00 14.34 C ATOM 838 NH1 ARG A 56 5.141 25.787 24.367 1.00 73.30 N ATOM 839 NH2 ARG A 56 6.657 27.328 23.598 1.00 13.44 N ATOM 0 H ARG A 56 2.643 20.430 20.196 1.00 51.31 H new ATOM 0 HA ARG A 56 3.627 22.404 21.952 1.00 12.31 H new ATOM 0 HB2 ARG A 56 5.809 21.698 20.914 1.00 20.44 H new ATOM 0 HB3 ARG A 56 5.166 22.127 19.341 1.00 20.44 H new ATOM 0 HG2 ARG A 56 6.603 23.909 20.271 1.00 25.23 H new ATOM 0 HG3 ARG A 56 4.965 24.469 19.995 1.00 25.23 H new ATOM 0 HD2 ARG A 56 4.418 24.320 22.341 1.00 60.34 H new ATOM 0 HD3 ARG A 56 5.886 23.432 22.699 1.00 60.34 H new ATOM 0 HE ARG A 56 6.823 25.815 21.631 1.00 50.55 H new ATOM 0 HH11 ARG A 56 4.624 24.916 24.243 1.00 73.30 H new ATOM 0 HH12 ARG A 56 5.007 26.344 25.211 1.00 73.30 H new ATOM 0 HH21 ARG A 56 7.309 27.645 22.881 1.00 13.44 H new ATOM 0 HH22 ARG A 56 6.520 27.882 24.444 1.00 13.44 H new ATOM 853 N MET A 57 1.432 22.866 20.512 1.00 51.13 N ATOM 854 CA MET A 57 0.375 23.596 19.820 1.00 23.34 C ATOM 855 C MET A 57 -0.710 24.037 20.798 1.00 43.05 C ATOM 856 O MET A 57 -0.859 23.485 21.888 1.00 62.43 O ATOM 857 CB MET A 57 -0.236 22.728 18.719 1.00 74.12 C ATOM 858 CG MET A 57 -0.113 21.236 18.982 1.00 70.13 C ATOM 859 SD MET A 57 -0.958 20.724 20.490 1.00 3.22 S ATOM 860 CE MET A 57 -1.838 19.276 19.911 1.00 61.22 C ATOM 0 H MET A 57 1.117 22.337 21.326 1.00 51.13 H new ATOM 0 HA MET A 57 0.816 24.485 19.369 1.00 23.34 H new ATOM 0 HB2 MET A 57 -1.290 22.983 18.609 1.00 74.12 H new ATOM 0 HB3 MET A 57 0.249 22.963 17.772 1.00 74.12 H new ATOM 0 HG2 MET A 57 -0.525 20.687 18.135 1.00 70.13 H new ATOM 0 HG3 MET A 57 0.941 20.969 19.053 1.00 70.13 H new ATOM 0 HE1 MET A 57 -2.713 19.107 20.539 1.00 61.22 H new ATOM 0 HE2 MET A 57 -2.156 19.431 18.880 1.00 61.22 H new ATOM 0 HE3 MET A 57 -1.182 18.407 19.961 1.00 61.22 H new ATOM 870 N PRO A 58 -1.486 25.056 20.401 1.00 40.34 N ATOM 871 CA PRO A 58 -2.571 25.594 21.227 1.00 22.22 C ATOM 872 C PRO A 58 -3.740 24.623 21.352 1.00 52.14 C ATOM 873 O PRO A 58 -4.533 24.708 22.288 1.00 12.23 O ATOM 874 CB PRO A 58 -3.000 26.855 20.473 1.00 72.42 C ATOM 875 CG PRO A 58 -2.613 26.600 19.057 1.00 25.42 C ATOM 876 CD PRO A 58 -1.365 25.762 19.114 1.00 42.20 C ATOM 0 HA PRO A 58 -2.249 25.783 22.251 1.00 22.22 H new ATOM 0 HB2 PRO A 58 -4.073 27.026 20.566 1.00 72.42 H new ATOM 0 HB3 PRO A 58 -2.501 27.741 20.866 1.00 72.42 H new ATOM 0 HG2 PRO A 58 -3.408 26.080 18.523 1.00 25.42 H new ATOM 0 HG3 PRO A 58 -2.431 27.535 18.527 1.00 25.42 H new ATOM 0 HD2 PRO A 58 -1.310 25.066 18.277 1.00 42.20 H new ATOM 0 HD3 PRO A 58 -0.466 26.377 19.076 1.00 42.20 H new ATOM 884 N GLY A 59 -3.841 23.700 20.400 1.00 30.21 N ATOM 885 CA GLY A 59 -4.917 22.726 20.422 1.00 22.04 C ATOM 886 C GLY A 59 -5.036 22.024 21.761 1.00 42.13 C ATOM 887 O GLY A 59 -5.868 22.392 22.590 1.00 65.31 O ATOM 0 H GLY A 59 -3.197 23.609 19.614 1.00 30.21 H new ATOM 0 HA2 GLY A 59 -5.859 23.224 20.191 1.00 22.04 H new ATOM 0 HA3 GLY A 59 -4.748 21.985 19.640 1.00 22.04 H new ATOM 891 N MET A 60 -4.203 21.010 21.971 1.00 33.22 N ATOM 892 CA MET A 60 -4.220 20.255 23.219 1.00 63.54 C ATOM 893 C MET A 60 -2.814 19.800 23.598 1.00 43.24 C ATOM 894 O MET A 60 -2.173 20.392 24.467 1.00 74.21 O ATOM 895 CB MET A 60 -5.144 19.042 23.093 1.00 23.41 C ATOM 896 CG MET A 60 -5.099 18.116 24.298 1.00 3.22 C ATOM 897 SD MET A 60 -6.717 17.437 24.713 1.00 65.52 S ATOM 898 CE MET A 60 -6.658 15.870 23.847 1.00 64.23 C ATOM 0 H MET A 60 -3.509 20.692 21.295 1.00 33.22 H new ATOM 0 HA MET A 60 -4.596 20.909 24.006 1.00 63.54 H new ATOM 0 HB2 MET A 60 -6.167 19.389 22.949 1.00 23.41 H new ATOM 0 HB3 MET A 60 -4.870 18.478 22.201 1.00 23.41 H new ATOM 0 HG2 MET A 60 -4.407 17.298 24.097 1.00 3.22 H new ATOM 0 HG3 MET A 60 -4.707 18.662 25.156 1.00 3.22 H new ATOM 0 HE1 MET A 60 -7.670 15.488 23.717 1.00 64.23 H new ATOM 0 HE2 MET A 60 -6.196 16.011 22.870 1.00 64.23 H new ATOM 0 HE3 MET A 60 -6.072 15.156 24.426 1.00 64.23 H new ATOM 908 N ASP A 61 -2.340 18.747 22.941 1.00 41.33 N ATOM 909 CA ASP A 61 -1.009 18.214 23.209 1.00 51.45 C ATOM 910 C ASP A 61 -0.735 16.982 22.353 1.00 72.51 C ATOM 911 O ASP A 61 -1.549 16.604 21.511 1.00 11.31 O ATOM 912 CB ASP A 61 -0.865 17.864 24.690 1.00 15.35 C ATOM 913 CG ASP A 61 -2.068 17.113 25.227 1.00 63.51 C ATOM 914 OD1 ASP A 61 -2.502 16.142 24.572 1.00 60.05 O ATOM 915 OD2 ASP A 61 -2.574 17.494 26.303 1.00 41.23 O ATOM 0 H ASP A 61 -2.858 18.246 22.219 1.00 41.33 H new ATOM 0 HA ASP A 61 -0.279 18.982 22.953 1.00 51.45 H new ATOM 0 HB2 ASP A 61 0.030 17.259 24.832 1.00 15.35 H new ATOM 0 HB3 ASP A 61 -0.726 18.780 25.265 1.00 15.35 H new ATOM 920 N GLY A 62 0.418 16.358 22.574 1.00 22.13 N ATOM 921 CA GLY A 62 0.780 15.175 21.815 1.00 14.11 C ATOM 922 C GLY A 62 0.900 13.941 22.687 1.00 70.01 C ATOM 923 O GLY A 62 1.010 12.823 22.182 1.00 71.03 O ATOM 0 H GLY A 62 1.108 16.651 23.266 1.00 22.13 H new ATOM 0 HA2 GLY A 62 0.031 14.999 21.043 1.00 14.11 H new ATOM 0 HA3 GLY A 62 1.728 15.350 21.306 1.00 14.11 H new ATOM 927 N LEU A 63 0.881 14.142 24.000 1.00 50.11 N ATOM 928 CA LEU A 63 0.991 13.036 24.945 1.00 54.20 C ATOM 929 C LEU A 63 -0.363 12.366 25.158 1.00 0.14 C ATOM 930 O LEU A 63 -0.464 11.140 25.176 1.00 64.21 O ATOM 931 CB LEU A 63 1.542 13.535 26.282 1.00 61.31 C ATOM 932 CG LEU A 63 3.039 13.844 26.317 1.00 62.30 C ATOM 933 CD1 LEU A 63 3.424 14.467 27.649 1.00 4.35 C ATOM 934 CD2 LEU A 63 3.850 12.582 26.062 1.00 24.44 C ATOM 0 H LEU A 63 0.790 15.060 24.434 1.00 50.11 H new ATOM 0 HA LEU A 63 1.678 12.300 24.528 1.00 54.20 H new ATOM 0 HB2 LEU A 63 0.998 14.437 26.562 1.00 61.31 H new ATOM 0 HB3 LEU A 63 1.328 12.785 27.043 1.00 61.31 H new ATOM 0 HG LEU A 63 3.261 14.561 25.526 1.00 62.30 H new ATOM 0 HD11 LEU A 63 4.493 14.680 27.656 1.00 4.35 H new ATOM 0 HD12 LEU A 63 2.868 15.394 27.791 1.00 4.35 H new ATOM 0 HD13 LEU A 63 3.187 13.774 28.457 1.00 4.35 H new ATOM 0 HD21 LEU A 63 4.913 12.821 26.091 1.00 24.44 H new ATOM 0 HD22 LEU A 63 3.623 11.842 26.830 1.00 24.44 H new ATOM 0 HD23 LEU A 63 3.595 12.177 25.082 1.00 24.44 H new ATOM 946 N ALA A 64 -1.402 13.180 25.318 1.00 24.31 N ATOM 947 CA ALA A 64 -2.750 12.666 25.526 1.00 63.22 C ATOM 948 C ALA A 64 -3.212 11.839 24.331 1.00 70.20 C ATOM 949 O ALA A 64 -3.994 10.898 24.479 1.00 42.51 O ATOM 950 CB ALA A 64 -3.717 13.811 25.783 1.00 13.44 C ATOM 0 H ALA A 64 -1.336 14.198 25.307 1.00 24.31 H new ATOM 0 HA ALA A 64 -2.734 12.016 26.400 1.00 63.22 H new ATOM 0 HB1 ALA A 64 -4.720 13.413 25.937 1.00 13.44 H new ATOM 0 HB2 ALA A 64 -3.404 14.359 26.672 1.00 13.44 H new ATOM 0 HB3 ALA A 64 -3.721 14.483 24.925 1.00 13.44 H new ATOM 956 N LEU A 65 -2.725 12.195 23.147 1.00 34.33 N ATOM 957 CA LEU A 65 -3.089 11.485 21.926 1.00 54.43 C ATOM 958 C LEU A 65 -2.184 10.277 21.707 1.00 13.22 C ATOM 959 O LEU A 65 -2.650 9.197 21.340 1.00 2.42 O ATOM 960 CB LEU A 65 -3.004 12.425 20.722 1.00 42.31 C ATOM 961 CG LEU A 65 -3.722 11.960 19.455 1.00 53.33 C ATOM 962 CD1 LEU A 65 -5.220 11.854 19.699 1.00 64.14 C ATOM 963 CD2 LEU A 65 -3.434 12.908 18.300 1.00 51.32 C ATOM 0 H LEU A 65 -2.078 12.971 23.007 1.00 34.33 H new ATOM 0 HA LEU A 65 -4.115 11.132 22.033 1.00 54.43 H new ATOM 0 HB2 LEU A 65 -3.413 13.393 21.013 1.00 42.31 H new ATOM 0 HB3 LEU A 65 -1.952 12.582 20.483 1.00 42.31 H new ATOM 0 HG LEU A 65 -3.347 10.972 19.190 1.00 53.33 H new ATOM 0 HD11 LEU A 65 -5.715 11.522 18.786 1.00 64.14 H new ATOM 0 HD12 LEU A 65 -5.409 11.135 20.496 1.00 64.14 H new ATOM 0 HD13 LEU A 65 -5.611 12.829 19.989 1.00 64.14 H new ATOM 0 HD21 LEU A 65 -3.953 12.561 17.407 1.00 51.32 H new ATOM 0 HD22 LEU A 65 -3.781 13.909 18.556 1.00 51.32 H new ATOM 0 HD23 LEU A 65 -2.361 12.934 18.109 1.00 51.32 H new ATOM 975 N LEU A 66 -0.890 10.465 21.937 1.00 45.40 N ATOM 976 CA LEU A 66 0.082 9.390 21.768 1.00 52.23 C ATOM 977 C LEU A 66 -0.143 8.286 22.796 1.00 54.13 C ATOM 978 O LEU A 66 0.191 7.125 22.559 1.00 34.12 O ATOM 979 CB LEU A 66 1.505 9.937 21.893 1.00 13.34 C ATOM 980 CG LEU A 66 2.633 8.923 21.705 1.00 61.25 C ATOM 981 CD1 LEU A 66 2.793 8.570 20.234 1.00 41.11 C ATOM 982 CD2 LEU A 66 3.938 9.465 22.270 1.00 72.30 C ATOM 0 H LEU A 66 -0.489 11.352 22.241 1.00 45.40 H new ATOM 0 HA LEU A 66 -0.051 8.967 20.772 1.00 52.23 H new ATOM 0 HB2 LEU A 66 1.633 10.733 21.159 1.00 13.34 H new ATOM 0 HB3 LEU A 66 1.613 10.392 22.878 1.00 13.34 H new ATOM 0 HG LEU A 66 2.374 8.015 22.250 1.00 61.25 H new ATOM 0 HD11 LEU A 66 3.601 7.847 20.119 1.00 41.11 H new ATOM 0 HD12 LEU A 66 1.864 8.139 19.860 1.00 41.11 H new ATOM 0 HD13 LEU A 66 3.029 9.471 19.667 1.00 41.11 H new ATOM 0 HD21 LEU A 66 4.730 8.729 22.127 1.00 72.30 H new ATOM 0 HD22 LEU A 66 4.203 10.388 21.754 1.00 72.30 H new ATOM 0 HD23 LEU A 66 3.818 9.667 23.334 1.00 72.30 H new ATOM 994 N LYS A 67 -0.714 8.655 23.937 1.00 0.34 N ATOM 995 CA LYS A 67 -0.988 7.697 25.001 1.00 30.24 C ATOM 996 C LYS A 67 -2.006 6.656 24.547 1.00 32.10 C ATOM 997 O LYS A 67 -2.102 5.575 25.127 1.00 64.54 O ATOM 998 CB LYS A 67 -1.504 8.420 26.247 1.00 2.44 C ATOM 999 CG LYS A 67 -1.597 7.529 27.474 1.00 64.03 C ATOM 1000 CD LYS A 67 -1.159 8.262 28.730 1.00 1.35 C ATOM 1001 CE LYS A 67 -1.023 7.313 29.911 1.00 35.11 C ATOM 1002 NZ LYS A 67 0.402 7.079 30.274 1.00 73.32 N ATOM 0 H LYS A 67 -0.996 9.612 24.149 1.00 0.34 H new ATOM 0 HA LYS A 67 -0.056 7.187 25.244 1.00 30.24 H new ATOM 0 HB2 LYS A 67 -0.846 9.260 26.468 1.00 2.44 H new ATOM 0 HB3 LYS A 67 -2.489 8.835 26.034 1.00 2.44 H new ATOM 0 HG2 LYS A 67 -2.623 7.180 27.594 1.00 64.03 H new ATOM 0 HG3 LYS A 67 -0.974 6.646 27.331 1.00 64.03 H new ATOM 0 HD2 LYS A 67 -0.205 8.758 28.549 1.00 1.35 H new ATOM 0 HD3 LYS A 67 -1.883 9.041 28.969 1.00 1.35 H new ATOM 0 HE2 LYS A 67 -1.554 7.724 30.770 1.00 35.11 H new ATOM 0 HE3 LYS A 67 -1.497 6.362 29.669 1.00 35.11 H new ATOM 0 HZ1 LYS A 67 0.452 6.427 31.083 1.00 73.32 H new ATOM 0 HZ2 LYS A 67 0.903 6.663 29.463 1.00 73.32 H new ATOM 0 HZ3 LYS A 67 0.848 7.983 30.530 1.00 73.32 H new ATOM 1016 N GLN A 68 -2.763 6.990 23.507 1.00 71.22 N ATOM 1017 CA GLN A 68 -3.773 6.083 22.975 1.00 33.42 C ATOM 1018 C GLN A 68 -3.154 5.095 21.991 1.00 15.40 C ATOM 1019 O GLN A 68 -3.301 3.882 22.139 1.00 35.14 O ATOM 1020 CB GLN A 68 -4.889 6.873 22.289 1.00 1.23 C ATOM 1021 CG GLN A 68 -6.111 7.087 23.167 1.00 34.23 C ATOM 1022 CD GLN A 68 -7.412 6.851 22.424 1.00 3.34 C ATOM 1023 OE1 GLN A 68 -8.326 6.207 22.939 1.00 71.11 O ATOM 1024 NE2 GLN A 68 -7.501 7.374 21.207 1.00 73.00 N ATOM 0 H GLN A 68 -2.696 7.882 23.016 1.00 71.22 H new ATOM 0 HA GLN A 68 -4.195 5.521 23.808 1.00 33.42 H new ATOM 0 HB2 GLN A 68 -4.499 7.843 21.980 1.00 1.23 H new ATOM 0 HB3 GLN A 68 -5.191 6.348 21.383 1.00 1.23 H new ATOM 0 HG2 GLN A 68 -6.060 6.416 24.024 1.00 34.23 H new ATOM 0 HG3 GLN A 68 -6.099 8.105 23.558 1.00 34.23 H new ATOM 0 HE21 GLN A 68 -6.718 7.901 20.820 1.00 73.00 H new ATOM 0 HE22 GLN A 68 -8.352 7.249 20.659 1.00 73.00 H new ATOM 1033 N ILE A 69 -2.463 5.624 20.987 1.00 71.52 N ATOM 1034 CA ILE A 69 -1.822 4.788 19.979 1.00 3.31 C ATOM 1035 C ILE A 69 -0.706 3.947 20.591 1.00 54.32 C ATOM 1036 O ILE A 69 -0.319 2.916 20.042 1.00 60.50 O ATOM 1037 CB ILE A 69 -1.240 5.636 18.832 1.00 31.03 C ATOM 1038 CG1 ILE A 69 -0.386 6.775 19.393 1.00 13.13 C ATOM 1039 CG2 ILE A 69 -2.359 6.185 17.960 1.00 42.42 C ATOM 1040 CD1 ILE A 69 0.461 7.467 18.348 1.00 32.51 C ATOM 0 H ILE A 69 -2.333 6.626 20.850 1.00 71.52 H new ATOM 0 HA ILE A 69 -2.593 4.129 19.579 1.00 3.31 H new ATOM 0 HB ILE A 69 -0.604 5.000 18.216 1.00 31.03 H new ATOM 0 HG12 ILE A 69 -1.039 7.510 19.864 1.00 13.13 H new ATOM 0 HG13 ILE A 69 0.265 6.380 20.173 1.00 13.13 H new ATOM 0 HG21 ILE A 69 -1.933 6.782 17.154 1.00 42.42 H new ATOM 0 HG22 ILE A 69 -2.929 5.358 17.537 1.00 42.42 H new ATOM 0 HG23 ILE A 69 -3.018 6.809 18.564 1.00 42.42 H new ATOM 0 HD11 ILE A 69 1.039 8.263 18.817 1.00 32.51 H new ATOM 0 HD12 ILE A 69 1.139 6.745 17.893 1.00 32.51 H new ATOM 0 HD13 ILE A 69 -0.185 7.892 17.580 1.00 32.51 H new ATOM 1052 N LYS A 70 -0.194 4.394 21.732 1.00 12.25 N ATOM 1053 CA LYS A 70 0.875 3.682 22.423 1.00 51.44 C ATOM 1054 C LYS A 70 0.310 2.573 23.303 1.00 35.24 C ATOM 1055 O LYS A 70 0.907 1.504 23.430 1.00 10.42 O ATOM 1056 CB LYS A 70 1.697 4.654 23.273 1.00 53.04 C ATOM 1057 CG LYS A 70 2.714 5.450 22.474 1.00 41.21 C ATOM 1058 CD LYS A 70 3.917 4.601 22.099 1.00 71.31 C ATOM 1059 CE LYS A 70 4.616 5.140 20.860 1.00 11.14 C ATOM 1060 NZ LYS A 70 4.825 4.080 19.836 1.00 44.13 N ATOM 0 H LYS A 70 -0.502 5.247 22.199 1.00 12.25 H new ATOM 0 HA LYS A 70 1.522 3.230 21.671 1.00 51.44 H new ATOM 0 HB2 LYS A 70 1.021 5.345 23.776 1.00 53.04 H new ATOM 0 HB3 LYS A 70 2.216 4.094 24.051 1.00 53.04 H new ATOM 0 HG2 LYS A 70 2.245 5.837 21.570 1.00 41.21 H new ATOM 0 HG3 LYS A 70 3.042 6.311 23.056 1.00 41.21 H new ATOM 0 HD2 LYS A 70 4.619 4.576 22.932 1.00 71.31 H new ATOM 0 HD3 LYS A 70 3.597 3.574 21.920 1.00 71.31 H new ATOM 0 HE2 LYS A 70 4.023 5.948 20.431 1.00 11.14 H new ATOM 0 HE3 LYS A 70 5.578 5.567 21.143 1.00 11.14 H new ATOM 0 HZ1 LYS A 70 5.304 4.487 19.008 1.00 44.13 H new ATOM 0 HZ2 LYS A 70 5.412 3.321 20.237 1.00 44.13 H new ATOM 0 HZ3 LYS A 70 3.905 3.690 19.547 1.00 44.13 H new ATOM 1074 N GLN A 71 -0.845 2.834 23.908 1.00 70.41 N ATOM 1075 CA GLN A 71 -1.490 1.856 24.776 1.00 73.31 C ATOM 1076 C GLN A 71 -2.427 0.955 23.978 1.00 33.54 C ATOM 1077 O GLN A 71 -2.295 -0.269 24.001 1.00 75.31 O ATOM 1078 CB GLN A 71 -2.267 2.563 25.887 1.00 14.24 C ATOM 1079 CG GLN A 71 -1.377 3.255 26.907 1.00 41.34 C ATOM 1080 CD GLN A 71 -0.979 2.342 28.050 1.00 50.35 C ATOM 1081 OE1 GLN A 71 -0.305 1.332 27.846 1.00 35.35 O ATOM 1082 NE2 GLN A 71 -1.394 2.694 29.261 1.00 54.13 N ATOM 0 H GLN A 71 -1.352 3.714 23.813 1.00 70.41 H new ATOM 0 HA GLN A 71 -0.713 1.236 25.224 1.00 73.31 H new ATOM 0 HB2 GLN A 71 -2.934 3.300 25.440 1.00 14.24 H new ATOM 0 HB3 GLN A 71 -2.895 1.835 26.400 1.00 14.24 H new ATOM 0 HG2 GLN A 71 -0.479 3.621 26.410 1.00 41.34 H new ATOM 0 HG3 GLN A 71 -1.898 4.125 27.307 1.00 41.34 H new ATOM 0 HE21 GLN A 71 -1.951 3.540 29.383 1.00 54.13 H new ATOM 0 HE22 GLN A 71 -1.156 2.119 30.069 1.00 54.13 H new ATOM 1091 N ARG A 72 -3.373 1.568 23.275 1.00 75.21 N ATOM 1092 CA ARG A 72 -4.334 0.821 22.472 1.00 64.44 C ATOM 1093 C ARG A 72 -3.621 -0.160 21.545 1.00 42.11 C ATOM 1094 O ARG A 72 -3.912 -1.357 21.547 1.00 1.54 O ATOM 1095 CB ARG A 72 -5.198 1.778 21.650 1.00 14.51 C ATOM 1096 CG ARG A 72 -6.029 2.729 22.498 1.00 65.43 C ATOM 1097 CD ARG A 72 -7.434 2.890 21.940 1.00 62.15 C ATOM 1098 NE ARG A 72 -8.352 3.457 22.924 1.00 60.33 N ATOM 1099 CZ ARG A 72 -8.774 2.800 23.998 1.00 34.03 C ATOM 1100 NH1 ARG A 72 -8.363 1.560 24.226 1.00 2.41 N ATOM 1101 NH2 ARG A 72 -9.610 3.383 24.848 1.00 1.51 N ATOM 0 H ARG A 72 -3.495 2.580 23.245 1.00 75.21 H new ATOM 0 HA ARG A 72 -4.974 0.256 23.150 1.00 64.44 H new ATOM 0 HB2 ARG A 72 -4.554 2.360 20.991 1.00 14.51 H new ATOM 0 HB3 ARG A 72 -5.864 1.196 21.013 1.00 14.51 H new ATOM 0 HG2 ARG A 72 -6.083 2.354 23.520 1.00 65.43 H new ATOM 0 HG3 ARG A 72 -5.540 3.702 22.541 1.00 65.43 H new ATOM 0 HD2 ARG A 72 -7.403 3.533 21.060 1.00 62.15 H new ATOM 0 HD3 ARG A 72 -7.807 1.920 21.613 1.00 62.15 H new ATOM 0 HE ARG A 72 -8.687 4.409 22.778 1.00 60.33 H new ATOM 0 HH11 ARG A 72 -7.721 1.108 23.575 1.00 2.41 H new ATOM 0 HH12 ARG A 72 -8.689 1.058 25.052 1.00 2.41 H new ATOM 0 HH21 ARG A 72 -9.929 4.337 24.677 1.00 1.51 H new ATOM 0 HH22 ARG A 72 -9.934 2.877 25.673 1.00 1.51 H new ATOM 1115 N HIS A 73 -2.686 0.355 20.753 1.00 41.43 N ATOM 1116 CA HIS A 73 -1.931 -0.475 19.821 1.00 52.34 C ATOM 1117 C HIS A 73 -0.660 0.237 19.366 1.00 31.53 C ATOM 1118 O HIS A 73 -0.619 0.875 18.314 1.00 31.32 O ATOM 1119 CB HIS A 73 -2.792 -0.829 18.608 1.00 74.10 C ATOM 1120 CG HIS A 73 -3.861 0.179 18.317 1.00 34.24 C ATOM 1121 ND1 HIS A 73 -5.198 -0.046 18.573 1.00 24.32 N ATOM 1122 CD2 HIS A 73 -3.785 1.424 17.791 1.00 31.42 C ATOM 1123 CE1 HIS A 73 -5.897 1.016 18.215 1.00 31.33 C ATOM 1124 NE2 HIS A 73 -5.063 1.922 17.738 1.00 15.31 N ATOM 0 H HIS A 73 -2.433 1.343 20.738 1.00 41.43 H new ATOM 0 HA HIS A 73 -1.648 -1.392 20.337 1.00 52.34 H new ATOM 0 HB2 HIS A 73 -2.149 -0.928 17.733 1.00 74.10 H new ATOM 0 HB3 HIS A 73 -3.256 -1.801 18.774 1.00 74.10 H new ATOM 0 HD1 HIS A 73 -5.586 -0.899 18.976 1.00 24.32 H new ATOM 0 HD2 HIS A 73 -2.886 1.931 17.472 1.00 31.42 H new ATOM 0 HE1 HIS A 73 -6.968 1.125 18.298 1.00 31.33 H new ATOM 1132 N PRO A 74 0.403 0.126 20.177 1.00 14.12 N ATOM 1133 CA PRO A 74 1.694 0.752 19.879 1.00 1.22 C ATOM 1134 C PRO A 74 2.401 0.091 18.701 1.00 21.52 C ATOM 1135 O PRO A 74 3.430 0.575 18.231 1.00 12.31 O ATOM 1136 CB PRO A 74 2.494 0.545 21.168 1.00 42.43 C ATOM 1137 CG PRO A 74 1.886 -0.657 21.802 1.00 31.34 C ATOM 1138 CD PRO A 74 0.425 -0.619 21.447 1.00 2.01 C ATOM 0 HA PRO A 74 1.584 1.798 19.593 1.00 1.22 H new ATOM 0 HB2 PRO A 74 3.552 0.389 20.957 1.00 42.43 H new ATOM 0 HB3 PRO A 74 2.425 1.415 21.821 1.00 42.43 H new ATOM 0 HG2 PRO A 74 2.353 -1.571 21.434 1.00 31.34 H new ATOM 0 HG3 PRO A 74 2.025 -0.641 22.883 1.00 31.34 H new ATOM 0 HD2 PRO A 74 0.013 -1.622 21.332 1.00 2.01 H new ATOM 0 HD3 PRO A 74 -0.163 -0.119 22.217 1.00 2.01 H new ATOM 1146 N MET A 75 1.842 -1.019 18.229 1.00 41.11 N ATOM 1147 CA MET A 75 2.419 -1.746 17.104 1.00 42.30 C ATOM 1148 C MET A 75 2.317 -0.929 15.820 1.00 64.35 C ATOM 1149 O MET A 75 3.041 -1.178 14.854 1.00 22.55 O ATOM 1150 CB MET A 75 1.715 -3.092 16.924 1.00 50.23 C ATOM 1151 CG MET A 75 2.150 -3.843 15.676 1.00 24.21 C ATOM 1152 SD MET A 75 3.923 -4.175 15.648 1.00 15.12 S ATOM 1153 CE MET A 75 4.281 -3.954 13.907 1.00 10.33 C ATOM 0 H MET A 75 0.991 -1.434 18.608 1.00 41.11 H new ATOM 0 HA MET A 75 3.473 -1.922 17.319 1.00 42.30 H new ATOM 0 HB2 MET A 75 1.908 -3.714 17.798 1.00 50.23 H new ATOM 0 HB3 MET A 75 0.638 -2.927 16.882 1.00 50.23 H new ATOM 0 HG2 MET A 75 1.607 -4.786 15.616 1.00 24.21 H new ATOM 0 HG3 MET A 75 1.879 -3.262 14.794 1.00 24.21 H new ATOM 0 HE1 MET A 75 5.104 -4.608 13.619 1.00 10.33 H new ATOM 0 HE2 MET A 75 3.397 -4.202 13.319 1.00 10.33 H new ATOM 0 HE3 MET A 75 4.560 -2.917 13.722 1.00 10.33 H new ATOM 1163 N LEU A 76 1.415 0.046 15.814 1.00 63.24 N ATOM 1164 CA LEU A 76 1.219 0.899 14.647 1.00 53.21 C ATOM 1165 C LEU A 76 2.364 1.897 14.503 1.00 74.33 C ATOM 1166 O LEU A 76 2.958 2.343 15.484 1.00 13.42 O ATOM 1167 CB LEU A 76 -0.112 1.645 14.755 1.00 53.34 C ATOM 1168 CG LEU A 76 -0.035 3.087 15.258 1.00 42.22 C ATOM 1169 CD1 LEU A 76 0.030 4.058 14.089 1.00 70.33 C ATOM 1170 CD2 LEU A 76 -1.225 3.405 16.152 1.00 65.22 C ATOM 0 H LEU A 76 0.808 0.266 16.604 1.00 63.24 H new ATOM 0 HA LEU A 76 1.202 0.264 13.762 1.00 53.21 H new ATOM 0 HB2 LEU A 76 -0.584 1.649 13.773 1.00 53.34 H new ATOM 0 HB3 LEU A 76 -0.767 1.084 15.421 1.00 53.34 H new ATOM 0 HG LEU A 76 0.876 3.197 15.846 1.00 42.22 H new ATOM 0 HD11 LEU A 76 0.084 5.079 14.467 1.00 70.33 H new ATOM 0 HD12 LEU A 76 0.915 3.846 13.488 1.00 70.33 H new ATOM 0 HD13 LEU A 76 -0.862 3.946 13.473 1.00 70.33 H new ATOM 0 HD21 LEU A 76 -1.153 4.435 16.501 1.00 65.22 H new ATOM 0 HD22 LEU A 76 -2.149 3.276 15.588 1.00 65.22 H new ATOM 0 HD23 LEU A 76 -1.227 2.731 17.009 1.00 65.22 H new ATOM 1182 N PRO A 77 2.681 2.257 13.250 1.00 14.12 N ATOM 1183 CA PRO A 77 3.755 3.208 12.948 1.00 55.11 C ATOM 1184 C PRO A 77 3.406 4.630 13.374 1.00 42.34 C ATOM 1185 O PRO A 77 2.404 5.193 12.932 1.00 4.52 O ATOM 1186 CB PRO A 77 3.886 3.123 11.425 1.00 33.43 C ATOM 1187 CG PRO A 77 2.548 2.667 10.955 1.00 54.23 C ATOM 1188 CD PRO A 77 2.015 1.765 12.033 1.00 73.52 C ATOM 0 HA PRO A 77 4.674 2.968 13.483 1.00 55.11 H new ATOM 0 HB2 PRO A 77 4.148 4.090 10.996 1.00 33.43 H new ATOM 0 HB3 PRO A 77 4.668 2.422 11.133 1.00 33.43 H new ATOM 0 HG2 PRO A 77 1.882 3.515 10.791 1.00 54.23 H new ATOM 0 HG3 PRO A 77 2.628 2.136 10.006 1.00 54.23 H new ATOM 0 HD2 PRO A 77 0.930 1.833 12.113 1.00 73.52 H new ATOM 0 HD3 PRO A 77 2.256 0.720 11.838 1.00 73.52 H new ATOM 1196 N VAL A 78 4.240 5.207 14.234 1.00 71.33 N ATOM 1197 CA VAL A 78 4.021 6.564 14.718 1.00 52.42 C ATOM 1198 C VAL A 78 5.277 7.414 14.559 1.00 33.10 C ATOM 1199 O VAL A 78 6.395 6.922 14.716 1.00 14.33 O ATOM 1200 CB VAL A 78 3.594 6.571 16.198 1.00 71.53 C ATOM 1201 CG1 VAL A 78 3.404 7.996 16.693 1.00 52.11 C ATOM 1202 CG2 VAL A 78 2.323 5.757 16.388 1.00 14.15 C ATOM 0 H VAL A 78 5.074 4.755 14.610 1.00 71.33 H new ATOM 0 HA VAL A 78 3.219 6.989 14.114 1.00 52.42 H new ATOM 0 HB VAL A 78 4.386 6.110 16.789 1.00 71.53 H new ATOM 0 HG11 VAL A 78 3.102 7.980 17.740 1.00 52.11 H new ATOM 0 HG12 VAL A 78 4.341 8.544 16.593 1.00 52.11 H new ATOM 0 HG13 VAL A 78 2.632 8.487 16.101 1.00 52.11 H new ATOM 0 HG21 VAL A 78 2.035 5.772 17.439 1.00 14.15 H new ATOM 0 HG22 VAL A 78 1.522 6.187 15.786 1.00 14.15 H new ATOM 0 HG23 VAL A 78 2.500 4.728 16.075 1.00 14.15 H new ATOM 1212 N ILE A 79 5.085 8.691 14.247 1.00 53.10 N ATOM 1213 CA ILE A 79 6.202 9.610 14.068 1.00 24.45 C ATOM 1214 C ILE A 79 6.006 10.880 14.889 1.00 41.14 C ATOM 1215 O ILE A 79 4.918 11.456 14.908 1.00 0.41 O ATOM 1216 CB ILE A 79 6.387 9.991 12.588 1.00 55.22 C ATOM 1217 CG1 ILE A 79 6.415 8.735 11.715 1.00 44.14 C ATOM 1218 CG2 ILE A 79 7.662 10.800 12.404 1.00 51.00 C ATOM 1219 CD1 ILE A 79 6.488 9.031 10.233 1.00 63.31 C ATOM 0 H ILE A 79 4.166 9.113 14.113 1.00 53.10 H new ATOM 0 HA ILE A 79 7.096 9.091 14.414 1.00 24.45 H new ATOM 0 HB ILE A 79 5.542 10.607 12.279 1.00 55.22 H new ATOM 0 HG12 ILE A 79 7.273 8.125 11.998 1.00 44.14 H new ATOM 0 HG13 ILE A 79 5.522 8.143 11.916 1.00 44.14 H new ATOM 0 HG21 ILE A 79 7.778 11.062 11.352 1.00 51.00 H new ATOM 0 HG22 ILE A 79 7.604 11.711 13.000 1.00 51.00 H new ATOM 0 HG23 ILE A 79 8.518 10.208 12.728 1.00 51.00 H new ATOM 0 HD11 ILE A 79 6.505 8.095 9.675 1.00 63.31 H new ATOM 0 HD12 ILE A 79 5.617 9.615 9.935 1.00 63.31 H new ATOM 0 HD13 ILE A 79 7.395 9.597 10.019 1.00 63.31 H new ATOM 1231 N ILE A 80 7.066 11.312 15.563 1.00 44.11 N ATOM 1232 CA ILE A 80 7.011 12.516 16.382 1.00 3.43 C ATOM 1233 C ILE A 80 7.304 13.761 15.551 1.00 75.21 C ATOM 1234 O ILE A 80 8.300 13.819 14.831 1.00 31.31 O ATOM 1235 CB ILE A 80 8.011 12.448 17.552 1.00 70.32 C ATOM 1236 CG1 ILE A 80 7.929 11.084 18.242 1.00 45.44 C ATOM 1237 CG2 ILE A 80 7.741 13.567 18.546 1.00 51.31 C ATOM 1238 CD1 ILE A 80 6.548 10.752 18.761 1.00 23.40 C ATOM 0 H ILE A 80 7.973 10.846 15.558 1.00 44.11 H new ATOM 0 HA ILE A 80 5.999 12.578 16.782 1.00 3.43 H new ATOM 0 HB ILE A 80 9.019 12.575 17.157 1.00 70.32 H new ATOM 0 HG12 ILE A 80 8.240 10.311 17.539 1.00 45.44 H new ATOM 0 HG13 ILE A 80 8.635 11.063 19.072 1.00 45.44 H new ATOM 0 HG21 ILE A 80 8.456 13.505 19.367 1.00 51.31 H new ATOM 0 HG22 ILE A 80 7.845 14.530 18.046 1.00 51.31 H new ATOM 0 HG23 ILE A 80 6.729 13.469 18.938 1.00 51.31 H new ATOM 0 HD11 ILE A 80 6.564 9.772 19.237 1.00 23.40 H new ATOM 0 HD12 ILE A 80 6.242 11.504 19.488 1.00 23.40 H new ATOM 0 HD13 ILE A 80 5.841 10.741 17.932 1.00 23.40 H new ATOM 1250 N MET A 81 6.429 14.756 15.657 1.00 75.50 N ATOM 1251 CA MET A 81 6.595 16.001 14.917 1.00 55.11 C ATOM 1252 C MET A 81 6.355 17.206 15.821 1.00 42.44 C ATOM 1253 O MET A 81 5.286 17.347 16.415 1.00 1.54 O ATOM 1254 CB MET A 81 5.635 16.043 13.726 1.00 42.31 C ATOM 1255 CG MET A 81 5.500 17.423 13.103 1.00 11.43 C ATOM 1256 SD MET A 81 4.902 17.363 11.403 1.00 30.13 S ATOM 1257 CE MET A 81 3.146 17.135 11.670 1.00 15.31 C ATOM 0 H MET A 81 5.598 14.724 16.248 1.00 75.50 H new ATOM 0 HA MET A 81 7.620 16.043 14.550 1.00 55.11 H new ATOM 0 HB2 MET A 81 5.981 15.342 12.966 1.00 42.31 H new ATOM 0 HB3 MET A 81 4.652 15.702 14.050 1.00 42.31 H new ATOM 0 HG2 MET A 81 4.816 18.023 13.703 1.00 11.43 H new ATOM 0 HG3 MET A 81 6.468 17.924 13.126 1.00 11.43 H new ATOM 0 HE1 MET A 81 2.749 16.454 10.918 1.00 15.31 H new ATOM 0 HE2 MET A 81 2.980 16.716 12.663 1.00 15.31 H new ATOM 0 HE3 MET A 81 2.638 18.096 11.593 1.00 15.31 H new ATOM 1267 N THR A 82 7.357 18.074 15.920 1.00 4.40 N ATOM 1268 CA THR A 82 7.256 19.267 16.752 1.00 22.41 C ATOM 1269 C THR A 82 8.511 20.124 16.639 1.00 3.20 C ATOM 1270 O THR A 82 9.417 19.816 15.865 1.00 3.04 O ATOM 1271 CB THR A 82 7.029 18.902 18.231 1.00 21.43 C ATOM 1272 OG1 THR A 82 6.635 20.065 18.968 1.00 71.41 O ATOM 1273 CG2 THR A 82 8.291 18.311 18.843 1.00 52.32 C ATOM 0 H THR A 82 8.248 17.973 15.434 1.00 4.40 H new ATOM 0 HA THR A 82 6.399 19.834 16.389 1.00 22.41 H new ATOM 0 HB THR A 82 6.236 18.155 18.280 1.00 21.43 H new ATOM 0 HG1 THR A 82 7.073 20.061 19.844 1.00 71.41 H new ATOM 0 HG21 THR A 82 8.106 18.061 19.888 1.00 52.32 H new ATOM 0 HG22 THR A 82 8.572 17.409 18.298 1.00 52.32 H new ATOM 0 HG23 THR A 82 9.100 19.039 18.782 1.00 52.32 H new ATOM 1281 N ALA A 83 8.558 21.202 17.416 1.00 63.52 N ATOM 1282 CA ALA A 83 9.704 22.102 17.404 1.00 3.24 C ATOM 1283 C ALA A 83 10.648 21.804 18.564 1.00 2.33 C ATOM 1284 O ALA A 83 10.537 20.767 19.218 1.00 73.40 O ATOM 1285 CB ALA A 83 9.238 23.550 17.459 1.00 65.43 C ATOM 0 H ALA A 83 7.816 21.473 18.061 1.00 63.52 H new ATOM 0 HA ALA A 83 10.251 21.942 16.475 1.00 3.24 H new ATOM 0 HB1 ALA A 83 10.104 24.212 17.449 1.00 65.43 H new ATOM 0 HB2 ALA A 83 8.609 23.763 16.595 1.00 65.43 H new ATOM 0 HB3 ALA A 83 8.666 23.714 18.373 1.00 65.43 H new ATOM 1291 N HIS A 84 11.578 22.720 18.815 1.00 43.53 N ATOM 1292 CA HIS A 84 12.542 22.555 19.897 1.00 44.33 C ATOM 1293 C HIS A 84 11.837 22.208 21.204 1.00 23.33 C ATOM 1294 O HIS A 84 12.416 21.567 22.082 1.00 42.14 O ATOM 1295 CB HIS A 84 13.368 23.830 20.072 1.00 54.41 C ATOM 1296 CG HIS A 84 12.554 25.086 19.995 1.00 62.41 C ATOM 1297 ND1 HIS A 84 12.773 26.068 19.052 1.00 24.22 N ATOM 1298 CD2 HIS A 84 11.516 25.515 20.749 1.00 13.32 C ATOM 1299 CE1 HIS A 84 11.906 27.048 19.231 1.00 1.22 C ATOM 1300 NE2 HIS A 84 11.131 26.737 20.255 1.00 42.24 N ATOM 0 H HIS A 84 11.684 23.584 18.284 1.00 43.53 H new ATOM 0 HA HIS A 84 13.208 21.733 19.635 1.00 44.33 H new ATOM 0 HB2 HIS A 84 13.876 23.795 21.036 1.00 54.41 H new ATOM 0 HB3 HIS A 84 14.141 23.860 19.305 1.00 54.41 H new ATOM 0 HD2 HIS A 84 11.073 24.993 21.584 1.00 13.32 H new ATOM 0 HE1 HIS A 84 11.841 27.950 18.641 1.00 1.22 H new ATOM 0 HE2 HIS A 84 10.371 27.311 20.619 1.00 42.24 H new ATOM 1308 N SER A 85 10.585 22.635 21.328 1.00 51.45 N ATOM 1309 CA SER A 85 9.802 22.373 22.530 1.00 45.42 C ATOM 1310 C SER A 85 9.551 20.878 22.700 1.00 44.15 C ATOM 1311 O SER A 85 9.121 20.200 21.767 1.00 71.04 O ATOM 1312 CB SER A 85 8.470 23.122 22.470 1.00 53.22 C ATOM 1313 OG SER A 85 8.602 24.343 21.762 1.00 71.42 O ATOM 0 H SER A 85 10.090 23.165 20.610 1.00 51.45 H new ATOM 0 HA SER A 85 10.371 22.728 23.389 1.00 45.42 H new ATOM 0 HB2 SER A 85 7.719 22.497 21.986 1.00 53.22 H new ATOM 0 HB3 SER A 85 8.115 23.321 23.481 1.00 53.22 H new ATOM 0 HG SER A 85 8.697 25.082 22.399 1.00 71.42 H new ATOM 1319 N ASP A 86 9.824 20.371 23.897 1.00 51.22 N ATOM 1320 CA ASP A 86 9.627 18.957 24.191 1.00 62.51 C ATOM 1321 C ASP A 86 10.544 18.090 23.333 1.00 4.51 C ATOM 1322 O ASP A 86 10.336 16.883 23.206 1.00 51.21 O ATOM 1323 CB ASP A 86 8.168 18.563 23.957 1.00 51.13 C ATOM 1324 CG ASP A 86 7.790 17.284 24.678 1.00 1.30 C ATOM 1325 OD1 ASP A 86 8.027 17.201 25.901 1.00 13.52 O ATOM 1326 OD2 ASP A 86 7.259 16.366 24.019 1.00 34.22 O ATOM 0 H ASP A 86 10.182 20.918 24.679 1.00 51.22 H new ATOM 0 HA ASP A 86 9.876 18.792 25.239 1.00 62.51 H new ATOM 0 HB2 ASP A 86 7.518 19.371 24.293 1.00 51.13 H new ATOM 0 HB3 ASP A 86 7.995 18.438 22.888 1.00 51.13 H new ATOM 1331 N LEU A 87 11.559 18.714 22.746 1.00 44.54 N ATOM 1332 CA LEU A 87 12.509 18.001 21.898 1.00 12.23 C ATOM 1333 C LEU A 87 13.194 16.879 22.672 1.00 14.44 C ATOM 1334 O LEU A 87 13.699 15.924 22.083 1.00 20.23 O ATOM 1335 CB LEU A 87 13.557 18.969 21.346 1.00 31.12 C ATOM 1336 CG LEU A 87 14.798 18.330 20.722 1.00 31.20 C ATOM 1337 CD1 LEU A 87 14.427 17.562 19.463 1.00 51.23 C ATOM 1338 CD2 LEU A 87 15.846 19.389 20.414 1.00 52.32 C ATOM 0 H LEU A 87 11.746 19.712 22.841 1.00 44.54 H new ATOM 0 HA LEU A 87 11.957 17.561 21.067 1.00 12.23 H new ATOM 0 HB2 LEU A 87 13.081 19.599 20.595 1.00 31.12 H new ATOM 0 HB3 LEU A 87 13.878 19.625 22.155 1.00 31.12 H new ATOM 0 HG LEU A 87 15.221 17.627 21.440 1.00 31.20 H new ATOM 0 HD11 LEU A 87 15.323 17.114 19.033 1.00 51.23 H new ATOM 0 HD12 LEU A 87 13.713 16.777 19.713 1.00 51.23 H new ATOM 0 HD13 LEU A 87 13.979 18.243 18.740 1.00 51.23 H new ATOM 0 HD21 LEU A 87 16.722 18.916 19.971 1.00 52.32 H new ATOM 0 HD22 LEU A 87 15.434 20.117 19.715 1.00 52.32 H new ATOM 0 HD23 LEU A 87 16.134 19.895 21.336 1.00 52.32 H new ATOM 1350 N ASP A 88 13.205 17.002 23.995 1.00 35.42 N ATOM 1351 CA ASP A 88 13.824 15.996 24.851 1.00 41.32 C ATOM 1352 C ASP A 88 13.224 14.618 24.592 1.00 62.21 C ATOM 1353 O ASP A 88 13.891 13.598 24.764 1.00 35.24 O ATOM 1354 CB ASP A 88 13.652 16.373 26.323 1.00 31.22 C ATOM 1355 CG ASP A 88 12.196 16.535 26.713 1.00 52.43 C ATOM 1356 OD1 ASP A 88 11.472 15.518 26.743 1.00 60.14 O ATOM 1357 OD2 ASP A 88 11.780 17.680 26.989 1.00 43.15 O ATOM 0 H ASP A 88 12.793 17.788 24.498 1.00 35.42 H new ATOM 0 HA ASP A 88 14.888 15.959 24.616 1.00 41.32 H new ATOM 0 HB2 ASP A 88 14.109 15.605 26.947 1.00 31.22 H new ATOM 0 HB3 ASP A 88 14.184 17.304 26.521 1.00 31.22 H new ATOM 1362 N ALA A 89 11.962 14.596 24.178 1.00 75.11 N ATOM 1363 CA ALA A 89 11.272 13.343 23.894 1.00 2.34 C ATOM 1364 C ALA A 89 11.800 12.704 22.615 1.00 61.42 C ATOM 1365 O ALA A 89 11.647 11.501 22.402 1.00 42.20 O ATOM 1366 CB ALA A 89 9.773 13.578 23.790 1.00 54.14 C ATOM 0 H ALA A 89 11.396 15.432 24.032 1.00 75.11 H new ATOM 0 HA ALA A 89 11.464 12.656 24.718 1.00 2.34 H new ATOM 0 HB1 ALA A 89 9.271 12.634 23.578 1.00 54.14 H new ATOM 0 HB2 ALA A 89 9.402 13.983 24.732 1.00 54.14 H new ATOM 0 HB3 ALA A 89 9.571 14.286 22.986 1.00 54.14 H new ATOM 1372 N ALA A 90 12.421 13.515 21.765 1.00 2.44 N ATOM 1373 CA ALA A 90 12.973 13.028 20.507 1.00 34.13 C ATOM 1374 C ALA A 90 13.913 11.851 20.740 1.00 64.51 C ATOM 1375 O ALA A 90 14.080 10.995 19.871 1.00 74.41 O ATOM 1376 CB ALA A 90 13.698 14.150 19.779 1.00 21.31 C ATOM 0 H ALA A 90 12.554 14.513 21.925 1.00 2.44 H new ATOM 0 HA ALA A 90 12.147 12.682 19.886 1.00 34.13 H new ATOM 0 HB1 ALA A 90 14.105 13.772 18.841 1.00 21.31 H new ATOM 0 HB2 ALA A 90 12.999 14.960 19.571 1.00 21.31 H new ATOM 0 HB3 ALA A 90 14.510 14.523 20.403 1.00 21.31 H new ATOM 1382 N VAL A 91 14.528 11.814 21.918 1.00 33.42 N ATOM 1383 CA VAL A 91 15.452 10.741 22.265 1.00 30.41 C ATOM 1384 C VAL A 91 14.708 9.535 22.828 1.00 72.23 C ATOM 1385 O VAL A 91 14.799 8.431 22.291 1.00 34.31 O ATOM 1386 CB VAL A 91 16.497 11.211 23.294 1.00 21.12 C ATOM 1387 CG1 VAL A 91 17.580 10.158 23.475 1.00 43.45 C ATOM 1388 CG2 VAL A 91 17.100 12.542 22.870 1.00 23.51 C ATOM 0 H VAL A 91 14.403 12.515 22.648 1.00 33.42 H new ATOM 0 HA VAL A 91 15.962 10.453 21.346 1.00 30.41 H new ATOM 0 HB VAL A 91 15.999 11.353 24.253 1.00 21.12 H new ATOM 0 HG11 VAL A 91 18.309 10.508 24.206 1.00 43.45 H new ATOM 0 HG12 VAL A 91 17.130 9.230 23.827 1.00 43.45 H new ATOM 0 HG13 VAL A 91 18.078 9.981 22.522 1.00 43.45 H new ATOM 0 HG21 VAL A 91 17.836 12.860 23.608 1.00 23.51 H new ATOM 0 HG22 VAL A 91 17.584 12.430 21.900 1.00 23.51 H new ATOM 0 HG23 VAL A 91 16.312 13.292 22.798 1.00 23.51 H new ATOM 1398 N SER A 92 13.971 9.754 23.912 1.00 2.01 N ATOM 1399 CA SER A 92 13.213 8.684 24.550 1.00 0.33 C ATOM 1400 C SER A 92 12.332 7.963 23.535 1.00 33.22 C ATOM 1401 O SER A 92 12.168 6.745 23.594 1.00 30.40 O ATOM 1402 CB SER A 92 12.351 9.247 25.682 1.00 22.44 C ATOM 1403 OG SER A 92 13.078 10.183 26.460 1.00 75.24 O ATOM 0 H SER A 92 13.883 10.663 24.367 1.00 2.01 H new ATOM 0 HA SER A 92 13.921 7.967 24.964 1.00 0.33 H new ATOM 0 HB2 SER A 92 11.465 9.726 25.265 1.00 22.44 H new ATOM 0 HB3 SER A 92 12.003 8.433 26.318 1.00 22.44 H new ATOM 0 HG SER A 92 12.505 10.529 27.175 1.00 75.24 H new ATOM 1409 N ALA A 93 11.766 8.725 22.605 1.00 63.23 N ATOM 1410 CA ALA A 93 10.903 8.159 21.575 1.00 3.40 C ATOM 1411 C ALA A 93 11.587 6.997 20.863 1.00 10.11 C ATOM 1412 O ALA A 93 11.037 5.899 20.778 1.00 70.24 O ATOM 1413 CB ALA A 93 10.504 9.233 20.573 1.00 34.25 C ATOM 0 H ALA A 93 11.889 9.736 22.544 1.00 63.23 H new ATOM 0 HA ALA A 93 10.004 7.776 22.059 1.00 3.40 H new ATOM 0 HB1 ALA A 93 9.860 8.797 19.809 1.00 34.25 H new ATOM 0 HB2 ALA A 93 9.968 10.030 21.088 1.00 34.25 H new ATOM 0 HB3 ALA A 93 11.398 9.642 20.103 1.00 34.25 H new ATOM 1419 N TYR A 94 12.788 7.246 20.353 1.00 20.02 N ATOM 1420 CA TYR A 94 13.545 6.221 19.646 1.00 64.45 C ATOM 1421 C TYR A 94 13.685 4.962 20.497 1.00 44.15 C ATOM 1422 O TYR A 94 13.543 3.845 19.999 1.00 12.44 O ATOM 1423 CB TYR A 94 14.930 6.750 19.266 1.00 35.23 C ATOM 1424 CG TYR A 94 14.896 7.827 18.206 1.00 42.12 C ATOM 1425 CD1 TYR A 94 14.116 7.683 17.065 1.00 2.02 C ATOM 1426 CD2 TYR A 94 15.644 8.990 18.345 1.00 23.33 C ATOM 1427 CE1 TYR A 94 14.084 8.664 16.094 1.00 54.54 C ATOM 1428 CE2 TYR A 94 15.617 9.977 17.380 1.00 54.15 C ATOM 1429 CZ TYR A 94 14.835 9.810 16.255 1.00 22.44 C ATOM 1430 OH TYR A 94 14.804 10.790 15.290 1.00 2.24 O ATOM 0 H TYR A 94 13.258 8.149 20.416 1.00 20.02 H new ATOM 0 HA TYR A 94 13.000 5.965 18.738 1.00 64.45 H new ATOM 0 HB2 TYR A 94 15.416 7.145 20.158 1.00 35.23 H new ATOM 0 HB3 TYR A 94 15.542 5.921 18.910 1.00 35.23 H new ATOM 0 HD1 TYR A 94 13.525 6.789 16.936 1.00 2.02 H new ATOM 0 HD2 TYR A 94 16.257 9.124 19.224 1.00 23.33 H new ATOM 0 HE1 TYR A 94 13.474 8.535 15.212 1.00 54.54 H new ATOM 0 HE2 TYR A 94 16.204 10.875 17.505 1.00 54.15 H new ATOM 0 HH TYR A 94 15.387 11.531 15.557 1.00 2.24 H new ATOM 1440 N GLN A 95 13.965 5.153 21.782 1.00 71.12 N ATOM 1441 CA GLN A 95 14.124 4.034 22.703 1.00 64.33 C ATOM 1442 C GLN A 95 12.782 3.369 22.989 1.00 30.20 C ATOM 1443 O GLN A 95 12.725 2.189 23.336 1.00 40.43 O ATOM 1444 CB GLN A 95 14.761 4.508 24.010 1.00 0.31 C ATOM 1445 CG GLN A 95 16.149 5.101 23.831 1.00 63.13 C ATOM 1446 CD GLN A 95 16.835 5.391 25.151 1.00 22.02 C ATOM 1447 OE1 GLN A 95 17.138 4.478 25.920 1.00 12.33 O ATOM 1448 NE2 GLN A 95 17.085 6.667 25.421 1.00 33.13 N ATOM 0 H GLN A 95 14.086 6.071 22.209 1.00 71.12 H new ATOM 0 HA GLN A 95 14.779 3.300 22.233 1.00 64.33 H new ATOM 0 HB2 GLN A 95 14.113 5.254 24.471 1.00 0.31 H new ATOM 0 HB3 GLN A 95 14.821 3.667 24.701 1.00 0.31 H new ATOM 0 HG2 GLN A 95 16.762 4.411 23.251 1.00 63.13 H new ATOM 0 HG3 GLN A 95 16.074 6.023 23.255 1.00 63.13 H new ATOM 0 HE21 GLN A 95 16.817 7.391 24.755 1.00 33.13 H new ATOM 0 HE22 GLN A 95 17.545 6.923 26.294 1.00 33.13 H new ATOM 1457 N GLN A 96 11.705 4.134 22.842 1.00 60.31 N ATOM 1458 CA GLN A 96 10.363 3.618 23.086 1.00 22.01 C ATOM 1459 C GLN A 96 9.835 2.874 21.864 1.00 42.11 C ATOM 1460 O GLN A 96 8.866 2.122 21.953 1.00 14.24 O ATOM 1461 CB GLN A 96 9.414 4.760 23.452 1.00 11.13 C ATOM 1462 CG GLN A 96 8.866 4.666 24.867 1.00 5.24 C ATOM 1463 CD GLN A 96 8.158 5.933 25.304 1.00 13.13 C ATOM 1464 OE1 GLN A 96 8.767 6.828 25.892 1.00 35.51 O ATOM 1465 NE2 GLN A 96 6.864 6.016 25.019 1.00 54.34 N ATOM 0 H GLN A 96 11.735 5.112 22.555 1.00 60.31 H new ATOM 0 HA GLN A 96 10.416 2.918 23.920 1.00 22.01 H new ATOM 0 HB2 GLN A 96 9.939 5.708 23.337 1.00 11.13 H new ATOM 0 HB3 GLN A 96 8.581 4.769 22.749 1.00 11.13 H new ATOM 0 HG2 GLN A 96 8.173 3.827 24.929 1.00 5.24 H new ATOM 0 HG3 GLN A 96 9.684 4.455 25.556 1.00 5.24 H new ATOM 0 HE21 GLN A 96 6.399 5.251 24.530 1.00 54.34 H new ATOM 0 HE22 GLN A 96 6.335 6.845 25.289 1.00 54.34 H new ATOM 1474 N GLY A 97 10.480 3.090 20.721 1.00 21.13 N ATOM 1475 CA GLY A 97 10.061 2.433 19.497 1.00 15.11 C ATOM 1476 C GLY A 97 9.601 3.417 18.440 1.00 71.15 C ATOM 1477 O GLY A 97 8.805 3.073 17.567 1.00 73.05 O ATOM 0 H GLY A 97 11.285 3.708 20.621 1.00 21.13 H new ATOM 0 HA2 GLY A 97 10.888 1.842 19.104 1.00 15.11 H new ATOM 0 HA3 GLY A 97 9.251 1.739 19.720 1.00 15.11 H new ATOM 1481 N ALA A 98 10.102 4.645 18.518 1.00 1.24 N ATOM 1482 CA ALA A 98 9.738 5.682 17.560 1.00 23.33 C ATOM 1483 C ALA A 98 10.264 5.351 16.168 1.00 41.13 C ATOM 1484 O ALA A 98 11.156 4.517 16.012 1.00 61.22 O ATOM 1485 CB ALA A 98 10.266 7.033 18.019 1.00 43.02 C ATOM 0 H ALA A 98 10.762 4.947 19.235 1.00 1.24 H new ATOM 0 HA ALA A 98 8.650 5.729 17.507 1.00 23.33 H new ATOM 0 HB1 ALA A 98 9.987 7.798 17.294 1.00 43.02 H new ATOM 0 HB2 ALA A 98 9.838 7.280 18.990 1.00 43.02 H new ATOM 0 HB3 ALA A 98 11.352 6.990 18.101 1.00 43.02 H new ATOM 1491 N PHE A 99 9.706 6.010 15.158 1.00 74.34 N ATOM 1492 CA PHE A 99 10.117 5.784 13.777 1.00 44.10 C ATOM 1493 C PHE A 99 11.116 6.847 13.327 1.00 75.34 C ATOM 1494 O PHE A 99 12.254 6.535 12.975 1.00 14.41 O ATOM 1495 CB PHE A 99 8.899 5.788 12.852 1.00 53.32 C ATOM 1496 CG PHE A 99 9.175 5.211 11.493 1.00 25.22 C ATOM 1497 CD1 PHE A 99 9.224 3.839 11.306 1.00 70.22 C ATOM 1498 CD2 PHE A 99 9.387 6.040 10.403 1.00 34.13 C ATOM 1499 CE1 PHE A 99 9.479 3.305 10.057 1.00 43.02 C ATOM 1500 CE2 PHE A 99 9.642 5.512 9.152 1.00 60.23 C ATOM 1501 CZ PHE A 99 9.687 4.142 8.978 1.00 4.52 C ATOM 0 H PHE A 99 8.968 6.705 15.270 1.00 74.34 H new ATOM 0 HA PHE A 99 10.601 4.809 13.723 1.00 44.10 H new ATOM 0 HB2 PHE A 99 8.095 5.222 13.322 1.00 53.32 H new ATOM 0 HB3 PHE A 99 8.543 6.812 12.738 1.00 53.32 H new ATOM 0 HD1 PHE A 99 9.061 3.179 12.146 1.00 70.22 H new ATOM 0 HD2 PHE A 99 9.352 7.112 10.533 1.00 34.13 H new ATOM 0 HE1 PHE A 99 9.516 2.234 9.925 1.00 43.02 H new ATOM 0 HE2 PHE A 99 9.806 6.169 8.311 1.00 60.23 H new ATOM 0 HZ PHE A 99 9.884 3.727 8.001 1.00 4.52 H new ATOM 1511 N ASP A 100 10.680 8.102 13.340 1.00 63.35 N ATOM 1512 CA ASP A 100 11.535 9.211 12.933 1.00 13.52 C ATOM 1513 C ASP A 100 11.016 10.531 13.496 1.00 10.02 C ATOM 1514 O ASP A 100 9.967 10.574 14.139 1.00 31.43 O ATOM 1515 CB ASP A 100 11.614 9.290 11.408 1.00 63.32 C ATOM 1516 CG ASP A 100 13.043 9.350 10.905 1.00 63.50 C ATOM 1517 OD1 ASP A 100 13.651 8.275 10.714 1.00 51.02 O ATOM 1518 OD2 ASP A 100 13.554 10.471 10.702 1.00 72.33 O ATOM 0 H ASP A 100 9.741 8.376 13.628 1.00 63.35 H new ATOM 0 HA ASP A 100 12.534 9.033 13.332 1.00 13.52 H new ATOM 0 HB2 ASP A 100 11.116 8.422 10.976 1.00 63.32 H new ATOM 0 HB3 ASP A 100 11.073 10.172 11.064 1.00 63.32 H new ATOM 1523 N TYR A 101 11.758 11.605 13.251 1.00 11.10 N ATOM 1524 CA TYR A 101 11.375 12.926 13.736 1.00 30.45 C ATOM 1525 C TYR A 101 11.215 13.906 12.579 1.00 51.32 C ATOM 1526 O TYR A 101 12.195 14.308 11.950 1.00 53.32 O ATOM 1527 CB TYR A 101 12.418 13.451 14.724 1.00 10.22 C ATOM 1528 CG TYR A 101 11.989 14.708 15.446 1.00 13.43 C ATOM 1529 CD1 TYR A 101 10.789 14.757 16.145 1.00 72.21 C ATOM 1530 CD2 TYR A 101 12.784 15.848 15.431 1.00 71.25 C ATOM 1531 CE1 TYR A 101 10.392 15.904 16.805 1.00 24.42 C ATOM 1532 CE2 TYR A 101 12.396 16.999 16.089 1.00 23.43 C ATOM 1533 CZ TYR A 101 11.200 17.022 16.775 1.00 74.33 C ATOM 1534 OH TYR A 101 10.809 18.166 17.432 1.00 20.54 O ATOM 0 H TYR A 101 12.628 11.587 12.719 1.00 11.10 H new ATOM 0 HA TYR A 101 10.416 12.834 14.245 1.00 30.45 H new ATOM 0 HB2 TYR A 101 12.633 12.675 15.459 1.00 10.22 H new ATOM 0 HB3 TYR A 101 13.347 13.649 14.188 1.00 10.22 H new ATOM 0 HD1 TYR A 101 10.155 13.883 16.173 1.00 72.21 H new ATOM 0 HD2 TYR A 101 13.722 15.834 14.895 1.00 71.25 H new ATOM 0 HE1 TYR A 101 9.455 15.925 17.341 1.00 24.42 H new ATOM 0 HE2 TYR A 101 13.026 17.876 16.066 1.00 23.43 H new ATOM 0 HH TYR A 101 10.550 18.847 16.777 1.00 20.54 H new ATOM 1544 N LEU A 102 9.973 14.288 12.303 1.00 12.34 N ATOM 1545 CA LEU A 102 9.682 15.223 11.222 1.00 52.12 C ATOM 1546 C LEU A 102 9.164 16.548 11.772 1.00 41.21 C ATOM 1547 O LEU A 102 7.968 16.839 11.735 1.00 3.01 O ATOM 1548 CB LEU A 102 8.654 14.620 10.262 1.00 24.25 C ATOM 1549 CG LEU A 102 8.518 15.310 8.905 1.00 73.22 C ATOM 1550 CD1 LEU A 102 9.735 15.028 8.038 1.00 41.40 C ATOM 1551 CD2 LEU A 102 7.245 14.859 8.203 1.00 61.41 C ATOM 0 H LEU A 102 9.151 13.965 12.813 1.00 12.34 H new ATOM 0 HA LEU A 102 10.609 15.413 10.680 1.00 52.12 H new ATOM 0 HB2 LEU A 102 8.915 13.575 10.092 1.00 24.25 H new ATOM 0 HB3 LEU A 102 7.680 14.630 10.751 1.00 24.25 H new ATOM 0 HG LEU A 102 8.457 16.386 9.070 1.00 73.22 H new ATOM 0 HD11 LEU A 102 9.620 15.527 7.076 1.00 41.40 H new ATOM 0 HD12 LEU A 102 10.630 15.401 8.536 1.00 41.40 H new ATOM 0 HD13 LEU A 102 9.828 13.954 7.880 1.00 41.40 H new ATOM 0 HD21 LEU A 102 7.164 15.360 7.238 1.00 61.41 H new ATOM 0 HD22 LEU A 102 7.277 13.780 8.050 1.00 61.41 H new ATOM 0 HD23 LEU A 102 6.381 15.113 8.817 1.00 61.41 H new ATOM 1563 N PRO A 103 10.085 17.373 12.293 1.00 54.01 N ATOM 1564 CA PRO A 103 9.745 18.682 12.858 1.00 40.30 C ATOM 1565 C PRO A 103 9.313 19.681 11.789 1.00 21.43 C ATOM 1566 O PRO A 103 9.821 19.664 10.668 1.00 51.12 O ATOM 1567 CB PRO A 103 11.051 19.135 13.515 1.00 23.54 C ATOM 1568 CG PRO A 103 12.120 18.415 12.768 1.00 24.43 C ATOM 1569 CD PRO A 103 11.528 17.091 12.370 1.00 51.21 C ATOM 0 HA PRO A 103 8.903 18.621 13.548 1.00 40.30 H new ATOM 0 HB2 PRO A 103 11.177 20.215 13.443 1.00 23.54 H new ATOM 0 HB3 PRO A 103 11.070 18.882 14.575 1.00 23.54 H new ATOM 0 HG2 PRO A 103 12.433 18.982 11.891 1.00 24.43 H new ATOM 0 HG3 PRO A 103 13.004 18.276 13.390 1.00 24.43 H new ATOM 0 HD2 PRO A 103 11.922 16.746 11.414 1.00 51.21 H new ATOM 0 HD3 PRO A 103 11.747 16.316 13.104 1.00 51.21 H new ATOM 1577 N LYS A 104 8.373 20.550 12.144 1.00 71.02 N ATOM 1578 CA LYS A 104 7.873 21.558 11.216 1.00 21.22 C ATOM 1579 C LYS A 104 8.520 22.913 11.484 1.00 24.31 C ATOM 1580 O LYS A 104 8.965 23.207 12.594 1.00 32.41 O ATOM 1581 CB LYS A 104 6.352 21.676 11.331 1.00 54.04 C ATOM 1582 CG LYS A 104 5.863 21.883 12.754 1.00 71.52 C ATOM 1583 CD LYS A 104 4.938 20.760 13.194 1.00 13.41 C ATOM 1584 CE LYS A 104 3.480 21.192 13.153 1.00 33.15 C ATOM 1585 NZ LYS A 104 3.193 22.272 14.137 1.00 4.35 N ATOM 0 H LYS A 104 7.942 20.577 13.068 1.00 71.02 H new ATOM 0 HA LYS A 104 8.132 21.245 10.204 1.00 21.22 H new ATOM 0 HB2 LYS A 104 6.013 22.509 10.715 1.00 54.04 H new ATOM 0 HB3 LYS A 104 5.894 20.773 10.926 1.00 54.04 H new ATOM 0 HG2 LYS A 104 6.717 21.938 13.429 1.00 71.52 H new ATOM 0 HG3 LYS A 104 5.339 22.836 12.825 1.00 71.52 H new ATOM 0 HD2 LYS A 104 5.081 19.895 12.547 1.00 13.41 H new ATOM 0 HD3 LYS A 104 5.198 20.448 14.205 1.00 13.41 H new ATOM 0 HE2 LYS A 104 3.232 21.540 12.150 1.00 33.15 H new ATOM 0 HE3 LYS A 104 2.841 20.333 13.360 1.00 33.15 H new ATOM 0 HZ1 LYS A 104 2.600 21.895 14.904 1.00 4.35 H new ATOM 0 HZ2 LYS A 104 4.087 22.627 14.533 1.00 4.35 H new ATOM 0 HZ3 LYS A 104 2.692 23.050 13.662 1.00 4.35 H new ATOM 1599 N PRO A 105 8.575 23.759 10.445 1.00 13.43 N ATOM 1600 CA PRO A 105 8.049 23.420 9.119 1.00 5.34 C ATOM 1601 C PRO A 105 8.886 22.354 8.420 1.00 54.00 C ATOM 1602 O PRO A 105 10.116 22.398 8.449 1.00 73.33 O ATOM 1603 CB PRO A 105 8.127 24.746 8.357 1.00 22.35 C ATOM 1604 CG PRO A 105 9.212 25.509 9.036 1.00 53.43 C ATOM 1605 CD PRO A 105 9.154 25.113 10.485 1.00 75.20 C ATOM 0 HA PRO A 105 7.044 23.002 9.173 1.00 5.34 H new ATOM 0 HB2 PRO A 105 8.356 24.585 7.304 1.00 22.35 H new ATOM 0 HB3 PRO A 105 7.179 25.283 8.399 1.00 22.35 H new ATOM 0 HG2 PRO A 105 10.185 25.271 8.605 1.00 53.43 H new ATOM 0 HG3 PRO A 105 9.066 26.583 8.919 1.00 53.43 H new ATOM 0 HD2 PRO A 105 10.144 25.114 10.942 1.00 75.20 H new ATOM 0 HD3 PRO A 105 8.535 25.798 11.064 1.00 75.20 H new ATOM 1613 N PHE A 106 8.211 21.397 7.792 1.00 54.12 N ATOM 1614 CA PHE A 106 8.892 20.319 7.085 1.00 31.20 C ATOM 1615 C PHE A 106 8.510 20.310 5.608 1.00 52.22 C ATOM 1616 O PHE A 106 7.498 20.890 5.214 1.00 51.22 O ATOM 1617 CB PHE A 106 8.550 18.969 7.720 1.00 65.15 C ATOM 1618 CG PHE A 106 7.154 18.503 7.422 1.00 61.42 C ATOM 1619 CD1 PHE A 106 6.884 17.768 6.279 1.00 72.04 C ATOM 1620 CD2 PHE A 106 6.112 18.799 8.285 1.00 54.51 C ATOM 1621 CE1 PHE A 106 5.600 17.337 6.002 1.00 60.03 C ATOM 1622 CE2 PHE A 106 4.826 18.371 8.014 1.00 60.14 C ATOM 1623 CZ PHE A 106 4.570 17.640 6.870 1.00 34.20 C ATOM 0 H PHE A 106 7.193 21.346 7.758 1.00 54.12 H new ATOM 0 HA PHE A 106 9.966 20.489 7.163 1.00 31.20 H new ATOM 0 HB2 PHE A 106 9.258 18.220 7.365 1.00 65.15 H new ATOM 0 HB3 PHE A 106 8.677 19.042 8.800 1.00 65.15 H new ATOM 0 HD1 PHE A 106 7.686 17.529 5.596 1.00 72.04 H new ATOM 0 HD2 PHE A 106 6.307 19.371 9.180 1.00 54.51 H new ATOM 0 HE1 PHE A 106 5.403 16.764 5.108 1.00 60.03 H new ATOM 0 HE2 PHE A 106 4.022 18.608 8.696 1.00 60.14 H new ATOM 0 HZ PHE A 106 3.566 17.306 6.655 1.00 34.20 H new ATOM 1633 N ASP A 107 9.327 19.649 4.796 1.00 60.04 N ATOM 1634 CA ASP A 107 9.076 19.564 3.362 1.00 73.34 C ATOM 1635 C ASP A 107 8.249 18.326 3.027 1.00 12.05 C ATOM 1636 O ASP A 107 8.732 17.198 3.133 1.00 54.20 O ATOM 1637 CB ASP A 107 10.397 19.533 2.592 1.00 71.34 C ATOM 1638 CG ASP A 107 10.721 20.864 1.944 1.00 53.45 C ATOM 1639 OD1 ASP A 107 9.828 21.435 1.283 1.00 32.00 O ATOM 1640 OD2 ASP A 107 11.867 21.336 2.096 1.00 23.21 O ATOM 0 H ASP A 107 10.169 19.164 5.106 1.00 60.04 H new ATOM 0 HA ASP A 107 8.511 20.448 3.064 1.00 73.34 H new ATOM 0 HB2 ASP A 107 11.204 19.257 3.271 1.00 71.34 H new ATOM 0 HB3 ASP A 107 10.349 18.761 1.824 1.00 71.34 H new ATOM 1645 N ILE A 108 7.001 18.545 2.626 1.00 45.04 N ATOM 1646 CA ILE A 108 6.108 17.447 2.276 1.00 1.54 C ATOM 1647 C ILE A 108 6.767 16.498 1.281 1.00 55.20 C ATOM 1648 O ILE A 108 6.431 15.315 1.220 1.00 11.34 O ATOM 1649 CB ILE A 108 4.787 17.966 1.678 1.00 61.52 C ATOM 1650 CG1 ILE A 108 5.025 18.536 0.278 1.00 20.30 C ATOM 1651 CG2 ILE A 108 4.171 19.018 2.587 1.00 54.32 C ATOM 1652 CD1 ILE A 108 5.836 19.812 0.275 1.00 4.35 C ATOM 0 H ILE A 108 6.586 19.472 2.535 1.00 45.04 H new ATOM 0 HA ILE A 108 5.893 16.908 3.199 1.00 1.54 H new ATOM 0 HB ILE A 108 4.090 17.132 1.596 1.00 61.52 H new ATOM 0 HG12 ILE A 108 5.537 17.788 -0.328 1.00 20.30 H new ATOM 0 HG13 ILE A 108 4.062 18.726 -0.197 1.00 20.30 H new ATOM 0 HG21 ILE A 108 3.238 19.375 2.151 1.00 54.32 H new ATOM 0 HG22 ILE A 108 3.970 18.581 3.565 1.00 54.32 H new ATOM 0 HG23 ILE A 108 4.863 19.853 2.698 1.00 54.32 H new ATOM 0 HD11 ILE A 108 5.965 20.159 -0.750 1.00 4.35 H new ATOM 0 HD12 ILE A 108 5.315 20.575 0.853 1.00 4.35 H new ATOM 0 HD13 ILE A 108 6.813 19.623 0.720 1.00 4.35 H new ATOM 1664 N ASP A 109 7.707 17.024 0.504 1.00 54.25 N ATOM 1665 CA ASP A 109 8.415 16.223 -0.488 1.00 2.21 C ATOM 1666 C ASP A 109 9.112 15.036 0.170 1.00 42.31 C ATOM 1667 O ASP A 109 9.145 13.939 -0.385 1.00 72.42 O ATOM 1668 CB ASP A 109 9.438 17.083 -1.233 1.00 21.45 C ATOM 1669 CG ASP A 109 8.792 17.994 -2.257 1.00 50.22 C ATOM 1670 OD1 ASP A 109 7.939 17.509 -3.030 1.00 20.42 O ATOM 1671 OD2 ASP A 109 9.139 19.193 -2.286 1.00 55.40 O ATOM 0 H ASP A 109 7.997 18.001 0.542 1.00 54.25 H new ATOM 0 HA ASP A 109 7.684 15.842 -1.201 1.00 2.21 H new ATOM 0 HB2 ASP A 109 9.994 17.685 -0.515 1.00 21.45 H new ATOM 0 HB3 ASP A 109 10.159 16.435 -1.731 1.00 21.45 H new ATOM 1676 N GLU A 110 9.669 15.266 1.355 1.00 60.20 N ATOM 1677 CA GLU A 110 10.367 14.215 2.087 1.00 40.24 C ATOM 1678 C GLU A 110 9.393 13.407 2.940 1.00 44.42 C ATOM 1679 O GLU A 110 9.670 12.264 3.302 1.00 10.30 O ATOM 1680 CB GLU A 110 11.459 14.819 2.972 1.00 32.15 C ATOM 1681 CG GLU A 110 12.600 13.861 3.271 1.00 73.32 C ATOM 1682 CD GLU A 110 13.955 14.439 2.914 1.00 64.53 C ATOM 1683 OE1 GLU A 110 14.419 15.351 3.629 1.00 62.11 O ATOM 1684 OE2 GLU A 110 14.553 13.977 1.918 1.00 15.44 O ATOM 0 H GLU A 110 9.651 16.169 1.828 1.00 60.20 H new ATOM 0 HA GLU A 110 10.828 13.545 1.361 1.00 40.24 H new ATOM 0 HB2 GLU A 110 11.860 15.707 2.484 1.00 32.15 H new ATOM 0 HB3 GLU A 110 11.014 15.145 3.912 1.00 32.15 H new ATOM 0 HG2 GLU A 110 12.586 13.605 4.330 1.00 73.32 H new ATOM 0 HG3 GLU A 110 12.447 12.935 2.717 1.00 73.32 H new ATOM 1691 N ALA A 111 8.253 14.011 3.257 1.00 33.04 N ATOM 1692 CA ALA A 111 7.237 13.348 4.066 1.00 3.33 C ATOM 1693 C ALA A 111 6.456 12.331 3.242 1.00 63.23 C ATOM 1694 O ALA A 111 6.159 11.233 3.712 1.00 73.41 O ATOM 1695 CB ALA A 111 6.293 14.375 4.673 1.00 52.40 C ATOM 0 H ALA A 111 8.009 14.958 2.966 1.00 33.04 H new ATOM 0 HA ALA A 111 7.741 12.813 4.871 1.00 3.33 H new ATOM 0 HB1 ALA A 111 5.540 13.866 5.274 1.00 52.40 H new ATOM 0 HB2 ALA A 111 6.858 15.061 5.304 1.00 52.40 H new ATOM 0 HB3 ALA A 111 5.804 14.935 3.876 1.00 52.40 H new ATOM 1701 N VAL A 112 6.126 12.703 2.009 1.00 1.20 N ATOM 1702 CA VAL A 112 5.380 11.823 1.118 1.00 34.55 C ATOM 1703 C VAL A 112 6.031 10.447 1.034 1.00 74.42 C ATOM 1704 O VAL A 112 5.345 9.428 0.955 1.00 74.01 O ATOM 1705 CB VAL A 112 5.274 12.416 -0.299 1.00 14.33 C ATOM 1706 CG1 VAL A 112 4.605 11.429 -1.243 1.00 22.30 C ATOM 1707 CG2 VAL A 112 4.515 13.734 -0.268 1.00 50.53 C ATOM 0 H VAL A 112 6.364 13.609 1.605 1.00 1.20 H new ATOM 0 HA VAL A 112 4.379 11.724 1.537 1.00 34.55 H new ATOM 0 HB VAL A 112 6.281 12.610 -0.669 1.00 14.33 H new ATOM 0 HG11 VAL A 112 4.539 11.866 -2.239 1.00 22.30 H new ATOM 0 HG12 VAL A 112 5.193 10.512 -1.287 1.00 22.30 H new ATOM 0 HG13 VAL A 112 3.603 11.200 -0.880 1.00 22.30 H new ATOM 0 HG21 VAL A 112 4.449 14.140 -1.278 1.00 50.53 H new ATOM 0 HG22 VAL A 112 3.511 13.567 0.122 1.00 50.53 H new ATOM 0 HG23 VAL A 112 5.040 14.441 0.374 1.00 50.53 H new ATOM 1717 N ALA A 113 7.359 10.425 1.051 1.00 23.42 N ATOM 1718 CA ALA A 113 8.104 9.173 0.979 1.00 14.40 C ATOM 1719 C ALA A 113 8.240 8.536 2.357 1.00 22.54 C ATOM 1720 O ALA A 113 8.347 7.315 2.480 1.00 63.41 O ATOM 1721 CB ALA A 113 9.476 9.410 0.367 1.00 42.43 C ATOM 0 H ALA A 113 7.942 11.260 1.114 1.00 23.42 H new ATOM 0 HA ALA A 113 7.549 8.484 0.342 1.00 14.40 H new ATOM 0 HB1 ALA A 113 10.021 8.467 0.319 1.00 42.43 H new ATOM 0 HB2 ALA A 113 9.361 9.814 -0.639 1.00 42.43 H new ATOM 0 HB3 ALA A 113 10.031 10.119 0.981 1.00 42.43 H new ATOM 1727 N LEU A 114 8.236 9.368 3.392 1.00 4.34 N ATOM 1728 CA LEU A 114 8.361 8.885 4.763 1.00 15.34 C ATOM 1729 C LEU A 114 7.047 8.281 5.249 1.00 71.22 C ATOM 1730 O LEU A 114 7.030 7.468 6.173 1.00 74.42 O ATOM 1731 CB LEU A 114 8.784 10.026 5.690 1.00 15.24 C ATOM 1732 CG LEU A 114 8.604 9.776 7.188 1.00 32.31 C ATOM 1733 CD1 LEU A 114 9.649 8.794 7.694 1.00 21.23 C ATOM 1734 CD2 LEU A 114 8.681 11.084 7.961 1.00 55.43 C ATOM 0 H LEU A 114 8.148 10.381 3.308 1.00 4.34 H new ATOM 0 HA LEU A 114 9.126 8.108 4.780 1.00 15.34 H new ATOM 0 HB2 LEU A 114 9.834 10.249 5.503 1.00 15.24 H new ATOM 0 HB3 LEU A 114 8.216 10.916 5.420 1.00 15.24 H new ATOM 0 HG LEU A 114 7.618 9.341 7.348 1.00 32.31 H new ATOM 0 HD11 LEU A 114 9.506 8.628 8.762 1.00 21.23 H new ATOM 0 HD12 LEU A 114 9.546 7.848 7.163 1.00 21.23 H new ATOM 0 HD13 LEU A 114 10.645 9.201 7.521 1.00 21.23 H new ATOM 0 HD21 LEU A 114 8.551 10.886 9.025 1.00 55.43 H new ATOM 0 HD22 LEU A 114 9.653 11.548 7.795 1.00 55.43 H new ATOM 0 HD23 LEU A 114 7.894 11.756 7.618 1.00 55.43 H new ATOM 1746 N VAL A 115 5.948 8.682 4.618 1.00 12.20 N ATOM 1747 CA VAL A 115 4.629 8.178 4.983 1.00 25.21 C ATOM 1748 C VAL A 115 4.546 6.668 4.789 1.00 33.02 C ATOM 1749 O VAL A 115 4.023 5.951 5.642 1.00 52.42 O ATOM 1750 CB VAL A 115 3.521 8.853 4.154 1.00 12.22 C ATOM 1751 CG1 VAL A 115 2.170 8.222 4.454 1.00 31.30 C ATOM 1752 CG2 VAL A 115 3.491 10.350 4.425 1.00 72.15 C ATOM 0 H VAL A 115 5.945 9.355 3.851 1.00 12.20 H new ATOM 0 HA VAL A 115 4.479 8.415 6.036 1.00 25.21 H new ATOM 0 HB VAL A 115 3.739 8.702 3.097 1.00 12.22 H new ATOM 0 HG11 VAL A 115 1.399 8.712 3.859 1.00 31.30 H new ATOM 0 HG12 VAL A 115 2.201 7.161 4.205 1.00 31.30 H new ATOM 0 HG13 VAL A 115 1.940 8.340 5.513 1.00 31.30 H new ATOM 0 HG21 VAL A 115 2.702 10.812 3.831 1.00 72.15 H new ATOM 0 HG22 VAL A 115 3.297 10.524 5.483 1.00 72.15 H new ATOM 0 HG23 VAL A 115 4.452 10.788 4.155 1.00 72.15 H new ATOM 1762 N GLU A 116 5.065 6.192 3.662 1.00 60.12 N ATOM 1763 CA GLU A 116 5.048 4.766 3.356 1.00 2.22 C ATOM 1764 C GLU A 116 6.218 4.052 4.027 1.00 45.23 C ATOM 1765 O GLU A 116 6.190 2.837 4.219 1.00 35.45 O ATOM 1766 CB GLU A 116 5.101 4.546 1.843 1.00 23.40 C ATOM 1767 CG GLU A 116 4.183 5.470 1.061 1.00 65.13 C ATOM 1768 CD GLU A 116 3.464 4.758 -0.069 1.00 0.52 C ATOM 1769 OE1 GLU A 116 2.499 4.018 0.216 1.00 3.44 O ATOM 1770 OE2 GLU A 116 3.865 4.941 -1.237 1.00 4.31 O ATOM 0 H GLU A 116 5.502 6.772 2.946 1.00 60.12 H new ATOM 0 HA GLU A 116 4.119 4.348 3.744 1.00 2.22 H new ATOM 0 HB2 GLU A 116 6.125 4.689 1.499 1.00 23.40 H new ATOM 0 HB3 GLU A 116 4.833 3.512 1.625 1.00 23.40 H new ATOM 0 HG2 GLU A 116 3.447 5.904 1.738 1.00 65.13 H new ATOM 0 HG3 GLU A 116 4.766 6.295 0.653 1.00 65.13 H new ATOM 1777 N ARG A 117 7.247 4.817 4.379 1.00 70.31 N ATOM 1778 CA ARG A 117 8.428 4.258 5.026 1.00 70.12 C ATOM 1779 C ARG A 117 8.035 3.375 6.206 1.00 34.15 C ATOM 1780 O ARG A 117 8.572 2.282 6.383 1.00 4.34 O ATOM 1781 CB ARG A 117 9.354 5.379 5.500 1.00 4.11 C ATOM 1782 CG ARG A 117 10.608 5.531 4.655 1.00 45.41 C ATOM 1783 CD ARG A 117 11.863 5.532 5.514 1.00 31.45 C ATOM 1784 NE ARG A 117 11.998 4.299 6.286 1.00 31.01 N ATOM 1785 CZ ARG A 117 12.782 4.181 7.352 1.00 15.52 C ATOM 1786 NH1 ARG A 117 13.496 5.217 7.771 1.00 22.31 N ATOM 1787 NH2 ARG A 117 12.851 3.027 8.002 1.00 60.40 N ATOM 0 H ARG A 117 7.286 5.825 4.227 1.00 70.31 H new ATOM 0 HA ARG A 117 8.956 3.644 4.296 1.00 70.12 H new ATOM 0 HB2 ARG A 117 8.805 6.320 5.492 1.00 4.11 H new ATOM 0 HB3 ARG A 117 9.643 5.187 6.533 1.00 4.11 H new ATOM 0 HG2 ARG A 117 10.662 4.717 3.932 1.00 45.41 H new ATOM 0 HG3 ARG A 117 10.554 6.459 4.086 1.00 45.41 H new ATOM 0 HD2 ARG A 117 12.738 5.659 4.877 1.00 31.45 H new ATOM 0 HD3 ARG A 117 11.837 6.384 6.193 1.00 31.45 H new ATOM 0 HE ARG A 117 11.461 3.484 5.990 1.00 31.01 H new ATOM 0 HH11 ARG A 117 13.444 6.107 7.275 1.00 22.31 H new ATOM 0 HH12 ARG A 117 14.097 5.124 8.590 1.00 22.31 H new ATOM 0 HH21 ARG A 117 12.302 2.229 7.684 1.00 60.40 H new ATOM 0 HH22 ARG A 117 13.453 2.938 8.820 1.00 60.40 H new ATOM 1801 N ALA A 118 7.093 3.857 7.012 1.00 65.05 N ATOM 1802 CA ALA A 118 6.627 3.111 8.174 1.00 42.40 C ATOM 1803 C ALA A 118 5.540 2.115 7.787 1.00 73.10 C ATOM 1804 O ALA A 118 5.545 0.970 8.239 1.00 33.35 O ATOM 1805 CB ALA A 118 6.115 4.066 9.243 1.00 62.25 C ATOM 0 H ALA A 118 6.638 4.761 6.881 1.00 65.05 H new ATOM 0 HA ALA A 118 7.470 2.550 8.577 1.00 42.40 H new ATOM 0 HB1 ALA A 118 5.770 3.496 10.105 1.00 62.25 H new ATOM 0 HB2 ALA A 118 6.919 4.735 9.549 1.00 62.25 H new ATOM 0 HB3 ALA A 118 5.288 4.652 8.841 1.00 62.25 H new ATOM 1811 N ILE A 119 4.609 2.558 6.949 1.00 51.13 N ATOM 1812 CA ILE A 119 3.516 1.704 6.501 1.00 15.23 C ATOM 1813 C ILE A 119 4.044 0.427 5.857 1.00 32.13 C ATOM 1814 O ILE A 119 3.368 -0.602 5.849 1.00 53.30 O ATOM 1815 CB ILE A 119 2.606 2.435 5.496 1.00 61.44 C ATOM 1816 CG1 ILE A 119 2.061 3.725 6.111 1.00 31.24 C ATOM 1817 CG2 ILE A 119 1.466 1.528 5.057 1.00 61.23 C ATOM 1818 CD1 ILE A 119 1.465 4.674 5.096 1.00 53.22 C ATOM 0 H ILE A 119 4.590 3.503 6.567 1.00 51.13 H new ATOM 0 HA ILE A 119 2.933 1.447 7.386 1.00 15.23 H new ATOM 0 HB ILE A 119 3.196 2.696 4.618 1.00 61.44 H new ATOM 0 HG12 ILE A 119 1.301 3.472 6.850 1.00 31.24 H new ATOM 0 HG13 ILE A 119 2.866 4.233 6.642 1.00 31.24 H new ATOM 0 HG21 ILE A 119 0.832 2.059 4.347 1.00 61.23 H new ATOM 0 HG22 ILE A 119 1.873 0.635 4.583 1.00 61.23 H new ATOM 0 HG23 ILE A 119 0.875 1.240 5.926 1.00 61.23 H new ATOM 0 HD11 ILE A 119 1.099 5.566 5.603 1.00 53.22 H new ATOM 0 HD12 ILE A 119 2.228 4.956 4.370 1.00 53.22 H new ATOM 0 HD13 ILE A 119 0.638 4.184 4.582 1.00 53.22 H new ATOM 1830 N SER A 120 5.257 0.500 5.320 1.00 63.31 N ATOM 1831 CA SER A 120 5.876 -0.650 4.672 1.00 64.44 C ATOM 1832 C SER A 120 6.384 -1.649 5.707 1.00 61.51 C ATOM 1833 O SER A 120 6.521 -2.840 5.423 1.00 43.12 O ATOM 1834 CB SER A 120 7.030 -0.197 3.775 1.00 62.20 C ATOM 1835 OG SER A 120 7.439 -1.238 2.905 1.00 60.13 O ATOM 0 H SER A 120 5.831 1.343 5.321 1.00 63.31 H new ATOM 0 HA SER A 120 5.120 -1.141 4.059 1.00 64.44 H new ATOM 0 HB2 SER A 120 6.722 0.670 3.190 1.00 62.20 H new ATOM 0 HB3 SER A 120 7.872 0.118 4.392 1.00 62.20 H new ATOM 0 HG SER A 120 8.176 -0.923 2.342 1.00 60.13 H new ATOM 1841 N HIS A 121 6.662 -1.156 6.910 1.00 72.24 N ATOM 1842 CA HIS A 121 7.154 -2.005 7.989 1.00 41.20 C ATOM 1843 C HIS A 121 6.248 -3.217 8.183 1.00 65.31 C ATOM 1844 O HIS A 121 6.717 -4.309 8.507 1.00 51.12 O ATOM 1845 CB HIS A 121 7.245 -1.209 9.291 1.00 45.50 C ATOM 1846 CG HIS A 121 7.929 -1.949 10.399 1.00 11.22 C ATOM 1847 ND1 HIS A 121 9.254 -2.327 10.347 1.00 50.33 N ATOM 1848 CD2 HIS A 121 7.463 -2.380 11.595 1.00 44.21 C ATOM 1849 CE1 HIS A 121 9.574 -2.960 11.461 1.00 15.55 C ATOM 1850 NE2 HIS A 121 8.505 -3.005 12.236 1.00 55.20 N ATOM 0 H HIS A 121 6.555 -0.173 7.162 1.00 72.24 H new ATOM 0 HA HIS A 121 8.149 -2.357 7.716 1.00 41.20 H new ATOM 0 HB2 HIS A 121 7.781 -0.279 9.102 1.00 45.50 H new ATOM 0 HB3 HIS A 121 6.239 -0.938 9.613 1.00 45.50 H new ATOM 0 HD2 HIS A 121 6.459 -2.256 11.974 1.00 44.21 H new ATOM 0 HE1 HIS A 121 10.544 -3.371 11.698 1.00 15.55 H new ATOM 0 HE2 HIS A 121 8.461 -3.434 13.160 1.00 55.20 H new ATOM 1858 N TYR A 122 4.950 -3.018 7.983 1.00 5.14 N ATOM 1859 CA TYR A 122 3.979 -4.094 8.140 1.00 40.15 C ATOM 1860 C TYR A 122 3.382 -4.488 6.792 1.00 35.12 C ATOM 1861 O TYR A 122 2.926 -5.617 6.610 1.00 11.32 O ATOM 1862 CB TYR A 122 2.866 -3.669 9.099 1.00 70.30 C ATOM 1863 CG TYR A 122 1.867 -2.715 8.483 1.00 22.55 C ATOM 1864 CD1 TYR A 122 0.755 -3.189 7.800 1.00 75.24 C ATOM 1865 CD2 TYR A 122 2.036 -1.340 8.587 1.00 71.11 C ATOM 1866 CE1 TYR A 122 -0.160 -2.321 7.235 1.00 20.31 C ATOM 1867 CE2 TYR A 122 1.126 -0.465 8.027 1.00 53.42 C ATOM 1868 CZ TYR A 122 0.030 -0.960 7.352 1.00 72.14 C ATOM 1869 OH TYR A 122 -0.880 -0.092 6.792 1.00 63.21 O ATOM 0 H TYR A 122 4.546 -2.122 7.712 1.00 5.14 H new ATOM 0 HA TYR A 122 4.496 -4.959 8.555 1.00 40.15 H new ATOM 0 HB2 TYR A 122 2.340 -4.557 9.448 1.00 70.30 H new ATOM 0 HB3 TYR A 122 3.313 -3.198 9.975 1.00 70.30 H new ATOM 0 HD1 TYR A 122 0.602 -4.254 7.709 1.00 75.24 H new ATOM 0 HD2 TYR A 122 2.893 -0.949 9.115 1.00 71.11 H new ATOM 0 HE1 TYR A 122 -1.019 -2.706 6.705 1.00 20.31 H new ATOM 0 HE2 TYR A 122 1.272 0.601 8.117 1.00 53.42 H new ATOM 0 HH TYR A 122 -0.923 0.727 7.328 1.00 63.21 H new ATOM 1879 N GLN A 123 3.388 -3.549 5.852 1.00 65.03 N ATOM 1880 CA GLN A 123 2.847 -3.798 4.521 1.00 44.43 C ATOM 1881 C GLN A 123 1.350 -4.080 4.586 1.00 50.42 C ATOM 1882 O GLN A 123 0.930 -5.153 5.015 1.00 32.35 O ATOM 1883 CB GLN A 123 3.572 -4.974 3.864 1.00 11.11 C ATOM 1884 CG GLN A 123 4.401 -4.578 2.653 1.00 74.34 C ATOM 1885 CD GLN A 123 3.575 -4.493 1.384 1.00 65.23 C ATOM 1886 OE1 GLN A 123 2.704 -5.328 1.139 1.00 64.33 O ATOM 1887 NE2 GLN A 123 3.846 -3.481 0.568 1.00 13.54 N ATOM 0 H GLN A 123 3.761 -2.609 5.987 1.00 65.03 H new ATOM 0 HA GLN A 123 3.004 -2.903 3.919 1.00 44.43 H new ATOM 0 HB2 GLN A 123 4.222 -5.446 4.600 1.00 11.11 H new ATOM 0 HB3 GLN A 123 2.837 -5.720 3.562 1.00 11.11 H new ATOM 0 HG2 GLN A 123 4.873 -3.614 2.840 1.00 74.34 H new ATOM 0 HG3 GLN A 123 5.202 -5.303 2.513 1.00 74.34 H new ATOM 0 HE21 GLN A 123 4.577 -2.812 0.811 1.00 13.54 H new ATOM 0 HE22 GLN A 123 3.324 -3.373 -0.301 1.00 13.54 H new ATOM 1896 N GLU A 124 0.550 -3.108 4.157 1.00 45.02 N ATOM 1897 CA GLU A 124 -0.900 -3.253 4.168 1.00 14.31 C ATOM 1898 C GLU A 124 -1.382 -4.000 2.928 1.00 73.01 C ATOM 1899 O GLU A 124 -2.109 -4.988 3.030 1.00 12.41 O ATOM 1900 CB GLU A 124 -1.572 -1.880 4.242 1.00 4.44 C ATOM 1901 CG GLU A 124 -2.876 -1.881 5.021 1.00 32.22 C ATOM 1902 CD GLU A 124 -3.945 -1.024 4.371 1.00 61.20 C ATOM 1903 OE1 GLU A 124 -3.641 0.133 4.012 1.00 74.53 O ATOM 1904 OE2 GLU A 124 -5.085 -1.511 4.221 1.00 32.22 O ATOM 0 H GLU A 124 0.882 -2.213 3.798 1.00 45.02 H new ATOM 0 HA GLU A 124 -1.174 -3.832 5.050 1.00 14.31 H new ATOM 0 HB2 GLU A 124 -0.883 -1.172 4.704 1.00 4.44 H new ATOM 0 HB3 GLU A 124 -1.764 -1.524 3.230 1.00 4.44 H new ATOM 0 HG2 GLU A 124 -3.241 -2.904 5.110 1.00 32.22 H new ATOM 0 HG3 GLU A 124 -2.691 -1.519 6.032 1.00 32.22 H new TER 1911 GLU A 124