USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1063 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 42 ASN : amide:sc= -1.03 K(o=-4.1,f=-12!) USER MOD Set 1.2: A 75 GLN :FLIP amide:sc= -3.03! C(o=-6.8!,f=-4.1!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.107 F(o=-1.5!,f=-0.11) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN :FLIP amide:sc= -4.14! C(o=-5.4!,f=-4.1!) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= -0.0248 (180deg=-0.274) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -117:sc= -1.24 (180deg=-5.24!) USER MOD Single : A 38 THR OG1 : rot -16:sc= 0.301 USER MOD Single : A 41 GLN : amide:sc= -4.99 K(o=-5,f=-9.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.059) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.895 F(o=-2!,f=-0.9) USER MOD Single : A 58 ASN : amide:sc= -1.14 K(o=-1.1,f=-1.7) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.136 F(o=-7.1!,f=-0.14) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.987! C(o=-4.3!,f=-0.99!) USER MOD Single : A 62 GLN :FLIP amide:sc= -3.5 F(o=-6.8!,f=-3.5) USER MOD Single : A 64 ASN : amide:sc= -2.45 K(o=-2.5,f=-8.8!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 180:sc= -1.3 USER MOD Single : A 72 MET CE :methyl -130:sc= -6.5! (180deg=-7.32!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -169:sc= -0.387 (180deg=-0.691) USER MOD Single : A 85 MET CE :methyl 168:sc= -2.21 (180deg=-2.75!) USER MOD Single : A 90 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.249) USER MOD Single : A 101 SER OG : rot -90:sc= -0.0709 USER MOD Single : A 109 MET CE :methyl 171:sc= -2.48 (180deg=-2.65!) USER MOD Single : A 111 ASN : amide:sc= -0.306 K(o=-0.31,f=-3.3!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0442 USER MOD Single : A 124 MET CE :methyl 153:sc= -0.0686 (180deg=-0.793) USER MOD Single : A 135 MET CE :methyl -174:sc= -1.7 (180deg=-1.72) USER MOD Single : A 137 ASN : amide:sc= -0.254 K(o=-0.25,f=-3.5!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 MET CE :methyl -137:sc= -0.634 (180deg=-3.42!) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 147 GLN : amide:sc= -0.384 K(o=-0.38,f=-0.98) USER MOD Single : A 148 LYS NZ :NH3+ -166:sc= -0.0172 (180deg=-0.24) USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 3 11.845 -14.082 2.029 1.00 0.87 N ATOM 13 CA GLU A 3 12.019 -14.148 3.477 1.00 0.57 C ATOM 14 C GLU A 3 13.386 -13.596 3.873 1.00 0.48 C ATOM 15 O GLU A 3 14.269 -13.453 3.032 1.00 0.55 O ATOM 16 CB GLU A 3 11.884 -15.596 3.959 1.00 0.70 C ATOM 17 CG GLU A 3 11.712 -15.728 5.464 1.00 1.23 C ATOM 18 CD GLU A 3 10.457 -15.044 5.970 1.00 1.78 C ATOM 19 OE1 GLU A 3 10.522 -13.835 6.277 1.00 2.49 O ATOM 20 OE2 GLU A 3 9.408 -15.717 6.062 1.00 2.20 O ATOM 0 HA GLU A 3 11.244 -13.542 3.947 1.00 0.57 H new ATOM 0 HB2 GLU A 3 11.029 -16.056 3.463 1.00 0.70 H new ATOM 0 HB3 GLU A 3 12.768 -16.155 3.653 1.00 0.70 H new ATOM 0 HG2 GLU A 3 11.678 -16.784 5.731 1.00 1.23 H new ATOM 0 HG3 GLU A 3 12.581 -15.301 5.964 1.00 1.23 H new ATOM 27 N LEU A 4 13.553 -13.282 5.155 1.00 0.44 N ATOM 28 CA LEU A 4 14.820 -12.748 5.649 1.00 0.39 C ATOM 29 C LEU A 4 15.828 -13.869 5.900 1.00 0.37 C ATOM 30 O LEU A 4 16.254 -14.092 7.035 1.00 0.45 O ATOM 31 CB LEU A 4 14.602 -11.938 6.932 1.00 0.47 C ATOM 32 CG LEU A 4 14.115 -10.497 6.732 1.00 0.43 C ATOM 33 CD1 LEU A 4 15.098 -9.708 5.881 1.00 1.12 C ATOM 34 CD2 LEU A 4 12.729 -10.476 6.103 1.00 1.25 C ATOM 0 H LEU A 4 12.831 -13.387 5.868 1.00 0.44 H new ATOM 0 HA LEU A 4 15.225 -12.088 4.882 1.00 0.39 H new ATOM 0 HB2 LEU A 4 13.878 -12.464 7.554 1.00 0.47 H new ATOM 0 HB3 LEU A 4 15.539 -11.912 7.487 1.00 0.47 H new ATOM 0 HG LEU A 4 14.053 -10.024 7.712 1.00 0.43 H new ATOM 0 HD11 LEU A 4 14.732 -8.689 5.752 1.00 1.12 H new ATOM 0 HD12 LEU A 4 16.070 -9.685 6.374 1.00 1.12 H new ATOM 0 HD13 LEU A 4 15.198 -10.183 4.905 1.00 1.12 H new ATOM 0 HD21 LEU A 4 12.405 -9.444 5.971 1.00 1.25 H new ATOM 0 HD22 LEU A 4 12.762 -10.973 5.133 1.00 1.25 H new ATOM 0 HD23 LEU A 4 12.026 -10.996 6.754 1.00 1.25 H new ATOM 46 N THR A 5 16.204 -14.569 4.834 1.00 0.35 N ATOM 47 CA THR A 5 17.169 -15.659 4.932 1.00 0.37 C ATOM 48 C THR A 5 18.588 -15.130 4.739 1.00 0.35 C ATOM 49 O THR A 5 18.778 -14.063 4.168 1.00 0.39 O ATOM 50 CB THR A 5 16.883 -16.757 3.886 1.00 0.40 C ATOM 51 OG1 THR A 5 15.534 -17.218 4.021 1.00 0.46 O ATOM 52 CG2 THR A 5 17.839 -17.932 4.045 1.00 0.47 C ATOM 0 H THR A 5 15.854 -14.400 3.891 1.00 0.35 H new ATOM 0 HA THR A 5 17.075 -16.095 5.927 1.00 0.37 H new ATOM 0 HB THR A 5 17.029 -16.326 2.896 1.00 0.40 H new ATOM 0 HG1 THR A 5 15.358 -17.914 3.353 1.00 0.46 H new ATOM 0 HG21 THR A 5 17.613 -18.689 3.294 1.00 0.47 H new ATOM 0 HG22 THR A 5 18.865 -17.587 3.915 1.00 0.47 H new ATOM 0 HG23 THR A 5 17.725 -18.362 5.040 1.00 0.47 H new ATOM 60 N GLU A 6 19.578 -15.876 5.218 1.00 0.36 N ATOM 61 CA GLU A 6 20.979 -15.470 5.104 1.00 0.37 C ATOM 62 C GLU A 6 21.301 -14.896 3.722 1.00 0.33 C ATOM 63 O GLU A 6 21.912 -13.831 3.609 1.00 0.34 O ATOM 64 CB GLU A 6 21.894 -16.660 5.398 1.00 0.45 C ATOM 65 CG GLU A 6 21.619 -17.877 4.530 1.00 0.87 C ATOM 66 CD GLU A 6 22.572 -19.021 4.813 1.00 0.98 C ATOM 67 OE1 GLU A 6 23.682 -19.025 4.241 1.00 1.20 O ATOM 68 OE2 GLU A 6 22.207 -19.914 5.607 1.00 1.17 O ATOM 0 H GLU A 6 19.438 -16.769 5.691 1.00 0.36 H new ATOM 0 HA GLU A 6 21.152 -14.682 5.837 1.00 0.37 H new ATOM 0 HB2 GLU A 6 22.930 -16.352 5.258 1.00 0.45 H new ATOM 0 HB3 GLU A 6 21.784 -16.941 6.446 1.00 0.45 H new ATOM 0 HG2 GLU A 6 20.595 -18.213 4.695 1.00 0.87 H new ATOM 0 HG3 GLU A 6 21.697 -17.595 3.480 1.00 0.87 H new ATOM 75 N GLU A 7 20.878 -15.600 2.678 1.00 0.34 N ATOM 76 CA GLU A 7 21.131 -15.176 1.305 1.00 0.35 C ATOM 77 C GLU A 7 20.325 -13.931 0.948 1.00 0.30 C ATOM 78 O GLU A 7 20.863 -12.974 0.394 1.00 0.30 O ATOM 79 CB GLU A 7 20.798 -16.312 0.336 1.00 0.44 C ATOM 80 CG GLU A 7 19.386 -16.854 0.487 1.00 0.47 C ATOM 81 CD GLU A 7 19.078 -17.964 -0.499 1.00 0.57 C ATOM 82 OE1 GLU A 7 18.667 -17.650 -1.636 1.00 0.64 O ATOM 83 OE2 GLU A 7 19.248 -19.146 -0.134 1.00 0.61 O ATOM 0 H GLU A 7 20.355 -16.472 2.757 1.00 0.34 H new ATOM 0 HA GLU A 7 22.189 -14.926 1.220 1.00 0.35 H new ATOM 0 HB2 GLU A 7 20.933 -15.957 -0.686 1.00 0.44 H new ATOM 0 HB3 GLU A 7 21.507 -17.126 0.487 1.00 0.44 H new ATOM 0 HG2 GLU A 7 19.251 -17.227 1.502 1.00 0.47 H new ATOM 0 HG3 GLU A 7 18.672 -16.042 0.348 1.00 0.47 H new ATOM 90 N GLN A 8 19.036 -13.953 1.264 1.00 0.30 N ATOM 91 CA GLN A 8 18.155 -12.826 0.977 1.00 0.30 C ATOM 92 C GLN A 8 18.657 -11.555 1.653 1.00 0.25 C ATOM 93 O GLN A 8 18.768 -10.506 1.020 1.00 0.24 O ATOM 94 CB GLN A 8 16.736 -13.142 1.446 1.00 0.35 C ATOM 95 CG GLN A 8 15.983 -14.082 0.517 1.00 0.45 C ATOM 96 CD GLN A 8 15.669 -13.452 -0.826 1.00 0.72 C ATOM 97 OE1 GLN A 8 15.461 -12.139 -0.831 1.00 1.32 O flip ATOM 98 NE2 GLN A 8 15.612 -14.136 -1.848 1.00 1.02 N flip ATOM 0 H GLN A 8 18.576 -14.741 1.720 1.00 0.30 H new ATOM 0 HA GLN A 8 18.150 -12.660 -0.100 1.00 0.30 H new ATOM 0 HB2 GLN A 8 16.781 -13.586 2.440 1.00 0.35 H new ATOM 0 HB3 GLN A 8 16.177 -12.211 1.538 1.00 0.35 H new ATOM 0 HG2 GLN A 8 16.576 -14.983 0.361 1.00 0.45 H new ATOM 0 HG3 GLN A 8 15.053 -14.391 0.995 1.00 0.45 H new ATOM 0 HE21 GLN A 8 15.779 -15.141 -1.799 1.00 1.02 H new ATOM 0 HE22 GLN A 8 15.398 -13.698 -2.744 1.00 1.02 H new ATOM 107 N ILE A 9 18.962 -11.662 2.942 1.00 0.25 N ATOM 108 CA ILE A 9 19.457 -10.531 3.713 1.00 0.26 C ATOM 109 C ILE A 9 20.662 -9.899 3.034 1.00 0.25 C ATOM 110 O ILE A 9 20.731 -8.682 2.876 1.00 0.27 O ATOM 111 CB ILE A 9 19.843 -10.949 5.148 1.00 0.32 C ATOM 112 CG1 ILE A 9 18.614 -11.472 5.897 1.00 0.37 C ATOM 113 CG2 ILE A 9 20.469 -9.777 5.892 1.00 0.34 C ATOM 114 CD1 ILE A 9 18.929 -12.020 7.273 1.00 0.45 C ATOM 0 H ILE A 9 18.874 -12.527 3.476 1.00 0.25 H new ATOM 0 HA ILE A 9 18.648 -9.803 3.767 1.00 0.26 H new ATOM 0 HB ILE A 9 20.579 -11.751 5.093 1.00 0.32 H new ATOM 0 HG12 ILE A 9 17.888 -10.665 5.994 1.00 0.37 H new ATOM 0 HG13 ILE A 9 18.143 -12.255 5.303 1.00 0.37 H new ATOM 0 HG21 ILE A 9 20.736 -10.088 6.902 1.00 0.34 H new ATOM 0 HG22 ILE A 9 21.365 -9.448 5.365 1.00 0.34 H new ATOM 0 HG23 ILE A 9 19.755 -8.955 5.942 1.00 0.34 H new ATOM 0 HD11 ILE A 9 18.011 -12.372 7.743 1.00 0.45 H new ATOM 0 HD12 ILE A 9 19.631 -12.849 7.183 1.00 0.45 H new ATOM 0 HD13 ILE A 9 19.372 -11.234 7.885 1.00 0.45 H new ATOM 126 N ALA A 10 21.605 -10.739 2.629 1.00 0.26 N ATOM 127 CA ALA A 10 22.814 -10.273 1.967 1.00 0.28 C ATOM 128 C ALA A 10 22.522 -9.803 0.543 1.00 0.24 C ATOM 129 O ALA A 10 23.274 -9.011 -0.028 1.00 0.25 O ATOM 130 CB ALA A 10 23.851 -11.386 1.954 1.00 0.36 C ATOM 0 H ALA A 10 21.555 -11.751 2.748 1.00 0.26 H new ATOM 0 HA ALA A 10 23.204 -9.421 2.523 1.00 0.28 H new ATOM 0 HB1 ALA A 10 24.756 -11.035 1.458 1.00 0.36 H new ATOM 0 HB2 ALA A 10 24.088 -11.675 2.978 1.00 0.36 H new ATOM 0 HB3 ALA A 10 23.454 -12.247 1.417 1.00 0.36 H new ATOM 136 N GLU A 11 21.417 -10.284 -0.019 1.00 0.24 N ATOM 137 CA GLU A 11 21.033 -9.933 -1.383 1.00 0.25 C ATOM 138 C GLU A 11 20.600 -8.471 -1.497 1.00 0.22 C ATOM 139 O GLU A 11 21.169 -7.710 -2.284 1.00 0.22 O ATOM 140 CB GLU A 11 19.906 -10.852 -1.859 1.00 0.31 C ATOM 141 CG GLU A 11 19.484 -10.605 -3.299 1.00 0.40 C ATOM 142 CD GLU A 11 18.344 -11.504 -3.735 1.00 1.06 C ATOM 143 OE1 GLU A 11 17.173 -11.107 -3.556 1.00 1.93 O ATOM 144 OE2 GLU A 11 18.622 -12.607 -4.253 1.00 1.02 O ATOM 0 H GLU A 11 20.771 -10.919 0.450 1.00 0.24 H new ATOM 0 HA GLU A 11 21.909 -10.066 -2.018 1.00 0.25 H new ATOM 0 HB2 GLU A 11 20.226 -11.889 -1.756 1.00 0.31 H new ATOM 0 HB3 GLU A 11 19.042 -10.720 -1.208 1.00 0.31 H new ATOM 0 HG2 GLU A 11 19.184 -9.563 -3.412 1.00 0.40 H new ATOM 0 HG3 GLU A 11 20.339 -10.764 -3.956 1.00 0.40 H new ATOM 151 N PHE A 12 19.605 -8.072 -0.706 1.00 0.21 N ATOM 152 CA PHE A 12 19.122 -6.697 -0.760 1.00 0.23 C ATOM 153 C PHE A 12 20.062 -5.753 -0.025 1.00 0.20 C ATOM 154 O PHE A 12 20.142 -4.570 -0.354 1.00 0.22 O ATOM 155 CB PHE A 12 17.693 -6.581 -0.215 1.00 0.29 C ATOM 156 CG PHE A 12 17.519 -7.009 1.211 1.00 0.27 C ATOM 157 CD1 PHE A 12 17.922 -6.190 2.253 1.00 0.32 C ATOM 158 CD2 PHE A 12 16.928 -8.224 1.509 1.00 0.27 C ATOM 159 CE1 PHE A 12 17.743 -6.579 3.564 1.00 0.36 C ATOM 160 CE2 PHE A 12 16.745 -8.617 2.818 1.00 0.28 C ATOM 161 CZ PHE A 12 17.154 -7.793 3.847 1.00 0.33 C ATOM 0 H PHE A 12 19.126 -8.670 -0.033 1.00 0.21 H new ATOM 0 HA PHE A 12 19.101 -6.401 -1.809 1.00 0.23 H new ATOM 0 HB2 PHE A 12 17.368 -5.545 -0.309 1.00 0.29 H new ATOM 0 HB3 PHE A 12 17.032 -7.181 -0.841 1.00 0.29 H new ATOM 0 HD1 PHE A 12 18.381 -5.237 2.036 1.00 0.32 H new ATOM 0 HD2 PHE A 12 16.606 -8.872 0.707 1.00 0.27 H new ATOM 0 HE1 PHE A 12 18.064 -5.933 4.368 1.00 0.36 H new ATOM 0 HE2 PHE A 12 16.282 -9.568 3.038 1.00 0.28 H new ATOM 0 HZ PHE A 12 17.013 -8.099 4.873 1.00 0.33 H new ATOM 171 N LYS A 13 20.772 -6.273 0.973 1.00 0.18 N ATOM 172 CA LYS A 13 21.722 -5.458 1.716 1.00 0.21 C ATOM 173 C LYS A 13 22.817 -4.981 0.772 1.00 0.19 C ATOM 174 O LYS A 13 23.320 -3.865 0.892 1.00 0.24 O ATOM 175 CB LYS A 13 22.321 -6.248 2.885 1.00 0.26 C ATOM 176 CG LYS A 13 23.580 -5.623 3.473 1.00 0.31 C ATOM 177 CD LYS A 13 23.280 -4.297 4.156 1.00 0.40 C ATOM 178 CE LYS A 13 24.554 -3.591 4.593 1.00 0.68 C ATOM 179 NZ LYS A 13 24.265 -2.352 5.368 1.00 1.53 N ATOM 0 H LYS A 13 20.708 -7.243 1.281 1.00 0.18 H new ATOM 0 HA LYS A 13 21.204 -4.594 2.133 1.00 0.21 H new ATOM 0 HB2 LYS A 13 21.571 -6.339 3.671 1.00 0.26 H new ATOM 0 HB3 LYS A 13 22.553 -7.258 2.547 1.00 0.26 H new ATOM 0 HG2 LYS A 13 24.027 -6.310 4.192 1.00 0.31 H new ATOM 0 HG3 LYS A 13 24.314 -5.468 2.682 1.00 0.31 H new ATOM 0 HD2 LYS A 13 22.723 -3.654 3.475 1.00 0.40 H new ATOM 0 HD3 LYS A 13 22.643 -4.470 5.024 1.00 0.40 H new ATOM 0 HE2 LYS A 13 25.154 -4.268 5.201 1.00 0.68 H new ATOM 0 HE3 LYS A 13 25.149 -3.339 3.715 1.00 0.68 H new ATOM 0 HZ1 LYS A 13 25.159 -1.901 5.647 1.00 1.53 H new ATOM 0 HZ2 LYS A 13 23.714 -1.695 4.779 1.00 1.53 H new ATOM 0 HZ3 LYS A 13 23.719 -2.594 6.219 1.00 1.53 H new ATOM 193 N ASP A 14 23.176 -5.847 -0.172 1.00 0.16 N ATOM 194 CA ASP A 14 24.187 -5.524 -1.165 1.00 0.19 C ATOM 195 C ASP A 14 23.671 -4.446 -2.113 1.00 0.18 C ATOM 196 O ASP A 14 24.294 -3.397 -2.264 1.00 0.20 O ATOM 197 CB ASP A 14 24.576 -6.775 -1.954 1.00 0.23 C ATOM 198 CG ASP A 14 25.637 -6.496 -3.000 1.00 0.30 C ATOM 199 OD1 ASP A 14 25.268 -6.131 -4.136 1.00 0.39 O ATOM 200 OD2 ASP A 14 26.836 -6.639 -2.682 1.00 0.38 O ATOM 0 H ASP A 14 22.777 -6.781 -0.267 1.00 0.16 H new ATOM 0 HA ASP A 14 25.070 -5.146 -0.650 1.00 0.19 H new ATOM 0 HB2 ASP A 14 24.942 -7.536 -1.265 1.00 0.23 H new ATOM 0 HB3 ASP A 14 23.690 -7.184 -2.440 1.00 0.23 H new ATOM 205 N ALA A 15 22.523 -4.702 -2.742 1.00 0.17 N ATOM 206 CA ALA A 15 21.935 -3.734 -3.661 1.00 0.19 C ATOM 207 C ALA A 15 21.731 -2.395 -2.963 1.00 0.20 C ATOM 208 O ALA A 15 21.807 -1.338 -3.588 1.00 0.24 O ATOM 209 CB ALA A 15 20.615 -4.257 -4.207 1.00 0.22 C ATOM 0 H ALA A 15 21.988 -5.564 -2.632 1.00 0.17 H new ATOM 0 HA ALA A 15 22.620 -3.587 -4.496 1.00 0.19 H new ATOM 0 HB1 ALA A 15 20.188 -3.524 -4.891 1.00 0.22 H new ATOM 0 HB2 ALA A 15 20.786 -5.193 -4.739 1.00 0.22 H new ATOM 0 HB3 ALA A 15 19.923 -4.430 -3.383 1.00 0.22 H new ATOM 215 N PHE A 16 21.479 -2.452 -1.657 1.00 0.21 N ATOM 216 CA PHE A 16 21.273 -1.250 -0.858 1.00 0.25 C ATOM 217 C PHE A 16 22.580 -0.478 -0.706 1.00 0.23 C ATOM 218 O PHE A 16 22.618 0.740 -0.880 1.00 0.24 O ATOM 219 CB PHE A 16 20.712 -1.639 0.517 1.00 0.31 C ATOM 220 CG PHE A 16 20.913 -0.599 1.584 1.00 0.35 C ATOM 221 CD1 PHE A 16 20.061 0.489 1.681 1.00 0.43 C ATOM 222 CD2 PHE A 16 21.952 -0.717 2.492 1.00 0.41 C ATOM 223 CE1 PHE A 16 20.244 1.441 2.666 1.00 0.52 C ATOM 224 CE2 PHE A 16 22.140 0.231 3.477 1.00 0.50 C ATOM 225 CZ PHE A 16 21.285 1.312 3.565 1.00 0.54 C ATOM 0 H PHE A 16 21.413 -3.322 -1.129 1.00 0.21 H new ATOM 0 HA PHE A 16 20.557 -0.603 -1.364 1.00 0.25 H new ATOM 0 HB2 PHE A 16 19.645 -1.839 0.418 1.00 0.31 H new ATOM 0 HB3 PHE A 16 21.182 -2.568 0.839 1.00 0.31 H new ATOM 0 HD1 PHE A 16 19.246 0.594 0.980 1.00 0.43 H new ATOM 0 HD2 PHE A 16 22.623 -1.561 2.428 1.00 0.41 H new ATOM 0 HE1 PHE A 16 19.574 2.285 2.733 1.00 0.52 H new ATOM 0 HE2 PHE A 16 22.955 0.128 4.178 1.00 0.50 H new ATOM 0 HZ PHE A 16 21.430 2.055 4.335 1.00 0.54 H new ATOM 235 N VAL A 17 23.646 -1.198 -0.380 1.00 0.23 N ATOM 236 CA VAL A 17 24.957 -0.605 -0.205 1.00 0.24 C ATOM 237 C VAL A 17 25.449 0.023 -1.506 1.00 0.23 C ATOM 238 O VAL A 17 26.196 1.002 -1.498 1.00 0.28 O ATOM 239 CB VAL A 17 25.950 -1.679 0.272 1.00 0.28 C ATOM 240 CG1 VAL A 17 26.817 -2.188 -0.869 1.00 0.90 C ATOM 241 CG2 VAL A 17 26.789 -1.158 1.418 1.00 0.76 C ATOM 0 H VAL A 17 23.622 -2.207 -0.231 1.00 0.23 H new ATOM 0 HA VAL A 17 24.885 0.182 0.545 1.00 0.24 H new ATOM 0 HB VAL A 17 25.374 -2.530 0.636 1.00 0.28 H new ATOM 0 HG11 VAL A 17 27.505 -2.945 -0.493 1.00 0.90 H new ATOM 0 HG12 VAL A 17 26.183 -2.625 -1.641 1.00 0.90 H new ATOM 0 HG13 VAL A 17 27.385 -1.359 -1.292 1.00 0.90 H new ATOM 0 HG21 VAL A 17 27.485 -1.932 1.741 1.00 0.76 H new ATOM 0 HG22 VAL A 17 27.348 -0.281 1.091 1.00 0.76 H new ATOM 0 HG23 VAL A 17 26.139 -0.884 2.249 1.00 0.76 H new ATOM 251 N GLN A 18 25.018 -0.558 -2.618 1.00 0.20 N ATOM 252 CA GLN A 18 25.393 -0.083 -3.942 1.00 0.21 C ATOM 253 C GLN A 18 24.890 1.336 -4.184 1.00 0.21 C ATOM 254 O GLN A 18 25.330 2.006 -5.120 1.00 0.26 O ATOM 255 CB GLN A 18 24.833 -1.027 -4.997 1.00 0.24 C ATOM 256 CG GLN A 18 25.755 -2.191 -5.340 1.00 0.29 C ATOM 257 CD GLN A 18 26.794 -2.498 -4.279 1.00 1.04 C ATOM 258 OE1 GLN A 18 26.549 -3.542 -3.499 1.00 1.86 O flip ATOM 259 NE2 GLN A 18 27.824 -1.828 -4.187 1.00 1.60 N flip ATOM 0 H GLN A 18 24.400 -1.370 -2.627 1.00 0.20 H new ATOM 0 HA GLN A 18 26.481 -0.065 -4.008 1.00 0.21 H new ATOM 0 HB2 GLN A 18 23.880 -1.423 -4.646 1.00 0.24 H new ATOM 0 HB3 GLN A 18 24.628 -0.460 -5.905 1.00 0.24 H new ATOM 0 HG2 GLN A 18 25.149 -3.082 -5.507 1.00 0.29 H new ATOM 0 HG3 GLN A 18 26.265 -1.971 -6.278 1.00 0.29 H new ATOM 0 HE21 GLN A 18 27.972 -1.032 -4.808 1.00 1.60 H new ATOM 0 HE22 GLN A 18 28.529 -2.069 -3.490 1.00 1.60 H new ATOM 268 N PHE A 19 23.967 1.794 -3.342 1.00 0.22 N ATOM 269 CA PHE A 19 23.414 3.136 -3.480 1.00 0.25 C ATOM 270 C PHE A 19 23.920 4.067 -2.381 1.00 0.23 C ATOM 271 O PHE A 19 23.651 5.267 -2.408 1.00 0.32 O ATOM 272 CB PHE A 19 21.885 3.089 -3.465 1.00 0.29 C ATOM 273 CG PHE A 19 21.297 2.453 -4.692 1.00 0.30 C ATOM 274 CD1 PHE A 19 21.331 3.111 -5.911 1.00 0.64 C ATOM 275 CD2 PHE A 19 20.715 1.198 -4.629 1.00 0.44 C ATOM 276 CE1 PHE A 19 20.795 2.529 -7.043 1.00 0.69 C ATOM 277 CE2 PHE A 19 20.178 0.610 -5.757 1.00 0.46 C ATOM 278 CZ PHE A 19 20.218 1.276 -6.966 1.00 0.42 C ATOM 0 H PHE A 19 23.589 1.258 -2.561 1.00 0.22 H new ATOM 0 HA PHE A 19 23.750 3.533 -4.438 1.00 0.25 H new ATOM 0 HB2 PHE A 19 21.554 2.538 -2.585 1.00 0.29 H new ATOM 0 HB3 PHE A 19 21.498 4.104 -3.370 1.00 0.29 H new ATOM 0 HD1 PHE A 19 21.782 4.090 -5.977 1.00 0.64 H new ATOM 0 HD2 PHE A 19 20.681 0.673 -3.686 1.00 0.44 H new ATOM 0 HE1 PHE A 19 20.827 3.053 -7.987 1.00 0.69 H new ATOM 0 HE2 PHE A 19 19.727 -0.369 -5.694 1.00 0.46 H new ATOM 0 HZ PHE A 19 19.799 0.818 -7.850 1.00 0.42 H new ATOM 288 N ASP A 20 24.652 3.514 -1.414 1.00 0.25 N ATOM 289 CA ASP A 20 25.191 4.318 -0.320 1.00 0.24 C ATOM 290 C ASP A 20 26.066 5.446 -0.860 1.00 0.24 C ATOM 291 O ASP A 20 27.221 5.229 -1.228 1.00 0.29 O ATOM 292 CB ASP A 20 25.991 3.439 0.641 1.00 0.28 C ATOM 293 CG ASP A 20 26.658 4.245 1.740 1.00 0.32 C ATOM 294 OD1 ASP A 20 25.974 4.575 2.731 1.00 0.37 O ATOM 295 OD2 ASP A 20 27.863 4.544 1.608 1.00 0.37 O ATOM 0 H ASP A 20 24.883 2.522 -1.366 1.00 0.25 H new ATOM 0 HA ASP A 20 24.357 4.761 0.224 1.00 0.24 H new ATOM 0 HB2 ASP A 20 25.329 2.698 1.088 1.00 0.28 H new ATOM 0 HB3 ASP A 20 26.751 2.892 0.083 1.00 0.28 H new ATOM 300 N LYS A 21 25.506 6.654 -0.901 1.00 0.24 N ATOM 301 CA LYS A 21 26.228 7.817 -1.413 1.00 0.30 C ATOM 302 C LYS A 21 26.889 8.618 -0.293 1.00 0.29 C ATOM 303 O LYS A 21 28.114 8.725 -0.239 1.00 0.33 O ATOM 304 CB LYS A 21 25.279 8.720 -2.202 1.00 0.36 C ATOM 305 CG LYS A 21 24.854 8.133 -3.539 1.00 0.90 C ATOM 306 CD LYS A 21 25.993 8.154 -4.546 1.00 1.04 C ATOM 307 CE LYS A 21 25.594 7.489 -5.853 1.00 1.70 C ATOM 308 NZ LYS A 21 25.278 6.046 -5.666 1.00 2.47 N ATOM 0 H LYS A 21 24.556 6.852 -0.586 1.00 0.24 H new ATOM 0 HA LYS A 21 27.016 7.448 -2.069 1.00 0.30 H new ATOM 0 HB2 LYS A 21 24.391 8.914 -1.601 1.00 0.36 H new ATOM 0 HB3 LYS A 21 25.764 9.681 -2.374 1.00 0.36 H new ATOM 0 HG2 LYS A 21 24.513 7.108 -3.395 1.00 0.90 H new ATOM 0 HG3 LYS A 21 24.009 8.697 -3.933 1.00 0.90 H new ATOM 0 HD2 LYS A 21 26.292 9.185 -4.737 1.00 1.04 H new ATOM 0 HD3 LYS A 21 26.860 7.643 -4.127 1.00 1.04 H new ATOM 0 HE2 LYS A 21 24.726 8.000 -6.271 1.00 1.70 H new ATOM 0 HE3 LYS A 21 26.403 7.593 -6.576 1.00 1.70 H new ATOM 0 HZ1 LYS A 21 25.260 5.572 -6.591 1.00 2.47 H new ATOM 0 HZ2 LYS A 21 26.005 5.606 -5.066 1.00 2.47 H new ATOM 0 HZ3 LYS A 21 24.348 5.950 -5.210 1.00 2.47 H new ATOM 322 N GLU A 22 26.070 9.184 0.589 1.00 0.27 N ATOM 323 CA GLU A 22 26.572 9.991 1.700 1.00 0.29 C ATOM 324 C GLU A 22 27.703 9.286 2.440 1.00 0.31 C ATOM 325 O GLU A 22 28.746 9.883 2.708 1.00 0.41 O ATOM 326 CB GLU A 22 25.440 10.318 2.677 1.00 0.31 C ATOM 327 CG GLU A 22 24.297 11.094 2.045 1.00 0.35 C ATOM 328 CD GLU A 22 24.732 12.450 1.520 1.00 0.51 C ATOM 329 OE1 GLU A 22 24.762 13.412 2.315 1.00 0.93 O ATOM 330 OE2 GLU A 22 25.044 12.546 0.315 1.00 0.44 O ATOM 0 H GLU A 22 25.054 9.099 0.557 1.00 0.27 H new ATOM 0 HA GLU A 22 26.966 10.916 1.280 1.00 0.29 H new ATOM 0 HB2 GLU A 22 25.051 9.389 3.093 1.00 0.31 H new ATOM 0 HB3 GLU A 22 25.844 10.895 3.508 1.00 0.31 H new ATOM 0 HG2 GLU A 22 23.875 10.510 1.227 1.00 0.35 H new ATOM 0 HG3 GLU A 22 23.505 11.231 2.781 1.00 0.35 H new ATOM 337 N GLY A 23 27.492 8.017 2.769 1.00 0.31 N ATOM 338 CA GLY A 23 28.506 7.258 3.478 1.00 0.34 C ATOM 339 C GLY A 23 28.094 6.946 4.901 1.00 0.34 C ATOM 340 O GLY A 23 28.778 6.203 5.607 1.00 0.39 O ATOM 0 H GLY A 23 26.638 7.500 2.558 1.00 0.31 H new ATOM 0 HA2 GLY A 23 28.700 6.327 2.945 1.00 0.34 H new ATOM 0 HA3 GLY A 23 29.439 7.821 3.487 1.00 0.34 H new ATOM 344 N THR A 24 26.971 7.517 5.319 1.00 0.34 N ATOM 345 CA THR A 24 26.449 7.302 6.662 1.00 0.38 C ATOM 346 C THR A 24 25.697 5.979 6.746 1.00 0.36 C ATOM 347 O THR A 24 24.743 5.844 7.514 1.00 0.40 O ATOM 348 CB THR A 24 25.498 8.443 7.073 1.00 0.41 C ATOM 349 OG1 THR A 24 24.441 8.568 6.113 1.00 1.23 O ATOM 350 CG2 THR A 24 26.248 9.762 7.180 1.00 1.39 C ATOM 0 H THR A 24 26.401 8.136 4.743 1.00 0.34 H new ATOM 0 HA THR A 24 27.301 7.279 7.342 1.00 0.38 H new ATOM 0 HB THR A 24 25.078 8.202 8.049 1.00 0.41 H new ATOM 0 HG1 THR A 24 23.840 9.294 6.381 1.00 1.23 H new ATOM 0 HG21 THR A 24 25.555 10.552 7.471 1.00 1.39 H new ATOM 0 HG22 THR A 24 27.034 9.674 7.930 1.00 1.39 H new ATOM 0 HG23 THR A 24 26.693 10.007 6.215 1.00 1.39 H new ATOM 358 N GLY A 25 26.133 5.002 5.955 1.00 0.34 N ATOM 359 CA GLY A 25 25.474 3.711 5.944 1.00 0.37 C ATOM 360 C GLY A 25 24.048 3.819 5.445 1.00 0.31 C ATOM 361 O GLY A 25 23.290 2.850 5.478 1.00 0.36 O ATOM 0 H GLY A 25 26.930 5.083 5.323 1.00 0.34 H new ATOM 0 HA2 GLY A 25 26.031 3.022 5.309 1.00 0.37 H new ATOM 0 HA3 GLY A 25 25.478 3.291 6.950 1.00 0.37 H new ATOM 365 N LYS A 26 23.690 5.013 4.979 1.00 0.27 N ATOM 366 CA LYS A 26 22.352 5.275 4.474 1.00 0.23 C ATOM 367 C LYS A 26 22.386 5.669 3.003 1.00 0.21 C ATOM 368 O LYS A 26 23.399 6.160 2.503 1.00 0.24 O ATOM 369 CB LYS A 26 21.693 6.385 5.292 1.00 0.25 C ATOM 370 CG LYS A 26 21.499 6.028 6.757 1.00 0.29 C ATOM 371 CD LYS A 26 21.857 7.188 7.678 1.00 0.51 C ATOM 372 CE LYS A 26 21.108 8.458 7.303 1.00 0.89 C ATOM 373 NZ LYS A 26 21.350 9.556 8.277 1.00 1.58 N ATOM 0 H LYS A 26 24.316 5.818 4.942 1.00 0.27 H new ATOM 0 HA LYS A 26 21.770 4.358 4.569 1.00 0.23 H new ATOM 0 HB2 LYS A 26 22.303 7.286 5.224 1.00 0.25 H new ATOM 0 HB3 LYS A 26 20.724 6.622 4.853 1.00 0.25 H new ATOM 0 HG2 LYS A 26 20.462 5.738 6.925 1.00 0.29 H new ATOM 0 HG3 LYS A 26 22.116 5.164 7.005 1.00 0.29 H new ATOM 0 HD2 LYS A 26 21.624 6.919 8.708 1.00 0.51 H new ATOM 0 HD3 LYS A 26 22.930 7.372 7.631 1.00 0.51 H new ATOM 0 HE2 LYS A 26 21.417 8.781 6.309 1.00 0.89 H new ATOM 0 HE3 LYS A 26 20.040 8.247 7.252 1.00 0.89 H new ATOM 0 HZ1 LYS A 26 20.821 10.402 7.984 1.00 1.58 H new ATOM 0 HZ2 LYS A 26 21.032 9.259 9.221 1.00 1.58 H new ATOM 0 HZ3 LYS A 26 22.366 9.776 8.307 1.00 1.58 H new ATOM 387 N ILE A 27 21.270 5.451 2.313 1.00 0.19 N ATOM 388 CA ILE A 27 21.171 5.786 0.897 1.00 0.20 C ATOM 389 C ILE A 27 20.085 6.825 0.660 1.00 0.19 C ATOM 390 O ILE A 27 19.102 6.891 1.397 1.00 0.23 O ATOM 391 CB ILE A 27 20.873 4.541 0.041 1.00 0.23 C ATOM 392 CG1 ILE A 27 19.442 4.053 0.266 1.00 0.26 C ATOM 393 CG2 ILE A 27 21.862 3.434 0.361 1.00 0.25 C ATOM 394 CD1 ILE A 27 18.674 3.859 -1.019 1.00 0.54 C ATOM 0 H ILE A 27 20.423 5.045 2.711 1.00 0.19 H new ATOM 0 HA ILE A 27 22.136 6.195 0.599 1.00 0.20 H new ATOM 0 HB ILE A 27 20.978 4.816 -1.008 1.00 0.23 H new ATOM 0 HG12 ILE A 27 19.468 3.110 0.813 1.00 0.26 H new ATOM 0 HG13 ILE A 27 18.914 4.771 0.893 1.00 0.26 H new ATOM 0 HG21 ILE A 27 21.640 2.560 -0.251 1.00 0.25 H new ATOM 0 HG22 ILE A 27 22.874 3.778 0.149 1.00 0.25 H new ATOM 0 HG23 ILE A 27 21.782 3.169 1.415 1.00 0.25 H new ATOM 0 HD11 ILE A 27 17.666 3.512 -0.792 1.00 0.54 H new ATOM 0 HD12 ILE A 27 18.619 4.806 -1.557 1.00 0.54 H new ATOM 0 HD13 ILE A 27 19.181 3.119 -1.638 1.00 0.54 H new ATOM 406 N ALA A 28 20.265 7.637 -0.374 1.00 0.23 N ATOM 407 CA ALA A 28 19.300 8.677 -0.692 1.00 0.25 C ATOM 408 C ALA A 28 17.964 8.078 -1.117 1.00 0.25 C ATOM 409 O ALA A 28 17.916 7.127 -1.897 1.00 0.28 O ATOM 410 CB ALA A 28 19.844 9.590 -1.780 1.00 0.31 C ATOM 0 H ALA A 28 21.067 7.595 -1.003 1.00 0.23 H new ATOM 0 HA ALA A 28 19.131 9.267 0.209 1.00 0.25 H new ATOM 0 HB1 ALA A 28 19.110 10.363 -2.007 1.00 0.31 H new ATOM 0 HB2 ALA A 28 20.767 10.056 -1.436 1.00 0.31 H new ATOM 0 HB3 ALA A 28 20.045 9.006 -2.678 1.00 0.31 H new ATOM 416 N THR A 29 16.880 8.643 -0.589 1.00 0.28 N ATOM 417 CA THR A 29 15.534 8.177 -0.903 1.00 0.31 C ATOM 418 C THR A 29 15.253 8.251 -2.399 1.00 0.32 C ATOM 419 O THR A 29 14.374 7.557 -2.909 1.00 0.34 O ATOM 420 CB THR A 29 14.467 8.998 -0.157 1.00 0.39 C ATOM 421 OG1 THR A 29 14.572 10.381 -0.518 1.00 0.40 O ATOM 422 CG2 THR A 29 14.626 8.847 1.347 1.00 0.43 C ATOM 0 H THR A 29 16.910 9.428 0.061 1.00 0.28 H new ATOM 0 HA THR A 29 15.482 7.138 -0.578 1.00 0.31 H new ATOM 0 HB THR A 29 13.484 8.623 -0.442 1.00 0.39 H new ATOM 0 HG1 THR A 29 13.889 10.896 -0.041 1.00 0.40 H new ATOM 0 HG21 THR A 29 13.862 9.436 1.855 1.00 0.43 H new ATOM 0 HG22 THR A 29 14.517 7.798 1.621 1.00 0.43 H new ATOM 0 HG23 THR A 29 15.613 9.199 1.646 1.00 0.43 H new ATOM 430 N ARG A 30 16.001 9.101 -3.097 1.00 0.35 N ATOM 431 CA ARG A 30 15.837 9.259 -4.537 1.00 0.40 C ATOM 432 C ARG A 30 16.379 8.038 -5.273 1.00 0.40 C ATOM 433 O ARG A 30 16.390 7.995 -6.504 1.00 0.52 O ATOM 434 CB ARG A 30 16.560 10.517 -5.022 1.00 0.46 C ATOM 435 CG ARG A 30 16.037 11.802 -4.401 1.00 0.50 C ATOM 436 CD ARG A 30 16.808 13.011 -4.904 1.00 0.73 C ATOM 437 NE ARG A 30 16.310 14.258 -4.331 1.00 1.71 N ATOM 438 CZ ARG A 30 16.838 15.451 -4.589 1.00 2.26 C ATOM 439 NH1 ARG A 30 17.877 15.558 -5.407 1.00 2.04 N ATOM 440 NH2 ARG A 30 16.326 16.539 -4.030 1.00 3.39 N ATOM 0 H ARG A 30 16.726 9.690 -2.688 1.00 0.35 H new ATOM 0 HA ARG A 30 14.773 9.357 -4.750 1.00 0.40 H new ATOM 0 HB2 ARG A 30 17.623 10.423 -4.799 1.00 0.46 H new ATOM 0 HB3 ARG A 30 16.466 10.584 -6.106 1.00 0.46 H new ATOM 0 HG2 ARG A 30 14.979 11.918 -4.637 1.00 0.50 H new ATOM 0 HG3 ARG A 30 16.117 11.743 -3.316 1.00 0.50 H new ATOM 0 HD2 ARG A 30 17.863 12.895 -4.657 1.00 0.73 H new ATOM 0 HD3 ARG A 30 16.738 13.059 -5.991 1.00 0.73 H new ATOM 0 HE ARG A 30 15.512 14.212 -3.697 1.00 1.71 H new ATOM 0 HH11 ARG A 30 18.273 14.724 -5.840 1.00 2.04 H new ATOM 0 HH12 ARG A 30 18.280 16.474 -5.603 1.00 2.04 H new ATOM 0 HH21 ARG A 30 15.526 16.461 -3.401 1.00 3.39 H new ATOM 0 HH22 ARG A 30 16.732 17.454 -4.229 1.00 3.39 H new ATOM 454 N GLU A 31 16.829 7.050 -4.507 1.00 0.33 N ATOM 455 CA GLU A 31 17.378 5.826 -5.075 1.00 0.36 C ATOM 456 C GLU A 31 16.562 4.610 -4.645 1.00 0.31 C ATOM 457 O GLU A 31 16.684 3.535 -5.232 1.00 0.33 O ATOM 458 CB GLU A 31 18.834 5.651 -4.640 1.00 0.42 C ATOM 459 CG GLU A 31 19.602 6.959 -4.540 1.00 0.52 C ATOM 460 CD GLU A 31 21.068 6.752 -4.216 1.00 1.10 C ATOM 461 OE1 GLU A 31 21.406 6.680 -3.015 1.00 2.01 O ATOM 462 OE2 GLU A 31 21.877 6.659 -5.162 1.00 1.12 O ATOM 0 H GLU A 31 16.824 7.074 -3.487 1.00 0.33 H new ATOM 0 HA GLU A 31 17.332 5.907 -6.161 1.00 0.36 H new ATOM 0 HB2 GLU A 31 18.857 5.151 -3.672 1.00 0.42 H new ATOM 0 HB3 GLU A 31 19.340 4.996 -5.349 1.00 0.42 H new ATOM 0 HG2 GLU A 31 19.515 7.500 -5.482 1.00 0.52 H new ATOM 0 HG3 GLU A 31 19.149 7.584 -3.771 1.00 0.52 H new ATOM 469 N LEU A 32 15.734 4.783 -3.616 1.00 0.31 N ATOM 470 CA LEU A 32 14.906 3.689 -3.117 1.00 0.33 C ATOM 471 C LEU A 32 14.045 3.106 -4.231 1.00 0.29 C ATOM 472 O LEU A 32 13.990 1.890 -4.408 1.00 0.29 O ATOM 473 CB LEU A 32 14.016 4.155 -1.961 1.00 0.40 C ATOM 474 CG LEU A 32 13.755 3.105 -0.871 1.00 0.57 C ATOM 475 CD1 LEU A 32 12.669 3.581 0.077 1.00 1.39 C ATOM 476 CD2 LEU A 32 13.374 1.762 -1.478 1.00 1.39 C ATOM 0 H LEU A 32 15.620 5.664 -3.115 1.00 0.31 H new ATOM 0 HA LEU A 32 15.576 2.912 -2.749 1.00 0.33 H new ATOM 0 HB2 LEU A 32 14.476 5.028 -1.499 1.00 0.40 H new ATOM 0 HB3 LEU A 32 13.058 4.478 -2.369 1.00 0.40 H new ATOM 0 HG LEU A 32 14.679 2.971 -0.309 1.00 0.57 H new ATOM 0 HD11 LEU A 32 12.497 2.825 0.843 1.00 1.39 H new ATOM 0 HD12 LEU A 32 12.981 4.512 0.550 1.00 1.39 H new ATOM 0 HD13 LEU A 32 11.747 3.749 -0.480 1.00 1.39 H new ATOM 0 HD21 LEU A 32 13.196 1.040 -0.681 1.00 1.39 H new ATOM 0 HD22 LEU A 32 12.468 1.876 -2.074 1.00 1.39 H new ATOM 0 HD23 LEU A 32 14.185 1.407 -2.114 1.00 1.39 H new ATOM 488 N GLY A 33 13.364 3.975 -4.975 1.00 0.33 N ATOM 489 CA GLY A 33 12.527 3.507 -6.065 1.00 0.35 C ATOM 490 C GLY A 33 13.300 2.611 -7.012 1.00 0.33 C ATOM 491 O GLY A 33 12.742 1.684 -7.599 1.00 0.41 O ATOM 0 H GLY A 33 13.377 4.986 -4.843 1.00 0.33 H new ATOM 0 HA2 GLY A 33 11.673 2.962 -5.662 1.00 0.35 H new ATOM 0 HA3 GLY A 33 12.130 4.361 -6.613 1.00 0.35 H new ATOM 495 N THR A 34 14.593 2.892 -7.153 1.00 0.30 N ATOM 496 CA THR A 34 15.459 2.097 -8.013 1.00 0.31 C ATOM 497 C THR A 34 15.670 0.719 -7.397 1.00 0.27 C ATOM 498 O THR A 34 15.809 -0.276 -8.106 1.00 0.30 O ATOM 499 CB THR A 34 16.826 2.777 -8.224 1.00 0.37 C ATOM 500 OG1 THR A 34 16.639 4.111 -8.712 1.00 0.42 O ATOM 501 CG2 THR A 34 17.678 1.990 -9.211 1.00 0.41 C ATOM 0 H THR A 34 15.062 3.665 -6.682 1.00 0.30 H new ATOM 0 HA THR A 34 14.972 2.003 -8.983 1.00 0.31 H new ATOM 0 HB THR A 34 17.342 2.807 -7.264 1.00 0.37 H new ATOM 0 HG1 THR A 34 17.512 4.537 -8.842 1.00 0.42 H new ATOM 0 HG21 THR A 34 18.637 2.490 -9.343 1.00 0.41 H new ATOM 0 HG22 THR A 34 17.843 0.983 -8.827 1.00 0.41 H new ATOM 0 HG23 THR A 34 17.164 1.932 -10.170 1.00 0.41 H new ATOM 509 N LEU A 35 15.693 0.677 -6.067 1.00 0.27 N ATOM 510 CA LEU A 35 15.860 -0.568 -5.338 1.00 0.30 C ATOM 511 C LEU A 35 14.597 -1.412 -5.450 1.00 0.31 C ATOM 512 O LEU A 35 14.650 -2.640 -5.437 1.00 0.37 O ATOM 513 CB LEU A 35 16.149 -0.274 -3.865 1.00 0.35 C ATOM 514 CG LEU A 35 17.627 -0.242 -3.470 1.00 0.50 C ATOM 515 CD1 LEU A 35 17.776 0.171 -2.013 1.00 1.23 C ATOM 516 CD2 LEU A 35 18.275 -1.599 -3.706 1.00 1.25 C ATOM 0 H LEU A 35 15.597 1.500 -5.472 1.00 0.27 H new ATOM 0 HA LEU A 35 16.698 -1.117 -5.768 1.00 0.30 H new ATOM 0 HB2 LEU A 35 15.704 0.688 -3.612 1.00 0.35 H new ATOM 0 HB3 LEU A 35 15.646 -1.027 -3.258 1.00 0.35 H new ATOM 0 HG LEU A 35 18.134 0.493 -4.094 1.00 0.50 H new ATOM 0 HD11 LEU A 35 18.833 0.189 -1.746 1.00 1.23 H new ATOM 0 HD12 LEU A 35 17.349 1.164 -1.871 1.00 1.23 H new ATOM 0 HD13 LEU A 35 17.254 -0.544 -1.377 1.00 1.23 H new ATOM 0 HD21 LEU A 35 19.326 -1.555 -3.419 1.00 1.25 H new ATOM 0 HD22 LEU A 35 17.766 -2.354 -3.107 1.00 1.25 H new ATOM 0 HD23 LEU A 35 18.198 -1.860 -4.761 1.00 1.25 H new ATOM 528 N MET A 36 13.463 -0.731 -5.566 1.00 0.35 N ATOM 529 CA MET A 36 12.167 -1.389 -5.674 1.00 0.43 C ATOM 530 C MET A 36 12.007 -2.092 -7.014 1.00 0.43 C ATOM 531 O MET A 36 11.434 -3.178 -7.092 1.00 0.54 O ATOM 532 CB MET A 36 11.049 -0.360 -5.492 1.00 0.56 C ATOM 533 CG MET A 36 10.976 0.213 -4.087 1.00 0.59 C ATOM 534 SD MET A 36 10.367 -0.993 -2.897 1.00 1.21 S ATOM 535 CE MET A 36 10.373 -0.031 -1.395 1.00 0.72 C ATOM 0 H MET A 36 13.416 0.288 -5.588 1.00 0.35 H new ATOM 0 HA MET A 36 12.106 -2.144 -4.890 1.00 0.43 H new ATOM 0 HB2 MET A 36 11.197 0.455 -6.201 1.00 0.56 H new ATOM 0 HB3 MET A 36 10.094 -0.826 -5.736 1.00 0.56 H new ATOM 0 HG2 MET A 36 11.965 0.554 -3.783 1.00 0.59 H new ATOM 0 HG3 MET A 36 10.323 1.086 -4.085 1.00 0.59 H new ATOM 0 HE1 MET A 36 11.072 -0.471 -0.684 1.00 0.72 H new ATOM 0 HE2 MET A 36 10.678 0.991 -1.619 1.00 0.72 H new ATOM 0 HE3 MET A 36 9.372 -0.025 -0.963 1.00 0.72 H new ATOM 545 N ARG A 37 12.509 -1.464 -8.069 1.00 0.42 N ATOM 546 CA ARG A 37 12.407 -2.033 -9.410 1.00 0.47 C ATOM 547 C ARG A 37 13.428 -3.150 -9.635 1.00 0.43 C ATOM 548 O ARG A 37 13.132 -4.137 -10.307 1.00 0.47 O ATOM 549 CB ARG A 37 12.578 -0.945 -10.472 1.00 0.55 C ATOM 550 CG ARG A 37 13.957 -0.308 -10.487 1.00 0.95 C ATOM 551 CD ARG A 37 14.097 0.680 -11.631 1.00 1.20 C ATOM 552 NE ARG A 37 15.428 1.280 -11.679 1.00 1.99 N ATOM 553 CZ ARG A 37 15.956 1.819 -12.775 1.00 2.52 C ATOM 554 NH1 ARG A 37 15.272 1.825 -13.912 1.00 2.46 N ATOM 555 NH2 ARG A 37 17.170 2.350 -12.735 1.00 3.51 N ATOM 0 H ARG A 37 12.989 -0.565 -8.025 1.00 0.42 H new ATOM 0 HA ARG A 37 11.412 -2.468 -9.500 1.00 0.47 H new ATOM 0 HB2 ARG A 37 12.377 -1.375 -11.453 1.00 0.55 H new ATOM 0 HB3 ARG A 37 11.832 -0.168 -10.305 1.00 0.55 H new ATOM 0 HG2 ARG A 37 14.135 0.202 -9.540 1.00 0.95 H new ATOM 0 HG3 ARG A 37 14.717 -1.084 -10.579 1.00 0.95 H new ATOM 0 HD2 ARG A 37 13.894 0.173 -12.574 1.00 1.20 H new ATOM 0 HD3 ARG A 37 13.349 1.466 -11.524 1.00 1.20 H new ATOM 0 HE ARG A 37 15.984 1.286 -10.824 1.00 1.99 H new ATOM 0 HH11 ARG A 37 14.338 1.416 -13.948 1.00 2.46 H new ATOM 0 HH12 ARG A 37 15.680 2.239 -14.750 1.00 2.46 H new ATOM 0 HH21 ARG A 37 17.700 2.346 -11.864 1.00 3.51 H new ATOM 0 HH22 ARG A 37 17.574 2.763 -13.576 1.00 3.51 H new ATOM 569 N THR A 38 14.627 -2.996 -9.075 1.00 0.39 N ATOM 570 CA THR A 38 15.671 -4.008 -9.239 1.00 0.39 C ATOM 571 C THR A 38 15.436 -5.209 -8.322 1.00 0.36 C ATOM 572 O THR A 38 16.022 -6.273 -8.519 1.00 0.39 O ATOM 573 CB THR A 38 17.079 -3.431 -8.984 1.00 0.40 C ATOM 574 OG1 THR A 38 18.067 -4.450 -9.175 1.00 0.46 O ATOM 575 CG2 THR A 38 17.197 -2.864 -7.579 1.00 0.32 C ATOM 0 H THR A 38 14.898 -2.191 -8.510 1.00 0.39 H new ATOM 0 HA THR A 38 15.617 -4.339 -10.276 1.00 0.39 H new ATOM 0 HB THR A 38 17.244 -2.622 -9.695 1.00 0.40 H new ATOM 0 HG1 THR A 38 17.635 -5.330 -9.168 1.00 0.46 H new ATOM 0 HG21 THR A 38 18.201 -2.465 -7.431 1.00 0.32 H new ATOM 0 HG22 THR A 38 16.466 -2.066 -7.446 1.00 0.32 H new ATOM 0 HG23 THR A 38 17.009 -3.653 -6.851 1.00 0.32 H new ATOM 583 N LEU A 39 14.577 -5.030 -7.323 1.00 0.33 N ATOM 584 CA LEU A 39 14.249 -6.101 -6.385 1.00 0.34 C ATOM 585 C LEU A 39 12.780 -6.498 -6.521 1.00 0.40 C ATOM 586 O LEU A 39 11.959 -5.720 -7.002 1.00 0.43 O ATOM 587 CB LEU A 39 14.550 -5.686 -4.944 1.00 0.32 C ATOM 588 CG LEU A 39 15.977 -5.967 -4.466 1.00 0.44 C ATOM 589 CD1 LEU A 39 16.975 -5.029 -5.125 1.00 1.05 C ATOM 590 CD2 LEU A 39 16.059 -5.850 -2.957 1.00 1.15 C ATOM 0 H LEU A 39 14.093 -4.151 -7.141 1.00 0.33 H new ATOM 0 HA LEU A 39 14.873 -6.961 -6.629 1.00 0.34 H new ATOM 0 HB2 LEU A 39 14.354 -4.619 -4.842 1.00 0.32 H new ATOM 0 HB3 LEU A 39 13.855 -6.202 -4.282 1.00 0.32 H new ATOM 0 HG LEU A 39 16.234 -6.986 -4.756 1.00 0.44 H new ATOM 0 HD11 LEU A 39 17.979 -5.254 -4.765 1.00 1.05 H new ATOM 0 HD12 LEU A 39 16.939 -5.161 -6.206 1.00 1.05 H new ATOM 0 HD13 LEU A 39 16.723 -3.998 -4.877 1.00 1.05 H new ATOM 0 HD21 LEU A 39 17.079 -6.052 -2.631 1.00 1.15 H new ATOM 0 HD22 LEU A 39 15.775 -4.842 -2.654 1.00 1.15 H new ATOM 0 HD23 LEU A 39 15.382 -6.571 -2.499 1.00 1.15 H new ATOM 602 N GLY A 40 12.467 -7.724 -6.103 1.00 0.45 N ATOM 603 CA GLY A 40 11.104 -8.230 -6.192 1.00 0.52 C ATOM 604 C GLY A 40 10.061 -7.311 -5.573 1.00 0.49 C ATOM 605 O GLY A 40 8.862 -7.551 -5.718 1.00 0.64 O ATOM 0 H GLY A 40 13.137 -8.380 -5.702 1.00 0.45 H new ATOM 0 HA2 GLY A 40 10.855 -8.391 -7.241 1.00 0.52 H new ATOM 0 HA3 GLY A 40 11.055 -9.201 -5.700 1.00 0.52 H new ATOM 609 N GLN A 41 10.508 -6.268 -4.877 1.00 0.46 N ATOM 610 CA GLN A 41 9.593 -5.314 -4.253 1.00 0.44 C ATOM 611 C GLN A 41 8.606 -4.748 -5.274 1.00 0.48 C ATOM 612 O GLN A 41 8.767 -4.943 -6.479 1.00 1.01 O ATOM 613 CB GLN A 41 10.377 -4.167 -3.618 1.00 0.48 C ATOM 614 CG GLN A 41 10.862 -4.444 -2.203 1.00 0.54 C ATOM 615 CD GLN A 41 11.904 -3.445 -1.752 1.00 1.55 C ATOM 616 OE1 GLN A 41 12.685 -2.947 -2.560 1.00 2.37 O ATOM 617 NE2 GLN A 41 11.913 -3.143 -0.459 1.00 2.20 N ATOM 0 H GLN A 41 11.496 -6.062 -4.731 1.00 0.46 H new ATOM 0 HA GLN A 41 9.033 -5.845 -3.483 1.00 0.44 H new ATOM 0 HB2 GLN A 41 11.238 -3.940 -4.246 1.00 0.48 H new ATOM 0 HB3 GLN A 41 9.748 -3.277 -3.606 1.00 0.48 H new ATOM 0 HG2 GLN A 41 10.014 -4.417 -1.518 1.00 0.54 H new ATOM 0 HG3 GLN A 41 11.280 -5.450 -2.154 1.00 0.54 H new ATOM 0 HE21 GLN A 41 11.244 -3.584 0.172 1.00 2.20 H new ATOM 0 HE22 GLN A 41 12.589 -2.470 -0.097 1.00 2.20 H new ATOM 626 N ASN A 42 7.592 -4.037 -4.784 1.00 0.52 N ATOM 627 CA ASN A 42 6.583 -3.440 -5.656 1.00 0.53 C ATOM 628 C ASN A 42 5.641 -2.525 -4.869 1.00 0.51 C ATOM 629 O ASN A 42 4.472 -2.854 -4.665 1.00 0.59 O ATOM 630 CB ASN A 42 5.781 -4.530 -6.373 1.00 0.66 C ATOM 631 CG ASN A 42 5.098 -5.483 -5.411 1.00 1.27 C ATOM 632 OD1 ASN A 42 5.594 -5.739 -4.314 1.00 2.15 O ATOM 633 ND2 ASN A 42 3.951 -6.014 -5.817 1.00 1.71 N ATOM 0 H ASN A 42 7.448 -3.861 -3.790 1.00 0.52 H new ATOM 0 HA ASN A 42 7.102 -2.835 -6.400 1.00 0.53 H new ATOM 0 HB2 ASN A 42 5.030 -4.063 -7.010 1.00 0.66 H new ATOM 0 HB3 ASN A 42 6.446 -5.095 -7.026 1.00 0.66 H new ATOM 0 HD21 ASN A 42 3.446 -6.661 -5.212 1.00 1.71 H new ATOM 0 HD22 ASN A 42 3.575 -5.775 -6.734 1.00 1.71 H new ATOM 640 N PRO A 43 6.139 -1.358 -4.416 1.00 0.47 N ATOM 641 CA PRO A 43 5.333 -0.401 -3.653 1.00 0.54 C ATOM 642 C PRO A 43 4.390 0.396 -4.546 1.00 0.54 C ATOM 643 O PRO A 43 4.596 0.491 -5.756 1.00 0.64 O ATOM 644 CB PRO A 43 6.385 0.519 -3.040 1.00 0.53 C ATOM 645 CG PRO A 43 7.495 0.515 -4.031 1.00 0.46 C ATOM 646 CD PRO A 43 7.524 -0.879 -4.605 1.00 0.45 C ATOM 0 HA PRO A 43 4.690 -0.891 -2.922 1.00 0.54 H new ATOM 0 HB2 PRO A 43 5.993 1.524 -2.885 1.00 0.53 H new ATOM 0 HB3 PRO A 43 6.717 0.153 -2.069 1.00 0.53 H new ATOM 0 HG2 PRO A 43 7.326 1.257 -4.812 1.00 0.46 H new ATOM 0 HG3 PRO A 43 8.444 0.763 -3.557 1.00 0.46 H new ATOM 0 HD2 PRO A 43 7.807 -0.874 -5.658 1.00 0.45 H new ATOM 0 HD3 PRO A 43 8.242 -1.513 -4.085 1.00 0.45 H new ATOM 654 N THR A 44 3.353 0.967 -3.941 1.00 0.59 N ATOM 655 CA THR A 44 2.383 1.761 -4.683 1.00 0.65 C ATOM 656 C THR A 44 2.981 3.107 -5.075 1.00 0.57 C ATOM 657 O THR A 44 3.688 3.727 -4.283 1.00 0.51 O ATOM 658 CB THR A 44 1.099 1.994 -3.863 1.00 0.78 C ATOM 659 OG1 THR A 44 0.545 0.737 -3.454 1.00 1.05 O ATOM 660 CG2 THR A 44 0.068 2.764 -4.676 1.00 1.02 C ATOM 0 H THR A 44 3.164 0.894 -2.941 1.00 0.59 H new ATOM 0 HA THR A 44 2.125 1.200 -5.582 1.00 0.65 H new ATOM 0 HB THR A 44 1.359 2.583 -2.983 1.00 0.78 H new ATOM 0 HG1 THR A 44 -0.270 0.893 -2.932 1.00 1.05 H new ATOM 0 HG21 THR A 44 -0.829 2.916 -4.076 1.00 1.02 H new ATOM 0 HG22 THR A 44 0.480 3.731 -4.964 1.00 1.02 H new ATOM 0 HG23 THR A 44 -0.186 2.197 -5.572 1.00 1.02 H new ATOM 668 N GLU A 45 2.701 3.548 -6.300 1.00 0.61 N ATOM 669 CA GLU A 45 3.222 4.819 -6.799 1.00 0.61 C ATOM 670 C GLU A 45 3.139 5.910 -5.735 1.00 0.60 C ATOM 671 O GLU A 45 4.145 6.537 -5.394 1.00 0.56 O ATOM 672 CB GLU A 45 2.457 5.249 -8.052 1.00 0.75 C ATOM 673 CG GLU A 45 2.951 6.558 -8.650 1.00 1.33 C ATOM 674 CD GLU A 45 2.153 6.980 -9.869 1.00 2.16 C ATOM 675 OE1 GLU A 45 1.112 7.648 -9.696 1.00 2.69 O ATOM 676 OE2 GLU A 45 2.572 6.644 -10.998 1.00 2.64 O ATOM 0 H GLU A 45 2.116 3.043 -6.966 1.00 0.61 H new ATOM 0 HA GLU A 45 4.272 4.673 -7.052 1.00 0.61 H new ATOM 0 HB2 GLU A 45 2.537 4.463 -8.803 1.00 0.75 H new ATOM 0 HB3 GLU A 45 1.400 5.348 -7.806 1.00 0.75 H new ATOM 0 HG2 GLU A 45 2.896 7.342 -7.895 1.00 1.33 H new ATOM 0 HG3 GLU A 45 4.001 6.454 -8.925 1.00 1.33 H new ATOM 683 N ALA A 46 1.938 6.125 -5.207 1.00 0.66 N ATOM 684 CA ALA A 46 1.723 7.140 -4.183 1.00 0.70 C ATOM 685 C ALA A 46 2.608 6.892 -2.967 1.00 0.64 C ATOM 686 O ALA A 46 3.248 7.812 -2.461 1.00 0.66 O ATOM 687 CB ALA A 46 0.260 7.174 -3.768 1.00 0.83 C ATOM 0 H ALA A 46 1.099 5.609 -5.472 1.00 0.66 H new ATOM 0 HA ALA A 46 1.993 8.107 -4.608 1.00 0.70 H new ATOM 0 HB1 ALA A 46 0.116 7.937 -3.003 1.00 0.83 H new ATOM 0 HB2 ALA A 46 -0.359 7.408 -4.634 1.00 0.83 H new ATOM 0 HB3 ALA A 46 -0.028 6.201 -3.369 1.00 0.83 H new ATOM 693 N GLU A 47 2.639 5.644 -2.504 1.00 0.62 N ATOM 694 CA GLU A 47 3.444 5.275 -1.342 1.00 0.62 C ATOM 695 C GLU A 47 4.903 5.677 -1.538 1.00 0.50 C ATOM 696 O GLU A 47 5.492 6.329 -0.678 1.00 0.48 O ATOM 697 CB GLU A 47 3.345 3.770 -1.080 1.00 0.69 C ATOM 698 CG GLU A 47 4.094 3.317 0.164 1.00 0.75 C ATOM 699 CD GLU A 47 3.961 1.829 0.416 1.00 1.31 C ATOM 700 OE1 GLU A 47 4.747 1.055 -0.170 1.00 2.23 O ATOM 701 OE2 GLU A 47 3.071 1.437 1.200 1.00 1.34 O ATOM 0 H GLU A 47 2.116 4.871 -2.916 1.00 0.62 H new ATOM 0 HA GLU A 47 3.053 5.812 -0.478 1.00 0.62 H new ATOM 0 HB2 GLU A 47 2.295 3.495 -0.982 1.00 0.69 H new ATOM 0 HB3 GLU A 47 3.735 3.233 -1.944 1.00 0.69 H new ATOM 0 HG2 GLU A 47 5.149 3.571 0.061 1.00 0.75 H new ATOM 0 HG3 GLU A 47 3.718 3.863 1.029 1.00 0.75 H new ATOM 708 N LEU A 48 5.482 5.277 -2.670 1.00 0.45 N ATOM 709 CA LEU A 48 6.868 5.609 -2.977 1.00 0.39 C ATOM 710 C LEU A 48 7.102 7.110 -2.839 1.00 0.35 C ATOM 711 O LEU A 48 8.152 7.548 -2.370 1.00 0.34 O ATOM 712 CB LEU A 48 7.219 5.152 -4.396 1.00 0.40 C ATOM 713 CG LEU A 48 8.695 5.286 -4.777 1.00 0.66 C ATOM 714 CD1 LEU A 48 9.535 4.265 -4.023 1.00 1.42 C ATOM 715 CD2 LEU A 48 8.875 5.121 -6.278 1.00 1.39 C ATOM 0 H LEU A 48 5.012 4.724 -3.387 1.00 0.45 H new ATOM 0 HA LEU A 48 7.512 5.090 -2.268 1.00 0.39 H new ATOM 0 HB2 LEU A 48 6.925 4.108 -4.508 1.00 0.40 H new ATOM 0 HB3 LEU A 48 6.624 5.729 -5.104 1.00 0.40 H new ATOM 0 HG LEU A 48 9.034 6.284 -4.498 1.00 0.66 H new ATOM 0 HD11 LEU A 48 10.582 4.375 -4.306 1.00 1.42 H new ATOM 0 HD12 LEU A 48 9.430 4.428 -2.950 1.00 1.42 H new ATOM 0 HD13 LEU A 48 9.195 3.260 -4.272 1.00 1.42 H new ATOM 0 HD21 LEU A 48 9.931 5.219 -6.531 1.00 1.39 H new ATOM 0 HD22 LEU A 48 8.519 4.136 -6.581 1.00 1.39 H new ATOM 0 HD23 LEU A 48 8.304 5.889 -6.800 1.00 1.39 H new ATOM 727 N GLN A 49 6.107 7.892 -3.248 1.00 0.45 N ATOM 728 CA GLN A 49 6.189 9.347 -3.170 1.00 0.52 C ATOM 729 C GLN A 49 6.005 9.830 -1.736 1.00 0.54 C ATOM 730 O GLN A 49 6.570 10.847 -1.335 1.00 0.58 O ATOM 731 CB GLN A 49 5.122 9.983 -4.060 1.00 0.67 C ATOM 732 CG GLN A 49 5.319 9.713 -5.543 1.00 0.70 C ATOM 733 CD GLN A 49 6.596 10.329 -6.084 1.00 0.77 C ATOM 734 OE1 GLN A 49 6.606 11.478 -6.526 1.00 1.21 O ATOM 735 NE2 GLN A 49 7.682 9.564 -6.055 1.00 1.02 N ATOM 0 H GLN A 49 5.232 7.541 -3.638 1.00 0.45 H new ATOM 0 HA GLN A 49 7.179 9.646 -3.515 1.00 0.52 H new ATOM 0 HB2 GLN A 49 4.143 9.611 -3.759 1.00 0.67 H new ATOM 0 HB3 GLN A 49 5.118 11.060 -3.894 1.00 0.67 H new ATOM 0 HG2 GLN A 49 5.339 8.637 -5.713 1.00 0.70 H new ATOM 0 HG3 GLN A 49 4.467 10.107 -6.097 1.00 0.70 H new ATOM 0 HE21 GLN A 49 7.629 8.617 -5.680 1.00 1.02 H new ATOM 0 HE22 GLN A 49 8.569 9.924 -6.408 1.00 1.02 H new ATOM 744 N ASP A 50 5.210 9.092 -0.969 1.00 0.59 N ATOM 745 CA ASP A 50 4.938 9.443 0.420 1.00 0.68 C ATOM 746 C ASP A 50 6.185 9.276 1.276 1.00 0.59 C ATOM 747 O ASP A 50 6.470 10.100 2.147 1.00 0.57 O ATOM 748 CB ASP A 50 3.803 8.579 0.975 1.00 0.88 C ATOM 749 CG ASP A 50 2.456 8.928 0.372 1.00 1.05 C ATOM 750 OD1 ASP A 50 2.008 10.080 0.548 1.00 1.09 O ATOM 751 OD2 ASP A 50 1.849 8.049 -0.275 1.00 1.19 O ATOM 0 H ASP A 50 4.741 8.244 -1.287 1.00 0.59 H new ATOM 0 HA ASP A 50 4.635 10.490 0.451 1.00 0.68 H new ATOM 0 HB2 ASP A 50 4.023 7.529 0.781 1.00 0.88 H new ATOM 0 HB3 ASP A 50 3.755 8.700 2.057 1.00 0.88 H new ATOM 756 N LEU A 51 6.927 8.207 1.019 1.00 0.60 N ATOM 757 CA LEU A 51 8.143 7.925 1.765 1.00 0.64 C ATOM 758 C LEU A 51 9.236 8.928 1.404 1.00 0.54 C ATOM 759 O LEU A 51 9.958 9.419 2.276 1.00 0.64 O ATOM 760 CB LEU A 51 8.608 6.489 1.488 1.00 0.76 C ATOM 761 CG LEU A 51 9.590 6.320 0.323 1.00 0.40 C ATOM 762 CD1 LEU A 51 11.025 6.391 0.816 1.00 0.86 C ATOM 763 CD2 LEU A 51 9.347 5.010 -0.398 1.00 0.84 C ATOM 0 H LEU A 51 6.706 7.520 0.298 1.00 0.60 H new ATOM 0 HA LEU A 51 7.934 8.022 2.830 1.00 0.64 H new ATOM 0 HB2 LEU A 51 9.075 6.097 2.392 1.00 0.76 H new ATOM 0 HB3 LEU A 51 7.730 5.874 1.291 1.00 0.76 H new ATOM 0 HG LEU A 51 9.424 7.137 -0.379 1.00 0.40 H new ATOM 0 HD11 LEU A 51 11.706 6.269 -0.027 1.00 0.86 H new ATOM 0 HD12 LEU A 51 11.201 7.358 1.287 1.00 0.86 H new ATOM 0 HD13 LEU A 51 11.200 5.597 1.542 1.00 0.86 H new ATOM 0 HD21 LEU A 51 10.055 4.911 -1.221 1.00 0.84 H new ATOM 0 HD22 LEU A 51 9.481 4.182 0.298 1.00 0.84 H new ATOM 0 HD23 LEU A 51 8.330 4.994 -0.790 1.00 0.84 H new ATOM 775 N ILE A 52 9.341 9.237 0.114 1.00 0.44 N ATOM 776 CA ILE A 52 10.346 10.173 -0.360 1.00 0.48 C ATOM 777 C ILE A 52 10.034 11.581 0.118 1.00 0.53 C ATOM 778 O ILE A 52 10.935 12.381 0.339 1.00 0.68 O ATOM 779 CB ILE A 52 10.444 10.183 -1.898 1.00 0.48 C ATOM 780 CG1 ILE A 52 10.938 8.826 -2.406 1.00 0.48 C ATOM 781 CG2 ILE A 52 11.365 11.304 -2.369 1.00 0.67 C ATOM 782 CD1 ILE A 52 10.877 8.680 -3.911 1.00 0.54 C ATOM 0 H ILE A 52 8.742 8.852 -0.617 1.00 0.44 H new ATOM 0 HA ILE A 52 11.301 9.842 0.049 1.00 0.48 H new ATOM 0 HB ILE A 52 9.451 10.365 -2.309 1.00 0.48 H new ATOM 0 HG12 ILE A 52 11.966 8.678 -2.077 1.00 0.48 H new ATOM 0 HG13 ILE A 52 10.340 8.037 -1.949 1.00 0.48 H new ATOM 0 HG21 ILE A 52 11.422 11.295 -3.457 1.00 0.67 H new ATOM 0 HG22 ILE A 52 10.971 12.264 -2.034 1.00 0.67 H new ATOM 0 HG23 ILE A 52 12.361 11.155 -1.953 1.00 0.67 H new ATOM 0 HD11 ILE A 52 11.243 7.694 -4.196 1.00 0.54 H new ATOM 0 HD12 ILE A 52 9.846 8.796 -4.246 1.00 0.54 H new ATOM 0 HD13 ILE A 52 11.498 9.446 -4.376 1.00 0.54 H new ATOM 794 N ALA A 53 8.746 11.875 0.270 1.00 0.50 N ATOM 795 CA ALA A 53 8.304 13.191 0.712 1.00 0.60 C ATOM 796 C ALA A 53 8.622 13.421 2.186 1.00 0.64 C ATOM 797 O ALA A 53 8.946 14.536 2.593 1.00 0.73 O ATOM 798 CB ALA A 53 6.814 13.351 0.460 1.00 0.67 C ATOM 0 H ALA A 53 7.988 11.216 0.092 1.00 0.50 H new ATOM 0 HA ALA A 53 8.847 13.941 0.136 1.00 0.60 H new ATOM 0 HB1 ALA A 53 6.492 14.338 0.794 1.00 0.67 H new ATOM 0 HB2 ALA A 53 6.612 13.244 -0.606 1.00 0.67 H new ATOM 0 HB3 ALA A 53 6.268 12.586 1.011 1.00 0.67 H new ATOM 804 N GLU A 54 8.526 12.361 2.983 1.00 0.63 N ATOM 805 CA GLU A 54 8.805 12.455 4.412 1.00 0.72 C ATOM 806 C GLU A 54 10.279 12.766 4.659 1.00 0.66 C ATOM 807 O GLU A 54 10.613 13.717 5.365 1.00 0.72 O ATOM 808 CB GLU A 54 8.420 11.152 5.115 1.00 0.81 C ATOM 809 CG GLU A 54 8.512 11.228 6.631 1.00 1.18 C ATOM 810 CD GLU A 54 7.572 12.261 7.221 1.00 1.71 C ATOM 811 OE1 GLU A 54 7.990 13.430 7.366 1.00 2.45 O ATOM 812 OE2 GLU A 54 6.417 11.903 7.537 1.00 1.82 O ATOM 0 H GLU A 54 8.258 11.430 2.665 1.00 0.63 H new ATOM 0 HA GLU A 54 8.207 13.270 4.821 1.00 0.72 H new ATOM 0 HB2 GLU A 54 7.401 10.885 4.834 1.00 0.81 H new ATOM 0 HB3 GLU A 54 9.069 10.352 4.760 1.00 0.81 H new ATOM 0 HG2 GLU A 54 8.283 10.250 7.055 1.00 1.18 H new ATOM 0 HG3 GLU A 54 9.536 11.468 6.918 1.00 1.18 H new ATOM 819 N ALA A 55 11.154 11.954 4.076 1.00 0.58 N ATOM 820 CA ALA A 55 12.596 12.135 4.227 1.00 0.56 C ATOM 821 C ALA A 55 13.121 13.224 3.296 1.00 0.58 C ATOM 822 O ALA A 55 14.260 13.671 3.433 1.00 0.62 O ATOM 823 CB ALA A 55 13.323 10.825 3.972 1.00 0.56 C ATOM 0 H ALA A 55 10.890 11.161 3.492 1.00 0.58 H new ATOM 0 HA ALA A 55 12.787 12.452 5.252 1.00 0.56 H new ATOM 0 HB1 ALA A 55 14.396 10.976 4.088 1.00 0.56 H new ATOM 0 HB2 ALA A 55 12.983 10.075 4.686 1.00 0.56 H new ATOM 0 HB3 ALA A 55 13.112 10.483 2.959 1.00 0.56 H new ATOM 829 N GLU A 56 12.283 13.635 2.346 1.00 0.59 N ATOM 830 CA GLU A 56 12.647 14.654 1.361 1.00 0.65 C ATOM 831 C GLU A 56 13.483 15.773 1.977 1.00 0.72 C ATOM 832 O GLU A 56 14.560 16.099 1.478 1.00 0.77 O ATOM 833 CB GLU A 56 11.387 15.255 0.732 1.00 0.72 C ATOM 834 CG GLU A 56 11.651 16.013 -0.559 1.00 0.82 C ATOM 835 CD GLU A 56 12.194 15.121 -1.659 1.00 1.52 C ATOM 836 OE1 GLU A 56 13.431 14.974 -1.749 1.00 2.45 O ATOM 837 OE2 GLU A 56 11.381 14.569 -2.430 1.00 1.79 O ATOM 0 H GLU A 56 11.336 13.273 2.237 1.00 0.59 H new ATOM 0 HA GLU A 56 13.248 14.162 0.597 1.00 0.65 H new ATOM 0 HB2 GLU A 56 10.673 14.455 0.534 1.00 0.72 H new ATOM 0 HB3 GLU A 56 10.919 15.929 1.450 1.00 0.72 H new ATOM 0 HG2 GLU A 56 10.726 16.479 -0.898 1.00 0.82 H new ATOM 0 HG3 GLU A 56 12.361 16.817 -0.365 1.00 0.82 H new ATOM 844 N ASN A 57 12.983 16.358 3.060 1.00 0.77 N ATOM 845 CA ASN A 57 13.688 17.448 3.726 1.00 0.88 C ATOM 846 C ASN A 57 13.713 17.259 5.240 1.00 0.82 C ATOM 847 O ASN A 57 12.961 17.904 5.970 1.00 1.21 O ATOM 848 CB ASN A 57 13.035 18.783 3.371 1.00 1.17 C ATOM 849 CG ASN A 57 13.233 19.149 1.913 1.00 1.21 C ATOM 850 OD1 ASN A 57 12.410 18.579 1.040 1.00 1.80 O flip ATOM 851 ND2 ASN A 57 14.125 19.926 1.573 1.00 1.19 N flip ATOM 0 H ASN A 57 12.097 16.098 3.494 1.00 0.77 H new ATOM 0 HA ASN A 57 14.720 17.445 3.376 1.00 0.88 H new ATOM 0 HB2 ASN A 57 11.968 18.733 3.589 1.00 1.17 H new ATOM 0 HB3 ASN A 57 13.453 19.568 4.001 1.00 1.17 H new ATOM 0 HD21 ASN A 57 14.735 20.342 2.277 1.00 1.19 H new ATOM 0 HD22 ASN A 57 14.254 20.154 0.587 1.00 1.19 H new ATOM 858 N ASN A 58 14.589 16.372 5.701 1.00 1.05 N ATOM 859 CA ASN A 58 14.730 16.096 7.127 1.00 1.01 C ATOM 860 C ASN A 58 16.122 15.556 7.434 1.00 0.95 C ATOM 861 O ASN A 58 16.574 15.590 8.579 1.00 1.57 O ATOM 862 CB ASN A 58 13.669 15.096 7.590 1.00 1.04 C ATOM 863 CG ASN A 58 12.296 15.725 7.720 1.00 1.42 C ATOM 864 OD1 ASN A 58 11.507 15.724 6.777 1.00 1.82 O ATOM 865 ND2 ASN A 58 12.008 16.271 8.896 1.00 1.89 N ATOM 0 H ASN A 58 15.215 15.830 5.105 1.00 1.05 H new ATOM 0 HA ASN A 58 14.589 17.032 7.668 1.00 1.01 H new ATOM 0 HB2 ASN A 58 13.621 14.269 6.882 1.00 1.04 H new ATOM 0 HB3 ASN A 58 13.965 14.676 8.551 1.00 1.04 H new ATOM 0 HD21 ASN A 58 11.101 16.713 9.045 1.00 1.89 H new ATOM 0 HD22 ASN A 58 12.694 16.248 9.651 1.00 1.89 H new ATOM 872 N ASN A 59 16.794 15.058 6.400 1.00 0.75 N ATOM 873 CA ASN A 59 18.137 14.506 6.547 1.00 0.73 C ATOM 874 C ASN A 59 18.735 14.173 5.183 1.00 0.84 C ATOM 875 O ASN A 59 19.277 13.086 4.983 1.00 1.76 O ATOM 876 CB ASN A 59 18.101 13.247 7.420 1.00 0.76 C ATOM 877 CG ASN A 59 17.137 12.202 6.892 1.00 0.95 C ATOM 878 OD1 ASN A 59 17.639 11.302 6.054 1.00 1.75 O flip ATOM 879 ND2 ASN A 59 15.954 12.201 7.235 1.00 0.92 N flip ATOM 0 H ASN A 59 16.429 15.025 5.448 1.00 0.75 H new ATOM 0 HA ASN A 59 18.763 15.257 7.029 1.00 0.73 H new ATOM 0 HB2 ASN A 59 19.102 12.819 7.476 1.00 0.76 H new ATOM 0 HB3 ASN A 59 17.815 13.521 8.435 1.00 0.76 H new ATOM 0 HD21 ASN A 59 15.610 12.911 7.881 1.00 0.92 H new ATOM 0 HD22 ASN A 59 15.319 11.490 6.873 1.00 0.92 H new ATOM 886 N ASN A 60 18.632 15.116 4.245 1.00 0.57 N ATOM 887 CA ASN A 60 19.158 14.915 2.897 1.00 0.52 C ATOM 888 C ASN A 60 18.427 13.763 2.208 1.00 0.42 C ATOM 889 O ASN A 60 18.772 13.360 1.097 1.00 0.53 O ATOM 890 CB ASN A 60 20.673 14.645 2.954 1.00 0.58 C ATOM 891 CG ASN A 60 21.224 14.015 1.687 1.00 0.93 C ATOM 892 OD1 ASN A 60 21.277 12.684 1.662 1.00 1.99 O flip ATOM 893 ND2 ASN A 60 21.598 14.713 0.744 1.00 0.55 N flip ATOM 0 H ASN A 60 18.190 16.023 4.395 1.00 0.57 H new ATOM 0 HA ASN A 60 18.991 15.821 2.314 1.00 0.52 H new ATOM 0 HB2 ASN A 60 21.195 15.584 3.140 1.00 0.58 H new ATOM 0 HB3 ASN A 60 20.886 13.989 3.798 1.00 0.58 H new ATOM 0 HD21 ASN A 60 21.539 15.729 0.807 1.00 0.55 H new ATOM 0 HD22 ASN A 60 21.967 14.275 -0.100 1.00 0.55 H new ATOM 900 N GLY A 61 17.386 13.259 2.864 1.00 0.37 N ATOM 901 CA GLY A 61 16.641 12.146 2.314 1.00 0.33 C ATOM 902 C GLY A 61 17.478 10.889 2.309 1.00 0.27 C ATOM 903 O GLY A 61 17.947 10.456 1.264 1.00 0.33 O ATOM 0 H GLY A 61 17.048 13.601 3.763 1.00 0.37 H new ATOM 0 HA2 GLY A 61 15.736 11.983 2.900 1.00 0.33 H new ATOM 0 HA3 GLY A 61 16.325 12.381 1.298 1.00 0.33 H new ATOM 907 N GLN A 62 17.673 10.314 3.489 1.00 0.29 N ATOM 908 CA GLN A 62 18.480 9.110 3.638 1.00 0.25 C ATOM 909 C GLN A 62 17.666 7.965 4.231 1.00 0.29 C ATOM 910 O GLN A 62 16.660 8.185 4.906 1.00 0.42 O ATOM 911 CB GLN A 62 19.695 9.397 4.521 1.00 0.30 C ATOM 912 CG GLN A 62 20.805 10.153 3.811 1.00 0.31 C ATOM 913 CD GLN A 62 21.615 9.262 2.891 1.00 0.32 C ATOM 914 OE1 GLN A 62 21.193 9.171 1.637 1.00 0.38 O flip ATOM 915 NE2 GLN A 62 22.609 8.664 3.303 1.00 0.54 N flip ATOM 0 H GLN A 62 17.280 10.665 4.362 1.00 0.29 H new ATOM 0 HA GLN A 62 18.816 8.808 2.646 1.00 0.25 H new ATOM 0 HB2 GLN A 62 19.374 9.973 5.389 1.00 0.30 H new ATOM 0 HB3 GLN A 62 20.092 8.453 4.894 1.00 0.30 H new ATOM 0 HG2 GLN A 62 20.372 10.970 3.233 1.00 0.31 H new ATOM 0 HG3 GLN A 62 21.466 10.602 4.552 1.00 0.31 H new ATOM 0 HE21 GLN A 62 22.897 8.764 4.276 1.00 0.54 H new ATOM 0 HE22 GLN A 62 23.145 8.069 2.671 1.00 0.54 H new ATOM 924 N LEU A 63 18.115 6.743 3.970 1.00 0.28 N ATOM 925 CA LEU A 63 17.438 5.548 4.461 1.00 0.37 C ATOM 926 C LEU A 63 18.428 4.621 5.143 1.00 0.27 C ATOM 927 O LEU A 63 19.594 4.570 4.768 1.00 0.23 O ATOM 928 CB LEU A 63 16.767 4.810 3.307 1.00 0.57 C ATOM 929 CG LEU A 63 15.772 5.638 2.501 1.00 0.90 C ATOM 930 CD1 LEU A 63 15.587 5.034 1.121 1.00 1.58 C ATOM 931 CD2 LEU A 63 14.440 5.726 3.231 1.00 1.61 C ATOM 0 H LEU A 63 18.951 6.553 3.417 1.00 0.28 H new ATOM 0 HA LEU A 63 16.681 5.856 5.182 1.00 0.37 H new ATOM 0 HB2 LEU A 63 17.540 4.442 2.633 1.00 0.57 H new ATOM 0 HB3 LEU A 63 16.251 3.937 3.706 1.00 0.57 H new ATOM 0 HG LEU A 63 16.166 6.648 2.388 1.00 0.90 H new ATOM 0 HD11 LEU A 63 14.874 5.633 0.554 1.00 1.58 H new ATOM 0 HD12 LEU A 63 16.544 5.018 0.599 1.00 1.58 H new ATOM 0 HD13 LEU A 63 15.209 4.016 1.217 1.00 1.58 H new ATOM 0 HD21 LEU A 63 13.741 6.320 2.642 1.00 1.61 H new ATOM 0 HD22 LEU A 63 14.035 4.724 3.372 1.00 1.61 H new ATOM 0 HD23 LEU A 63 14.588 6.197 4.203 1.00 1.61 H new ATOM 943 N ASN A 64 17.951 3.853 6.112 1.00 0.31 N ATOM 944 CA ASN A 64 18.812 2.937 6.845 1.00 0.28 C ATOM 945 C ASN A 64 18.451 1.491 6.534 1.00 0.25 C ATOM 946 O ASN A 64 17.330 1.200 6.118 1.00 0.27 O ATOM 947 CB ASN A 64 18.707 3.182 8.352 1.00 0.41 C ATOM 948 CG ASN A 64 18.896 4.640 8.728 1.00 0.53 C ATOM 949 OD1 ASN A 64 18.538 5.544 7.972 1.00 1.34 O ATOM 950 ND2 ASN A 64 19.463 4.877 9.905 1.00 0.95 N ATOM 0 H ASN A 64 16.975 3.846 6.408 1.00 0.31 H new ATOM 0 HA ASN A 64 19.839 3.120 6.528 1.00 0.28 H new ATOM 0 HB2 ASN A 64 17.731 2.845 8.703 1.00 0.41 H new ATOM 0 HB3 ASN A 64 19.456 2.579 8.866 1.00 0.41 H new ATOM 0 HD21 ASN A 64 19.617 5.837 10.213 1.00 0.95 H new ATOM 0 HD22 ASN A 64 19.745 4.099 10.501 1.00 0.95 H new ATOM 957 N PHE A 65 19.414 0.597 6.719 1.00 0.25 N ATOM 958 CA PHE A 65 19.211 -0.823 6.453 1.00 0.26 C ATOM 959 C PHE A 65 17.875 -1.312 7.011 1.00 0.27 C ATOM 960 O PHE A 65 17.189 -2.110 6.377 1.00 0.31 O ATOM 961 CB PHE A 65 20.358 -1.636 7.054 1.00 0.32 C ATOM 962 CG PHE A 65 20.190 -3.122 6.911 1.00 0.30 C ATOM 963 CD1 PHE A 65 20.273 -3.728 5.669 1.00 0.36 C ATOM 964 CD2 PHE A 65 19.950 -3.913 8.025 1.00 0.39 C ATOM 965 CE1 PHE A 65 20.121 -5.096 5.539 1.00 0.44 C ATOM 966 CE2 PHE A 65 19.797 -5.280 7.900 1.00 0.45 C ATOM 967 CZ PHE A 65 19.883 -5.871 6.657 1.00 0.45 C ATOM 0 H PHE A 65 20.349 0.831 7.054 1.00 0.25 H new ATOM 0 HA PHE A 65 19.194 -0.963 5.372 1.00 0.26 H new ATOM 0 HB2 PHE A 65 21.291 -1.338 6.576 1.00 0.32 H new ATOM 0 HB3 PHE A 65 20.449 -1.391 8.112 1.00 0.32 H new ATOM 0 HD1 PHE A 65 20.459 -3.126 4.792 1.00 0.36 H new ATOM 0 HD2 PHE A 65 19.882 -3.455 9.001 1.00 0.39 H new ATOM 0 HE1 PHE A 65 20.188 -5.558 4.565 1.00 0.44 H new ATOM 0 HE2 PHE A 65 19.610 -5.885 8.775 1.00 0.45 H new ATOM 0 HZ PHE A 65 19.764 -6.940 6.558 1.00 0.45 H new ATOM 977 N THR A 66 17.509 -0.826 8.192 1.00 0.28 N ATOM 978 CA THR A 66 16.255 -1.227 8.824 1.00 0.32 C ATOM 979 C THR A 66 15.051 -0.748 8.021 1.00 0.31 C ATOM 980 O THR A 66 14.045 -1.448 7.922 1.00 0.33 O ATOM 981 CB THR A 66 16.141 -0.677 10.257 1.00 0.38 C ATOM 982 OG1 THR A 66 17.384 -0.841 10.950 1.00 0.56 O ATOM 983 CG2 THR A 66 15.035 -1.391 11.020 1.00 0.52 C ATOM 0 H THR A 66 18.059 -0.157 8.730 1.00 0.28 H new ATOM 0 HA THR A 66 16.261 -2.316 8.857 1.00 0.32 H new ATOM 0 HB THR A 66 15.899 0.384 10.196 1.00 0.38 H new ATOM 0 HG1 THR A 66 17.301 -0.486 11.860 1.00 0.56 H new ATOM 0 HG21 THR A 66 14.971 -0.987 12.031 1.00 0.52 H new ATOM 0 HG22 THR A 66 14.084 -1.241 10.508 1.00 0.52 H new ATOM 0 HG23 THR A 66 15.256 -2.457 11.069 1.00 0.52 H new ATOM 991 N GLU A 67 15.155 0.451 7.458 1.00 0.30 N ATOM 992 CA GLU A 67 14.072 1.019 6.662 1.00 0.33 C ATOM 993 C GLU A 67 13.784 0.148 5.443 1.00 0.30 C ATOM 994 O GLU A 67 12.653 -0.299 5.234 1.00 0.33 O ATOM 995 CB GLU A 67 14.431 2.438 6.211 1.00 0.36 C ATOM 996 CG GLU A 67 14.795 3.370 7.356 1.00 0.42 C ATOM 997 CD GLU A 67 13.615 3.670 8.261 1.00 0.93 C ATOM 998 OE1 GLU A 67 13.406 2.914 9.234 1.00 1.70 O ATOM 999 OE2 GLU A 67 12.899 4.659 7.996 1.00 1.22 O ATOM 0 H GLU A 67 15.978 1.048 7.538 1.00 0.30 H new ATOM 0 HA GLU A 67 13.178 1.057 7.284 1.00 0.33 H new ATOM 0 HB2 GLU A 67 15.268 2.388 5.515 1.00 0.36 H new ATOM 0 HB3 GLU A 67 13.588 2.860 5.665 1.00 0.36 H new ATOM 0 HG2 GLU A 67 15.595 2.921 7.945 1.00 0.42 H new ATOM 0 HG3 GLU A 67 15.184 4.304 6.950 1.00 0.42 H new ATOM 1006 N PHE A 68 14.818 -0.097 4.647 1.00 0.27 N ATOM 1007 CA PHE A 68 14.689 -0.910 3.444 1.00 0.26 C ATOM 1008 C PHE A 68 14.336 -2.352 3.793 1.00 0.27 C ATOM 1009 O PHE A 68 13.390 -2.917 3.245 1.00 0.31 O ATOM 1010 CB PHE A 68 15.988 -0.865 2.640 1.00 0.26 C ATOM 1011 CG PHE A 68 15.906 -1.553 1.305 1.00 0.27 C ATOM 1012 CD1 PHE A 68 14.848 -1.309 0.439 1.00 0.38 C ATOM 1013 CD2 PHE A 68 16.894 -2.440 0.911 1.00 0.35 C ATOM 1014 CE1 PHE A 68 14.783 -1.938 -0.787 1.00 0.44 C ATOM 1015 CE2 PHE A 68 16.833 -3.070 -0.316 1.00 0.37 C ATOM 1016 CZ PHE A 68 15.776 -2.818 -1.167 1.00 0.37 C ATOM 0 H PHE A 68 15.760 0.258 4.814 1.00 0.27 H new ATOM 0 HA PHE A 68 13.880 -0.500 2.840 1.00 0.26 H new ATOM 0 HB2 PHE A 68 16.271 0.176 2.484 1.00 0.26 H new ATOM 0 HB3 PHE A 68 16.782 -1.326 3.227 1.00 0.26 H new ATOM 0 HD1 PHE A 68 14.068 -0.620 0.728 1.00 0.38 H new ATOM 0 HD2 PHE A 68 17.723 -2.642 1.573 1.00 0.35 H new ATOM 0 HE1 PHE A 68 13.954 -1.742 -1.451 1.00 0.44 H new ATOM 0 HE2 PHE A 68 17.611 -3.759 -0.609 1.00 0.37 H new ATOM 0 HZ PHE A 68 15.726 -3.308 -2.128 1.00 0.37 H new ATOM 1026 N CYS A 69 15.103 -2.943 4.706 1.00 0.26 N ATOM 1027 CA CYS A 69 14.864 -4.318 5.129 1.00 0.28 C ATOM 1028 C CYS A 69 13.450 -4.459 5.664 1.00 0.29 C ATOM 1029 O CYS A 69 12.829 -5.515 5.548 1.00 0.34 O ATOM 1030 CB CYS A 69 15.866 -4.736 6.206 1.00 0.27 C ATOM 1031 SG CYS A 69 15.734 -6.466 6.711 1.00 0.49 S ATOM 0 H CYS A 69 15.894 -2.491 5.166 1.00 0.26 H new ATOM 0 HA CYS A 69 14.991 -4.969 4.264 1.00 0.28 H new ATOM 0 HB2 CYS A 69 16.875 -4.553 5.838 1.00 0.27 H new ATOM 0 HB3 CYS A 69 15.726 -4.102 7.082 1.00 0.27 H new ATOM 0 HG CYS A 69 16.625 -6.721 7.623 1.00 0.49 H new ATOM 1037 N GLY A 70 12.951 -3.381 6.260 1.00 0.31 N ATOM 1038 CA GLY A 70 11.610 -3.387 6.797 1.00 0.34 C ATOM 1039 C GLY A 70 10.586 -3.646 5.722 1.00 0.35 C ATOM 1040 O GLY A 70 9.761 -4.556 5.837 1.00 0.35 O ATOM 0 H GLY A 70 13.456 -2.503 6.379 1.00 0.31 H new ATOM 0 HA2 GLY A 70 11.530 -4.152 7.569 1.00 0.34 H new ATOM 0 HA3 GLY A 70 11.404 -2.429 7.274 1.00 0.34 H new ATOM 1044 N ILE A 71 10.648 -2.852 4.665 1.00 0.38 N ATOM 1045 CA ILE A 71 9.728 -3.007 3.555 1.00 0.41 C ATOM 1046 C ILE A 71 9.941 -4.332 2.855 1.00 0.41 C ATOM 1047 O ILE A 71 8.999 -4.936 2.346 1.00 0.45 O ATOM 1048 CB ILE A 71 9.893 -1.894 2.521 1.00 0.43 C ATOM 1049 CG1 ILE A 71 9.656 -0.534 3.179 1.00 0.46 C ATOM 1050 CG2 ILE A 71 8.937 -2.135 1.364 1.00 0.47 C ATOM 1051 CD1 ILE A 71 9.786 0.639 2.230 1.00 0.49 C ATOM 0 H ILE A 71 11.324 -2.097 4.554 1.00 0.38 H new ATOM 0 HA ILE A 71 8.725 -2.961 3.979 1.00 0.41 H new ATOM 0 HB ILE A 71 10.909 -1.897 2.127 1.00 0.43 H new ATOM 0 HG12 ILE A 71 8.659 -0.523 3.619 1.00 0.46 H new ATOM 0 HG13 ILE A 71 10.367 -0.408 3.996 1.00 0.46 H new ATOM 0 HG21 ILE A 71 9.053 -1.342 0.625 1.00 0.47 H new ATOM 0 HG22 ILE A 71 9.160 -3.097 0.902 1.00 0.47 H new ATOM 0 HG23 ILE A 71 7.912 -2.139 1.734 1.00 0.47 H new ATOM 0 HD11 ILE A 71 9.604 1.567 2.772 1.00 0.49 H new ATOM 0 HD12 ILE A 71 10.791 0.656 1.808 1.00 0.49 H new ATOM 0 HD13 ILE A 71 9.057 0.539 1.426 1.00 0.49 H new ATOM 1063 N MET A 72 11.185 -4.783 2.836 1.00 0.39 N ATOM 1064 CA MET A 72 11.512 -6.032 2.182 1.00 0.41 C ATOM 1065 C MET A 72 10.824 -7.165 2.909 1.00 0.42 C ATOM 1066 O MET A 72 10.328 -8.108 2.306 1.00 0.50 O ATOM 1067 CB MET A 72 13.019 -6.275 2.185 1.00 0.41 C ATOM 1068 CG MET A 72 13.802 -5.320 1.306 1.00 0.45 C ATOM 1069 SD MET A 72 13.641 -5.700 -0.450 1.00 0.78 S ATOM 1070 CE MET A 72 14.229 -7.392 -0.497 1.00 0.36 C ATOM 0 H MET A 72 11.977 -4.304 3.264 1.00 0.39 H new ATOM 0 HA MET A 72 11.173 -5.981 1.147 1.00 0.41 H new ATOM 0 HB2 MET A 72 13.387 -6.195 3.208 1.00 0.41 H new ATOM 0 HB3 MET A 72 13.212 -7.296 1.856 1.00 0.41 H new ATOM 0 HG2 MET A 72 13.458 -4.302 1.486 1.00 0.45 H new ATOM 0 HG3 MET A 72 14.855 -5.355 1.586 1.00 0.45 H new ATOM 0 HE1 MET A 72 14.978 -7.495 -1.282 1.00 0.36 H new ATOM 0 HE2 MET A 72 14.673 -7.650 0.465 1.00 0.36 H new ATOM 0 HE3 MET A 72 13.394 -8.062 -0.703 1.00 0.36 H new ATOM 1080 N ALA A 73 10.822 -7.051 4.224 1.00 0.41 N ATOM 1081 CA ALA A 73 10.197 -8.034 5.087 1.00 0.44 C ATOM 1082 C ALA A 73 8.720 -8.189 4.747 1.00 0.45 C ATOM 1083 O ALA A 73 8.206 -9.303 4.648 1.00 0.51 O ATOM 1084 CB ALA A 73 10.371 -7.609 6.533 1.00 0.46 C ATOM 0 H ALA A 73 11.254 -6.274 4.724 1.00 0.41 H new ATOM 0 HA ALA A 73 10.676 -9.001 4.935 1.00 0.44 H new ATOM 0 HB1 ALA A 73 9.903 -8.344 7.187 1.00 0.46 H new ATOM 0 HB2 ALA A 73 11.433 -7.540 6.767 1.00 0.46 H new ATOM 0 HB3 ALA A 73 9.902 -6.637 6.686 1.00 0.46 H new ATOM 1090 N LYS A 74 8.046 -7.057 4.562 1.00 0.42 N ATOM 1091 CA LYS A 74 6.622 -7.048 4.235 1.00 0.46 C ATOM 1092 C LYS A 74 6.368 -7.579 2.829 1.00 0.47 C ATOM 1093 O LYS A 74 5.578 -8.501 2.629 1.00 0.57 O ATOM 1094 CB LYS A 74 6.069 -5.626 4.339 1.00 0.50 C ATOM 1095 CG LYS A 74 6.711 -4.804 5.438 1.00 1.17 C ATOM 1096 CD LYS A 74 5.937 -3.528 5.721 1.00 1.08 C ATOM 1097 CE LYS A 74 5.834 -2.640 4.489 1.00 1.83 C ATOM 1098 NZ LYS A 74 5.096 -1.378 4.774 1.00 2.52 N ATOM 0 H LYS A 74 8.465 -6.130 4.633 1.00 0.42 H new ATOM 0 HA LYS A 74 6.117 -7.699 4.949 1.00 0.46 H new ATOM 0 HB2 LYS A 74 6.214 -5.118 3.385 1.00 0.50 H new ATOM 0 HB3 LYS A 74 4.994 -5.675 4.514 1.00 0.50 H new ATOM 0 HG2 LYS A 74 6.772 -5.400 6.348 1.00 1.17 H new ATOM 0 HG3 LYS A 74 7.733 -4.553 5.153 1.00 1.17 H new ATOM 0 HD2 LYS A 74 4.936 -3.781 6.071 1.00 1.08 H new ATOM 0 HD3 LYS A 74 6.426 -2.978 6.525 1.00 1.08 H new ATOM 0 HE2 LYS A 74 6.835 -2.402 4.129 1.00 1.83 H new ATOM 0 HE3 LYS A 74 5.329 -3.184 3.691 1.00 1.83 H new ATOM 0 HZ1 LYS A 74 5.048 -0.801 3.910 1.00 2.52 H new ATOM 0 HZ2 LYS A 74 4.133 -1.604 5.094 1.00 2.52 H new ATOM 0 HZ3 LYS A 74 5.592 -0.846 5.518 1.00 2.52 H new ATOM 1112 N GLN A 75 7.040 -6.978 1.858 1.00 0.45 N ATOM 1113 CA GLN A 75 6.883 -7.357 0.456 1.00 0.50 C ATOM 1114 C GLN A 75 7.245 -8.822 0.199 1.00 0.52 C ATOM 1115 O GLN A 75 6.520 -9.533 -0.496 1.00 0.67 O ATOM 1116 CB GLN A 75 7.746 -6.451 -0.423 1.00 0.50 C ATOM 1117 CG GLN A 75 7.031 -5.960 -1.671 1.00 0.76 C ATOM 1118 CD GLN A 75 6.841 -4.454 -1.685 1.00 0.66 C ATOM 1119 OE1 GLN A 75 7.785 -3.728 -1.096 1.00 1.60 O flip ATOM 1120 NE2 GLN A 75 5.859 -3.946 -2.227 1.00 0.86 N flip ATOM 0 H GLN A 75 7.705 -6.220 2.014 1.00 0.45 H new ATOM 0 HA GLN A 75 5.829 -7.235 0.204 1.00 0.50 H new ATOM 0 HB2 GLN A 75 8.070 -5.591 0.163 1.00 0.50 H new ATOM 0 HB3 GLN A 75 8.645 -6.993 -0.718 1.00 0.50 H new ATOM 0 HG2 GLN A 75 7.600 -6.258 -2.551 1.00 0.76 H new ATOM 0 HG3 GLN A 75 6.058 -6.445 -1.741 1.00 0.76 H new ATOM 0 HE21 GLN A 75 5.156 -4.539 -2.668 1.00 0.86 H new ATOM 0 HE22 GLN A 75 5.748 -2.932 -2.235 1.00 0.86 H new ATOM 1129 N MET A 76 8.364 -9.267 0.759 1.00 0.55 N ATOM 1130 CA MET A 76 8.832 -10.636 0.560 1.00 0.66 C ATOM 1131 C MET A 76 7.877 -11.673 1.153 1.00 0.71 C ATOM 1132 O MET A 76 7.607 -12.696 0.524 1.00 0.83 O ATOM 1133 CB MET A 76 10.231 -10.820 1.145 1.00 0.87 C ATOM 1134 CG MET A 76 11.319 -10.137 0.328 1.00 1.02 C ATOM 1135 SD MET A 76 12.971 -10.747 0.715 1.00 1.03 S ATOM 1136 CE MET A 76 13.054 -10.393 2.467 1.00 0.64 C ATOM 0 H MET A 76 8.966 -8.699 1.356 1.00 0.55 H new ATOM 0 HA MET A 76 8.866 -10.801 -0.517 1.00 0.66 H new ATOM 0 HB2 MET A 76 10.247 -10.426 2.161 1.00 0.87 H new ATOM 0 HB3 MET A 76 10.452 -11.885 1.213 1.00 0.87 H new ATOM 0 HG2 MET A 76 11.120 -10.289 -0.733 1.00 1.02 H new ATOM 0 HG3 MET A 76 11.282 -9.063 0.508 1.00 1.02 H new ATOM 0 HE1 MET A 76 14.077 -10.529 2.818 1.00 0.64 H new ATOM 0 HE2 MET A 76 12.743 -9.364 2.645 1.00 0.64 H new ATOM 0 HE3 MET A 76 12.392 -11.071 3.007 1.00 0.64 H new ATOM 1240 N GLU A 83 -2.394 -3.351 1.917 1.00 7.37 N ATOM 1241 CA GLU A 83 -2.324 -1.895 1.954 1.00 8.31 C ATOM 1242 C GLU A 83 -3.722 -1.289 1.903 1.00 8.90 C ATOM 1243 O GLU A 83 -4.023 -0.330 2.614 1.00 9.79 O ATOM 1244 CB GLU A 83 -1.484 -1.375 0.787 1.00 8.42 C ATOM 1245 CG GLU A 83 -0.066 -1.922 0.771 1.00 8.14 C ATOM 1246 CD GLU A 83 0.736 -1.432 -0.419 1.00 8.51 C ATOM 1247 OE1 GLU A 83 1.361 -0.356 -0.311 1.00 8.45 O ATOM 1248 OE2 GLU A 83 0.736 -2.123 -1.459 1.00 9.06 O ATOM 0 HA GLU A 83 -1.851 -1.598 2.890 1.00 8.31 H new ATOM 0 HB2 GLU A 83 -1.976 -1.636 -0.150 1.00 8.42 H new ATOM 0 HB3 GLU A 83 -1.445 -0.287 0.834 1.00 8.42 H new ATOM 0 HG2 GLU A 83 0.442 -1.631 1.691 1.00 8.14 H new ATOM 0 HG3 GLU A 83 -0.101 -3.011 0.757 1.00 8.14 H new ATOM 1255 N GLU A 84 -4.571 -1.859 1.053 1.00 8.58 N ATOM 1256 CA GLU A 84 -5.941 -1.386 0.903 1.00 9.37 C ATOM 1257 C GLU A 84 -6.741 -1.647 2.175 1.00 9.77 C ATOM 1258 O GLU A 84 -7.637 -0.878 2.529 1.00 10.65 O ATOM 1259 CB GLU A 84 -6.606 -2.081 -0.289 1.00 9.24 C ATOM 1260 CG GLU A 84 -8.023 -1.607 -0.564 1.00 9.88 C ATOM 1261 CD GLU A 84 -8.095 -0.121 -0.861 1.00 10.30 C ATOM 1262 OE1 GLU A 84 -7.918 0.258 -2.038 1.00 10.72 O ATOM 1263 OE2 GLU A 84 -8.327 0.662 0.083 1.00 10.41 O ATOM 0 H GLU A 84 -4.332 -2.651 0.457 1.00 8.58 H new ATOM 0 HA GLU A 84 -5.920 -0.311 0.723 1.00 9.37 H new ATOM 0 HB2 GLU A 84 -5.999 -1.916 -1.179 1.00 9.24 H new ATOM 0 HB3 GLU A 84 -6.621 -3.156 -0.109 1.00 9.24 H new ATOM 0 HG2 GLU A 84 -8.430 -2.163 -1.409 1.00 9.88 H new ATOM 0 HG3 GLU A 84 -8.651 -1.832 0.298 1.00 9.88 H new ATOM 1270 N MET A 85 -6.405 -2.734 2.863 1.00 9.28 N ATOM 1271 CA MET A 85 -7.090 -3.100 4.094 1.00 9.90 C ATOM 1272 C MET A 85 -6.667 -2.181 5.232 1.00 10.59 C ATOM 1273 O MET A 85 -7.470 -1.837 6.098 1.00 11.45 O ATOM 1274 CB MET A 85 -6.794 -4.557 4.455 1.00 9.48 C ATOM 1275 CG MET A 85 -7.068 -5.530 3.321 1.00 8.93 C ATOM 1276 SD MET A 85 -6.379 -7.168 3.628 1.00 8.96 S ATOM 1277 CE MET A 85 -7.257 -7.630 5.119 1.00 9.60 C ATOM 0 H MET A 85 -5.662 -3.376 2.587 1.00 9.28 H new ATOM 0 HA MET A 85 -8.163 -2.989 3.937 1.00 9.90 H new ATOM 0 HB2 MET A 85 -5.749 -4.644 4.753 1.00 9.48 H new ATOM 0 HB3 MET A 85 -7.397 -4.839 5.318 1.00 9.48 H new ATOM 0 HG2 MET A 85 -8.145 -5.615 3.173 1.00 8.93 H new ATOM 0 HG3 MET A 85 -6.649 -5.132 2.397 1.00 8.93 H new ATOM 0 HE1 MET A 85 -7.105 -8.691 5.317 1.00 9.60 H new ATOM 0 HE2 MET A 85 -6.880 -7.046 5.959 1.00 9.60 H new ATOM 0 HE3 MET A 85 -8.321 -7.434 4.990 1.00 9.60 H new ATOM 1287 N ARG A 86 -5.398 -1.784 5.222 1.00 10.35 N ATOM 1288 CA ARG A 86 -4.873 -0.895 6.249 1.00 11.19 C ATOM 1289 C ARG A 86 -5.526 0.475 6.139 1.00 11.96 C ATOM 1290 O ARG A 86 -5.869 1.094 7.146 1.00 12.88 O ATOM 1291 CB ARG A 86 -3.355 -0.760 6.124 1.00 10.99 C ATOM 1292 CG ARG A 86 -2.718 -0.047 7.303 1.00 11.99 C ATOM 1293 CD ARG A 86 -1.267 0.312 7.025 1.00 12.13 C ATOM 1294 NE ARG A 86 -0.700 1.148 8.079 1.00 12.84 N ATOM 1295 CZ ARG A 86 0.280 0.754 8.888 1.00 13.32 C ATOM 1296 NH1 ARG A 86 0.794 -0.463 8.770 1.00 13.18 N ATOM 1297 NH2 ARG A 86 0.743 1.578 9.818 1.00 14.09 N ATOM 0 H ARG A 86 -4.717 -2.064 4.516 1.00 10.35 H new ATOM 0 HA ARG A 86 -5.103 -1.324 7.224 1.00 11.19 H new ATOM 0 HB2 ARG A 86 -2.915 -1.753 6.028 1.00 10.99 H new ATOM 0 HB3 ARG A 86 -3.119 -0.217 5.209 1.00 10.99 H new ATOM 0 HG2 ARG A 86 -3.281 0.859 7.528 1.00 11.99 H new ATOM 0 HG3 ARG A 86 -2.773 -0.683 8.186 1.00 11.99 H new ATOM 0 HD2 ARG A 86 -0.679 -0.601 6.930 1.00 12.13 H new ATOM 0 HD3 ARG A 86 -1.199 0.835 6.071 1.00 12.13 H new ATOM 0 HE ARG A 86 -1.077 2.088 8.202 1.00 12.84 H new ATOM 0 HH11 ARG A 86 0.438 -1.100 8.057 1.00 13.18 H new ATOM 0 HH12 ARG A 86 1.545 -0.762 9.392 1.00 13.18 H new ATOM 0 HH21 ARG A 86 0.348 2.514 9.913 1.00 14.09 H new ATOM 0 HH22 ARG A 86 1.494 1.276 10.438 1.00 14.09 H new ATOM 1311 N GLU A 87 -5.688 0.946 4.904 1.00 11.71 N ATOM 1312 CA GLU A 87 -6.315 2.236 4.662 1.00 12.58 C ATOM 1313 C GLU A 87 -7.728 2.237 5.226 1.00 13.20 C ATOM 1314 O GLU A 87 -8.137 3.179 5.903 1.00 14.14 O ATOM 1315 CB GLU A 87 -6.346 2.547 3.163 1.00 12.36 C ATOM 1316 CG GLU A 87 -6.823 3.955 2.843 1.00 12.89 C ATOM 1317 CD GLU A 87 -5.952 5.025 3.472 1.00 13.23 C ATOM 1318 OE1 GLU A 87 -6.243 5.431 4.617 1.00 13.47 O ATOM 1319 OE2 GLU A 87 -4.977 5.456 2.820 1.00 13.40 O ATOM 0 H GLU A 87 -5.394 0.453 4.061 1.00 11.71 H new ATOM 0 HA GLU A 87 -5.730 3.008 5.161 1.00 12.58 H new ATOM 0 HB2 GLU A 87 -5.346 2.409 2.751 1.00 12.36 H new ATOM 0 HB3 GLU A 87 -6.998 1.829 2.665 1.00 12.36 H new ATOM 0 HG2 GLU A 87 -6.837 4.093 1.762 1.00 12.89 H new ATOM 0 HG3 GLU A 87 -7.848 4.075 3.193 1.00 12.89 H new ATOM 1326 N ALA A 88 -8.468 1.164 4.946 1.00 12.78 N ATOM 1327 CA ALA A 88 -9.832 1.027 5.442 1.00 13.49 C ATOM 1328 C ALA A 88 -9.850 1.091 6.964 1.00 14.13 C ATOM 1329 O ALA A 88 -10.746 1.688 7.562 1.00 15.06 O ATOM 1330 CB ALA A 88 -10.444 -0.278 4.957 1.00 13.06 C ATOM 0 H ALA A 88 -8.144 0.380 4.379 1.00 12.78 H new ATOM 0 HA ALA A 88 -10.428 1.853 5.053 1.00 13.49 H new ATOM 0 HB1 ALA A 88 -11.462 -0.365 5.336 1.00 13.06 H new ATOM 0 HB2 ALA A 88 -10.460 -0.289 3.867 1.00 13.06 H new ATOM 0 HB3 ALA A 88 -9.849 -1.116 5.320 1.00 13.06 H new ATOM 1336 N PHE A 89 -8.849 0.468 7.584 1.00 13.73 N ATOM 1337 CA PHE A 89 -8.729 0.460 9.037 1.00 14.46 C ATOM 1338 C PHE A 89 -8.657 1.888 9.569 1.00 15.32 C ATOM 1339 O PHE A 89 -9.318 2.232 10.550 1.00 16.24 O ATOM 1340 CB PHE A 89 -7.482 -0.332 9.455 1.00 14.00 C ATOM 1341 CG PHE A 89 -6.974 0.001 10.831 1.00 14.89 C ATOM 1342 CD1 PHE A 89 -7.520 -0.600 11.951 1.00 15.46 C ATOM 1343 CD2 PHE A 89 -5.943 0.913 10.999 1.00 15.30 C ATOM 1344 CE1 PHE A 89 -7.051 -0.297 13.214 1.00 16.38 C ATOM 1345 CE2 PHE A 89 -5.471 1.220 12.259 1.00 16.22 C ATOM 1346 CZ PHE A 89 -6.025 0.614 13.369 1.00 16.75 C ATOM 0 H PHE A 89 -8.108 -0.039 7.099 1.00 13.73 H new ATOM 0 HA PHE A 89 -9.609 -0.022 9.462 1.00 14.46 H new ATOM 0 HB2 PHE A 89 -7.710 -1.397 9.412 1.00 14.00 H new ATOM 0 HB3 PHE A 89 -6.688 -0.146 8.732 1.00 14.00 H new ATOM 0 HD1 PHE A 89 -8.322 -1.314 11.836 1.00 15.46 H new ATOM 0 HD2 PHE A 89 -5.504 1.388 10.134 1.00 15.30 H new ATOM 0 HE1 PHE A 89 -7.487 -0.772 14.080 1.00 16.38 H new ATOM 0 HE2 PHE A 89 -4.669 1.934 12.377 1.00 16.22 H new ATOM 0 HZ PHE A 89 -5.657 0.852 14.356 1.00 16.75 H new ATOM 1356 N LYS A 90 -7.847 2.710 8.912 1.00 15.11 N ATOM 1357 CA LYS A 90 -7.684 4.104 9.305 1.00 16.01 C ATOM 1358 C LYS A 90 -9.010 4.851 9.208 1.00 16.75 C ATOM 1359 O LYS A 90 -9.340 5.664 10.070 1.00 17.70 O ATOM 1360 CB LYS A 90 -6.635 4.786 8.425 1.00 15.74 C ATOM 1361 CG LYS A 90 -5.245 4.185 8.554 1.00 15.19 C ATOM 1362 CD LYS A 90 -4.252 4.883 7.647 1.00 15.14 C ATOM 1363 CE LYS A 90 -2.898 4.190 7.659 1.00 14.45 C ATOM 1364 NZ LYS A 90 -2.277 4.205 9.012 1.00 14.90 N ATOM 0 H LYS A 90 -7.291 2.434 8.102 1.00 15.11 H new ATOM 0 HA LYS A 90 -7.347 4.128 10.341 1.00 16.01 H new ATOM 0 HB2 LYS A 90 -6.952 4.726 7.384 1.00 15.74 H new ATOM 0 HB3 LYS A 90 -6.589 5.844 8.683 1.00 15.74 H new ATOM 0 HG2 LYS A 90 -4.910 4.260 9.588 1.00 15.19 H new ATOM 0 HG3 LYS A 90 -5.282 3.124 8.307 1.00 15.19 H new ATOM 0 HD2 LYS A 90 -4.641 4.904 6.629 1.00 15.14 H new ATOM 0 HD3 LYS A 90 -4.134 5.919 7.965 1.00 15.14 H new ATOM 0 HE2 LYS A 90 -3.015 3.159 7.325 1.00 14.45 H new ATOM 0 HE3 LYS A 90 -2.233 4.681 6.949 1.00 14.45 H new ATOM 0 HZ1 LYS A 90 -1.278 3.927 8.938 1.00 14.90 H new ATOM 0 HZ2 LYS A 90 -2.341 5.162 9.413 1.00 14.90 H new ATOM 0 HZ3 LYS A 90 -2.778 3.536 9.631 1.00 14.90 H new ATOM 1378 N ILE A 91 -9.764 4.570 8.149 1.00 16.40 N ATOM 1379 CA ILE A 91 -11.057 5.206 7.936 1.00 17.17 C ATOM 1380 C ILE A 91 -12.014 4.896 9.081 1.00 17.84 C ATOM 1381 O ILE A 91 -12.807 5.745 9.489 1.00 18.78 O ATOM 1382 CB ILE A 91 -11.691 4.738 6.612 1.00 16.77 C ATOM 1383 CG1 ILE A 91 -10.730 4.992 5.446 1.00 16.16 C ATOM 1384 CG2 ILE A 91 -13.027 5.432 6.380 1.00 17.75 C ATOM 1385 CD1 ILE A 91 -10.467 6.459 5.172 1.00 16.20 C ATOM 0 H ILE A 91 -9.499 3.904 7.424 1.00 16.40 H new ATOM 0 HA ILE A 91 -10.884 6.281 7.893 1.00 17.17 H new ATOM 0 HB ILE A 91 -11.878 3.666 6.675 1.00 16.77 H new ATOM 0 HG12 ILE A 91 -9.782 4.497 5.655 1.00 16.16 H new ATOM 0 HG13 ILE A 91 -11.138 4.532 4.546 1.00 16.16 H new ATOM 0 HG21 ILE A 91 -13.458 5.087 5.440 1.00 17.75 H new ATOM 0 HG22 ILE A 91 -13.707 5.196 7.199 1.00 17.75 H new ATOM 0 HG23 ILE A 91 -12.874 6.510 6.335 1.00 17.75 H new ATOM 0 HD11 ILE A 91 -9.778 6.555 4.333 1.00 16.20 H new ATOM 0 HD12 ILE A 91 -11.405 6.958 4.929 1.00 16.20 H new ATOM 0 HD13 ILE A 91 -10.028 6.921 6.056 1.00 16.20 H new ATOM 1397 N PHE A 92 -11.931 3.674 9.595 1.00 17.43 N ATOM 1398 CA PHE A 92 -12.792 3.245 10.688 1.00 18.14 C ATOM 1399 C PHE A 92 -12.348 3.837 12.020 1.00 18.80 C ATOM 1400 O PHE A 92 -13.082 3.769 13.003 1.00 19.63 O ATOM 1401 CB PHE A 92 -12.852 1.718 10.770 1.00 17.63 C ATOM 1402 CG PHE A 92 -13.894 1.124 9.862 1.00 17.41 C ATOM 1403 CD1 PHE A 92 -15.225 1.497 9.982 1.00 17.64 C ATOM 1404 CD2 PHE A 92 -13.546 0.205 8.887 1.00 17.12 C ATOM 1405 CE1 PHE A 92 -16.187 0.967 9.147 1.00 17.60 C ATOM 1406 CE2 PHE A 92 -14.506 -0.333 8.049 1.00 17.07 C ATOM 1407 CZ PHE A 92 -15.828 0.048 8.178 1.00 17.34 C ATOM 0 H PHE A 92 -11.275 2.963 9.271 1.00 17.43 H new ATOM 0 HA PHE A 92 -13.794 3.619 10.478 1.00 18.14 H new ATOM 0 HB2 PHE A 92 -11.876 1.307 10.513 1.00 17.63 H new ATOM 0 HB3 PHE A 92 -13.062 1.422 11.798 1.00 17.63 H new ATOM 0 HD1 PHE A 92 -15.512 2.212 10.739 1.00 17.64 H new ATOM 0 HD2 PHE A 92 -12.514 -0.095 8.779 1.00 17.12 H new ATOM 0 HE1 PHE A 92 -17.219 1.269 9.250 1.00 17.60 H new ATOM 0 HE2 PHE A 92 -14.222 -1.051 7.294 1.00 17.07 H new ATOM 0 HZ PHE A 92 -16.579 -0.371 7.524 1.00 17.34 H new ATOM 1417 N ASP A 93 -11.144 4.404 12.054 1.00 18.51 N ATOM 1418 CA ASP A 93 -10.627 5.005 13.280 1.00 19.23 C ATOM 1419 C ASP A 93 -10.389 6.503 13.107 1.00 19.92 C ATOM 1420 O ASP A 93 -9.495 6.924 12.372 1.00 19.65 O ATOM 1421 CB ASP A 93 -9.334 4.313 13.713 1.00 18.69 C ATOM 1422 CG ASP A 93 -9.092 4.442 15.205 1.00 19.57 C ATOM 1423 OD1 ASP A 93 -9.886 3.886 15.992 1.00 20.02 O ATOM 1424 OD2 ASP A 93 -8.101 5.094 15.586 1.00 19.89 O ATOM 0 H ASP A 93 -10.513 4.460 11.254 1.00 18.51 H new ATOM 0 HA ASP A 93 -11.379 4.869 14.058 1.00 19.23 H new ATOM 0 HB2 ASP A 93 -9.380 3.258 13.443 1.00 18.69 H new ATOM 0 HB3 ASP A 93 -8.493 4.745 13.171 1.00 18.69 H new ATOM 1429 N ARG A 94 -11.198 7.296 13.800 1.00 20.90 N ATOM 1430 CA ARG A 94 -11.102 8.748 13.748 1.00 21.70 C ATOM 1431 C ARG A 94 -9.771 9.214 14.334 1.00 22.13 C ATOM 1432 O ARG A 94 -9.216 10.225 13.902 1.00 22.63 O ATOM 1433 CB ARG A 94 -12.254 9.372 14.541 1.00 22.67 C ATOM 1434 CG ARG A 94 -13.498 9.709 13.719 1.00 22.53 C ATOM 1435 CD ARG A 94 -14.201 8.498 13.115 1.00 22.13 C ATOM 1436 NE ARG A 94 -13.695 7.230 13.604 1.00 22.41 N ATOM 1437 CZ ARG A 94 -14.304 6.504 14.526 1.00 22.68 C ATOM 1438 NH1 ARG A 94 -15.415 6.944 15.101 1.00 22.72 N ATOM 1439 NH2 ARG A 94 -13.796 5.339 14.879 1.00 23.01 N ATOM 0 H ARG A 94 -11.937 6.950 14.412 1.00 20.90 H new ATOM 0 HA ARG A 94 -11.161 9.064 12.707 1.00 21.70 H new ATOM 0 HB2 ARG A 94 -12.539 8.686 15.339 1.00 22.67 H new ATOM 0 HB3 ARG A 94 -11.894 10.284 15.018 1.00 22.67 H new ATOM 0 HG2 ARG A 94 -14.204 10.244 14.354 1.00 22.53 H new ATOM 0 HG3 ARG A 94 -13.214 10.388 12.915 1.00 22.53 H new ATOM 0 HD2 ARG A 94 -15.267 8.562 13.331 1.00 22.13 H new ATOM 0 HD3 ARG A 94 -14.093 8.529 12.031 1.00 22.13 H new ATOM 0 HE ARG A 94 -12.820 6.878 13.215 1.00 22.41 H new ATOM 0 HH11 ARG A 94 -15.805 7.848 14.833 1.00 22.72 H new ATOM 0 HH12 ARG A 94 -15.880 6.379 15.812 1.00 22.72 H new ATOM 0 HH21 ARG A 94 -12.938 5.003 14.441 1.00 23.01 H new ATOM 0 HH22 ARG A 94 -14.261 4.774 15.590 1.00 23.01 H new ATOM 1453 N ASP A 95 -9.262 8.477 15.318 1.00 22.06 N ATOM 1454 CA ASP A 95 -8.000 8.834 15.962 1.00 22.57 C ATOM 1455 C ASP A 95 -6.815 8.172 15.268 1.00 21.80 C ATOM 1456 O ASP A 95 -6.976 7.204 14.525 1.00 20.81 O ATOM 1457 CB ASP A 95 -8.008 8.421 17.435 1.00 23.28 C ATOM 1458 CG ASP A 95 -9.394 8.435 18.045 1.00 23.89 C ATOM 1459 OD1 ASP A 95 -10.054 9.493 17.976 1.00 24.34 O ATOM 1460 OD2 ASP A 95 -9.819 7.394 18.586 1.00 24.00 O ATOM 0 H ASP A 95 -9.701 7.633 15.686 1.00 22.06 H new ATOM 0 HA ASP A 95 -7.895 9.916 15.886 1.00 22.57 H new ATOM 0 HB2 ASP A 95 -7.586 7.420 17.529 1.00 23.28 H new ATOM 0 HB3 ASP A 95 -7.362 9.094 17.999 1.00 23.28 H new ATOM 1465 N GLY A 96 -5.627 8.711 15.517 1.00 22.31 N ATOM 1466 CA GLY A 96 -4.419 8.163 14.932 1.00 21.77 C ATOM 1467 C GLY A 96 -3.655 7.298 15.917 1.00 21.93 C ATOM 1468 O GLY A 96 -2.548 6.843 15.624 1.00 21.68 O ATOM 0 H GLY A 96 -5.479 9.522 16.117 1.00 22.31 H new ATOM 0 HA2 GLY A 96 -4.677 7.571 14.054 1.00 21.77 H new ATOM 0 HA3 GLY A 96 -3.779 8.977 14.591 1.00 21.77 H new ATOM 1472 N ASP A 97 -4.249 7.081 17.090 1.00 22.44 N ATOM 1473 CA ASP A 97 -3.626 6.276 18.138 1.00 22.79 C ATOM 1474 C ASP A 97 -3.108 4.950 17.587 1.00 21.82 C ATOM 1475 O ASP A 97 -1.995 4.531 17.904 1.00 22.02 O ATOM 1476 CB ASP A 97 -4.620 6.022 19.276 1.00 23.40 C ATOM 1477 CG ASP A 97 -5.769 5.123 18.864 1.00 22.73 C ATOM 1478 OD1 ASP A 97 -6.591 5.558 18.029 1.00 22.35 O ATOM 1479 OD2 ASP A 97 -5.847 3.983 19.370 1.00 22.66 O ATOM 0 H ASP A 97 -5.165 7.454 17.338 1.00 22.44 H new ATOM 0 HA ASP A 97 -2.775 6.835 18.526 1.00 22.79 H new ATOM 0 HB2 ASP A 97 -4.094 5.570 20.117 1.00 23.40 H new ATOM 0 HB3 ASP A 97 -5.018 6.975 19.624 1.00 23.40 H new ATOM 1484 N GLY A 98 -3.919 4.293 16.761 1.00 20.85 N ATOM 1485 CA GLY A 98 -3.512 3.028 16.178 1.00 19.90 C ATOM 1486 C GLY A 98 -4.463 1.892 16.503 1.00 19.67 C ATOM 1487 O GLY A 98 -4.262 0.763 16.054 1.00 18.98 O ATOM 0 H GLY A 98 -4.848 4.614 16.486 1.00 20.85 H new ATOM 0 HA2 GLY A 98 -3.443 3.138 15.096 1.00 19.90 H new ATOM 0 HA3 GLY A 98 -2.515 2.773 16.536 1.00 19.90 H new ATOM 1491 N PHE A 99 -5.500 2.183 17.286 1.00 20.36 N ATOM 1492 CA PHE A 99 -6.478 1.165 17.660 1.00 20.37 C ATOM 1493 C PHE A 99 -7.900 1.727 17.611 1.00 20.60 C ATOM 1494 O PHE A 99 -8.105 2.938 17.732 1.00 21.08 O ATOM 1495 CB PHE A 99 -6.182 0.606 19.057 1.00 21.34 C ATOM 1496 CG PHE A 99 -4.717 0.414 19.338 1.00 21.51 C ATOM 1497 CD1 PHE A 99 -3.966 1.442 19.881 1.00 21.38 C ATOM 1498 CD2 PHE A 99 -4.094 -0.793 19.060 1.00 21.92 C ATOM 1499 CE1 PHE A 99 -2.620 1.273 20.142 1.00 21.65 C ATOM 1500 CE2 PHE A 99 -2.748 -0.968 19.318 1.00 22.21 C ATOM 1501 CZ PHE A 99 -2.011 0.049 19.858 1.00 22.08 C ATOM 0 H PHE A 99 -5.684 3.109 17.671 1.00 20.36 H new ATOM 0 HA PHE A 99 -6.400 0.353 16.937 1.00 20.37 H new ATOM 0 HB2 PHE A 99 -6.600 1.281 19.804 1.00 21.34 H new ATOM 0 HB3 PHE A 99 -6.692 -0.350 19.171 1.00 21.34 H new ATOM 0 HD1 PHE A 99 -4.438 2.388 20.103 1.00 21.38 H new ATOM 0 HD2 PHE A 99 -4.667 -1.605 18.637 1.00 21.92 H new ATOM 0 HE1 PHE A 99 -2.042 2.083 20.563 1.00 21.65 H new ATOM 0 HE2 PHE A 99 -2.276 -1.913 19.092 1.00 22.21 H new ATOM 0 HZ PHE A 99 -0.961 -0.094 20.064 1.00 22.08 H new ATOM 1511 N ILE A 100 -8.882 0.840 17.433 1.00 20.36 N ATOM 1512 CA ILE A 100 -10.280 1.253 17.358 1.00 20.66 C ATOM 1513 C ILE A 100 -11.089 0.724 18.540 1.00 21.62 C ATOM 1514 O ILE A 100 -10.834 -0.368 19.045 1.00 21.77 O ATOM 1515 CB ILE A 100 -10.940 0.763 16.052 1.00 19.72 C ATOM 1516 CG1 ILE A 100 -9.980 0.927 14.871 1.00 18.71 C ATOM 1517 CG2 ILE A 100 -12.237 1.524 15.799 1.00 20.15 C ATOM 1518 CD1 ILE A 100 -10.512 0.358 13.573 1.00 17.74 C ATOM 0 H ILE A 100 -8.733 -0.165 17.339 1.00 20.36 H new ATOM 0 HA ILE A 100 -10.280 2.343 17.382 1.00 20.66 H new ATOM 0 HB ILE A 100 -11.174 -0.296 16.156 1.00 19.72 H new ATOM 0 HG12 ILE A 100 -9.766 1.987 14.732 1.00 18.71 H new ATOM 0 HG13 ILE A 100 -9.035 0.439 15.111 1.00 18.71 H new ATOM 0 HG21 ILE A 100 -12.693 1.169 14.875 1.00 20.15 H new ATOM 0 HG22 ILE A 100 -12.924 1.359 16.629 1.00 20.15 H new ATOM 0 HG23 ILE A 100 -12.023 2.589 15.712 1.00 20.15 H new ATOM 0 HD11 ILE A 100 -9.779 0.510 12.781 1.00 17.74 H new ATOM 0 HD12 ILE A 100 -10.700 -0.709 13.693 1.00 17.74 H new ATOM 0 HD13 ILE A 100 -11.441 0.862 13.309 1.00 17.74 H new ATOM 1530 N SER A 101 -12.071 1.512 18.966 1.00 22.35 N ATOM 1531 CA SER A 101 -12.941 1.143 20.078 1.00 23.35 C ATOM 1532 C SER A 101 -14.370 0.945 19.578 1.00 23.43 C ATOM 1533 O SER A 101 -14.731 1.480 18.535 1.00 22.96 O ATOM 1534 CB SER A 101 -12.904 2.217 21.168 1.00 24.38 C ATOM 1535 OG SER A 101 -13.346 3.468 20.670 1.00 24.61 O ATOM 0 H SER A 101 -12.286 2.420 18.553 1.00 22.35 H new ATOM 0 HA SER A 101 -12.583 0.207 20.506 1.00 23.35 H new ATOM 0 HB2 SER A 101 -13.534 1.912 22.004 1.00 24.38 H new ATOM 0 HB3 SER A 101 -11.889 2.314 21.553 1.00 24.38 H new ATOM 0 HG SER A 101 -12.580 3.970 20.320 1.00 24.61 H new ATOM 1541 N PRO A 102 -15.205 0.174 20.298 1.00 24.11 N ATOM 1542 CA PRO A 102 -16.588 -0.083 19.878 1.00 24.36 C ATOM 1543 C PRO A 102 -17.354 1.207 19.606 1.00 24.64 C ATOM 1544 O PRO A 102 -18.052 1.323 18.598 1.00 24.44 O ATOM 1545 CB PRO A 102 -17.194 -0.838 21.061 1.00 25.42 C ATOM 1546 CG PRO A 102 -16.028 -1.442 21.765 1.00 25.38 C ATOM 1547 CD PRO A 102 -14.893 -0.473 21.583 1.00 24.81 C ATOM 0 HA PRO A 102 -16.634 -0.642 18.943 1.00 24.36 H new ATOM 0 HB2 PRO A 102 -17.748 -0.166 21.717 1.00 25.42 H new ATOM 0 HB3 PRO A 102 -17.893 -1.604 20.725 1.00 25.42 H new ATOM 0 HG2 PRO A 102 -16.246 -1.595 22.822 1.00 25.38 H new ATOM 0 HG3 PRO A 102 -15.781 -2.417 21.346 1.00 25.38 H new ATOM 0 HD2 PRO A 102 -14.847 0.250 22.397 1.00 24.81 H new ATOM 0 HD3 PRO A 102 -13.930 -0.982 21.554 1.00 24.81 H new ATOM 1555 N ALA A 103 -17.217 2.176 20.508 1.00 25.18 N ATOM 1556 CA ALA A 103 -17.892 3.463 20.351 1.00 25.58 C ATOM 1557 C ALA A 103 -17.393 4.175 19.097 1.00 24.70 C ATOM 1558 O ALA A 103 -18.127 4.926 18.454 1.00 24.78 O ATOM 1559 CB ALA A 103 -17.670 4.330 21.579 1.00 26.36 C ATOM 0 H ALA A 103 -16.648 2.096 21.351 1.00 25.18 H new ATOM 0 HA ALA A 103 -18.962 3.284 20.244 1.00 25.58 H new ATOM 0 HB1 ALA A 103 -18.179 5.285 21.447 1.00 26.36 H new ATOM 0 HB2 ALA A 103 -18.069 3.825 22.458 1.00 26.36 H new ATOM 0 HB3 ALA A 103 -16.602 4.503 21.714 1.00 26.36 H new ATOM 1565 N GLU A 104 -16.136 3.914 18.760 1.00 23.94 N ATOM 1566 CA GLU A 104 -15.504 4.502 17.587 1.00 23.10 C ATOM 1567 C GLU A 104 -16.011 3.811 16.329 1.00 22.34 C ATOM 1568 O GLU A 104 -16.343 4.453 15.332 1.00 22.06 O ATOM 1569 CB GLU A 104 -13.983 4.347 17.691 1.00 22.54 C ATOM 1570 CG GLU A 104 -13.277 5.546 18.296 1.00 23.20 C ATOM 1571 CD GLU A 104 -11.769 5.454 18.162 1.00 22.77 C ATOM 1572 OE1 GLU A 104 -11.244 5.845 17.099 1.00 22.57 O ATOM 1573 OE2 GLU A 104 -11.111 4.990 19.117 1.00 22.70 O ATOM 0 H GLU A 104 -15.528 3.290 19.291 1.00 23.94 H new ATOM 0 HA GLU A 104 -15.753 5.562 17.535 1.00 23.10 H new ATOM 0 HB2 GLU A 104 -13.759 3.466 18.292 1.00 22.54 H new ATOM 0 HB3 GLU A 104 -13.578 4.165 16.695 1.00 22.54 H new ATOM 0 HG2 GLU A 104 -13.628 6.456 17.809 1.00 23.20 H new ATOM 0 HG3 GLU A 104 -13.542 5.627 19.350 1.00 23.20 H new ATOM 1580 N LEU A 105 -16.079 2.491 16.405 1.00 22.13 N ATOM 1581 CA LEU A 105 -16.537 1.668 15.300 1.00 21.50 C ATOM 1582 C LEU A 105 -18.011 1.937 15.017 1.00 22.09 C ATOM 1583 O LEU A 105 -18.472 1.822 13.883 1.00 21.66 O ATOM 1584 CB LEU A 105 -16.318 0.194 15.651 1.00 21.47 C ATOM 1585 CG LEU A 105 -16.296 -0.770 14.469 1.00 20.64 C ATOM 1586 CD1 LEU A 105 -15.556 -2.044 14.841 1.00 20.35 C ATOM 1587 CD2 LEU A 105 -17.708 -1.090 14.019 1.00 20.76 C ATOM 0 H LEU A 105 -15.818 1.961 17.236 1.00 22.13 H new ATOM 0 HA LEU A 105 -15.970 1.913 14.402 1.00 21.50 H new ATOM 0 HB2 LEU A 105 -15.374 0.104 16.188 1.00 21.47 H new ATOM 0 HB3 LEU A 105 -17.106 -0.118 16.337 1.00 21.47 H new ATOM 0 HG LEU A 105 -15.771 -0.292 13.642 1.00 20.64 H new ATOM 0 HD11 LEU A 105 -15.548 -2.723 13.988 1.00 20.35 H new ATOM 0 HD12 LEU A 105 -14.531 -1.801 15.121 1.00 20.35 H new ATOM 0 HD13 LEU A 105 -16.057 -2.524 15.682 1.00 20.35 H new ATOM 0 HD21 LEU A 105 -17.674 -1.779 13.175 1.00 20.76 H new ATOM 0 HD22 LEU A 105 -18.256 -1.550 14.841 1.00 20.76 H new ATOM 0 HD23 LEU A 105 -18.211 -0.171 13.717 1.00 20.76 H new ATOM 1599 N ARG A 106 -18.736 2.314 16.061 1.00 23.15 N ATOM 1600 CA ARG A 106 -20.156 2.602 15.955 1.00 23.87 C ATOM 1601 C ARG A 106 -20.385 3.882 15.163 1.00 23.93 C ATOM 1602 O ARG A 106 -21.165 3.903 14.215 1.00 24.00 O ATOM 1603 CB ARG A 106 -20.752 2.728 17.359 1.00 25.01 C ATOM 1604 CG ARG A 106 -22.264 2.597 17.410 1.00 25.84 C ATOM 1605 CD ARG A 106 -22.958 3.900 17.057 1.00 26.70 C ATOM 1606 NE ARG A 106 -24.390 3.848 17.335 1.00 27.44 N ATOM 1607 CZ ARG A 106 -25.081 4.868 17.835 1.00 28.28 C ATOM 1608 NH1 ARG A 106 -24.473 6.016 18.105 1.00 28.51 N ATOM 1609 NH2 ARG A 106 -26.380 4.740 18.069 1.00 28.96 N ATOM 0 H ARG A 106 -18.357 2.428 17.001 1.00 23.15 H new ATOM 0 HA ARG A 106 -20.649 1.786 15.426 1.00 23.87 H new ATOM 0 HB2 ARG A 106 -20.311 1.963 17.998 1.00 25.01 H new ATOM 0 HB3 ARG A 106 -20.468 3.694 17.776 1.00 25.01 H new ATOM 0 HG2 ARG A 106 -22.584 1.817 16.720 1.00 25.84 H new ATOM 0 HG3 ARG A 106 -22.568 2.283 18.409 1.00 25.84 H new ATOM 0 HD2 ARG A 106 -22.508 4.716 17.623 1.00 26.70 H new ATOM 0 HD3 ARG A 106 -22.801 4.120 16.001 1.00 26.70 H new ATOM 0 HE ARG A 106 -24.888 2.981 17.135 1.00 27.44 H new ATOM 0 HH11 ARG A 106 -23.473 6.117 17.929 1.00 28.51 H new ATOM 0 HH12 ARG A 106 -25.005 6.797 18.489 1.00 28.51 H new ATOM 0 HH21 ARG A 106 -26.850 3.858 17.865 1.00 28.96 H new ATOM 0 HH22 ARG A 106 -26.909 5.523 18.453 1.00 28.96 H new ATOM 1623 N PHE A 107 -19.691 4.944 15.559 1.00 24.01 N ATOM 1624 CA PHE A 107 -19.813 6.238 14.897 1.00 24.21 C ATOM 1625 C PHE A 107 -19.565 6.136 13.391 1.00 23.32 C ATOM 1626 O PHE A 107 -20.405 6.543 12.588 1.00 23.61 O ATOM 1627 CB PHE A 107 -18.829 7.235 15.519 1.00 24.45 C ATOM 1628 CG PHE A 107 -18.717 8.534 14.768 1.00 25.01 C ATOM 1629 CD1 PHE A 107 -17.790 8.680 13.749 1.00 25.30 C ATOM 1630 CD2 PHE A 107 -19.536 9.606 15.084 1.00 25.33 C ATOM 1631 CE1 PHE A 107 -17.681 9.871 13.057 1.00 25.91 C ATOM 1632 CE2 PHE A 107 -19.431 10.801 14.396 1.00 25.94 C ATOM 1633 CZ PHE A 107 -18.503 10.933 13.382 1.00 26.22 C ATOM 0 H PHE A 107 -19.035 4.933 16.340 1.00 24.01 H new ATOM 0 HA PHE A 107 -20.835 6.587 15.041 1.00 24.21 H new ATOM 0 HB2 PHE A 107 -19.139 7.445 16.543 1.00 24.45 H new ATOM 0 HB3 PHE A 107 -17.844 6.772 15.572 1.00 24.45 H new ATOM 0 HD1 PHE A 107 -17.145 7.853 13.492 1.00 25.30 H new ATOM 0 HD2 PHE A 107 -20.264 9.507 15.876 1.00 25.33 H new ATOM 0 HE1 PHE A 107 -16.955 9.972 12.264 1.00 25.91 H new ATOM 0 HE2 PHE A 107 -20.074 11.630 14.651 1.00 25.94 H new ATOM 0 HZ PHE A 107 -18.420 11.865 12.843 1.00 26.22 H new ATOM 1643 N VAL A 108 -18.412 5.592 13.017 1.00 22.31 N ATOM 1644 CA VAL A 108 -18.046 5.469 11.606 1.00 21.42 C ATOM 1645 C VAL A 108 -19.037 4.630 10.798 1.00 21.31 C ATOM 1646 O VAL A 108 -19.483 5.054 9.737 1.00 21.31 O ATOM 1647 CB VAL A 108 -16.639 4.882 11.427 1.00 20.36 C ATOM 1648 CG1 VAL A 108 -16.473 3.676 12.316 1.00 19.77 C ATOM 1649 CG2 VAL A 108 -16.391 4.539 9.964 1.00 20.26 C ATOM 0 H VAL A 108 -17.715 5.229 13.667 1.00 22.31 H new ATOM 0 HA VAL A 108 -18.068 6.489 11.221 1.00 21.42 H new ATOM 0 HB VAL A 108 -15.896 5.624 11.720 1.00 20.36 H new ATOM 0 HG11 VAL A 108 -15.473 3.263 12.186 1.00 19.77 H new ATOM 0 HG12 VAL A 108 -16.612 3.969 13.357 1.00 19.77 H new ATOM 0 HG13 VAL A 108 -17.214 2.923 12.050 1.00 19.77 H new ATOM 0 HG21 VAL A 108 -15.389 4.124 9.852 1.00 20.26 H new ATOM 0 HG22 VAL A 108 -17.127 3.806 9.632 1.00 20.26 H new ATOM 0 HG23 VAL A 108 -16.479 5.441 9.359 1.00 20.26 H new ATOM 1659 N MET A 109 -19.373 3.441 11.292 1.00 21.33 N ATOM 1660 CA MET A 109 -20.292 2.557 10.579 1.00 21.35 C ATOM 1661 C MET A 109 -21.569 3.285 10.173 1.00 22.24 C ATOM 1662 O MET A 109 -22.146 3.001 9.123 1.00 22.21 O ATOM 1663 CB MET A 109 -20.626 1.334 11.429 1.00 21.65 C ATOM 1664 CG MET A 109 -19.509 0.304 11.475 1.00 20.93 C ATOM 1665 SD MET A 109 -19.200 -0.463 9.872 1.00 20.76 S ATOM 1666 CE MET A 109 -20.746 -1.328 9.608 1.00 21.25 C ATOM 0 H MET A 109 -19.026 3.069 12.176 1.00 21.33 H new ATOM 0 HA MET A 109 -19.792 2.228 9.668 1.00 21.35 H new ATOM 0 HB2 MET A 109 -20.852 1.658 12.445 1.00 21.65 H new ATOM 0 HB3 MET A 109 -21.527 0.864 11.036 1.00 21.65 H new ATOM 0 HG2 MET A 109 -18.595 0.782 11.826 1.00 20.93 H new ATOM 0 HG3 MET A 109 -19.763 -0.469 12.200 1.00 20.93 H new ATOM 0 HE1 MET A 109 -20.775 -1.719 8.591 1.00 21.25 H new ATOM 0 HE2 MET A 109 -20.827 -2.152 10.317 1.00 21.25 H new ATOM 0 HE3 MET A 109 -21.578 -0.639 9.755 1.00 21.25 H new ATOM 1676 N ILE A 110 -22.008 4.223 11.005 1.00 23.11 N ATOM 1677 CA ILE A 110 -23.210 4.993 10.711 1.00 24.06 C ATOM 1678 C ILE A 110 -22.994 5.855 9.471 1.00 23.82 C ATOM 1679 O ILE A 110 -23.919 6.090 8.693 1.00 24.33 O ATOM 1680 CB ILE A 110 -23.609 5.889 11.900 1.00 25.05 C ATOM 1681 CG1 ILE A 110 -23.829 5.032 13.149 1.00 25.40 C ATOM 1682 CG2 ILE A 110 -24.862 6.690 11.566 1.00 26.06 C ATOM 1683 CD1 ILE A 110 -24.185 5.830 14.384 1.00 26.28 C ATOM 0 H ILE A 110 -21.552 4.467 11.884 1.00 23.11 H new ATOM 0 HA ILE A 110 -24.019 4.286 10.528 1.00 24.06 H new ATOM 0 HB ILE A 110 -22.801 6.593 12.100 1.00 25.05 H new ATOM 0 HG12 ILE A 110 -24.625 4.314 12.950 1.00 25.40 H new ATOM 0 HG13 ILE A 110 -22.924 4.457 13.348 1.00 25.40 H new ATOM 0 HG21 ILE A 110 -25.130 7.317 12.416 1.00 26.06 H new ATOM 0 HG22 ILE A 110 -24.671 7.319 10.697 1.00 26.06 H new ATOM 0 HG23 ILE A 110 -25.683 6.007 11.346 1.00 26.06 H new ATOM 0 HD11 ILE A 110 -24.325 5.153 15.227 1.00 26.28 H new ATOM 0 HD12 ILE A 110 -23.380 6.529 14.610 1.00 26.28 H new ATOM 0 HD13 ILE A 110 -25.107 6.384 14.206 1.00 26.28 H new ATOM 1695 N ASN A 111 -21.761 6.317 9.298 1.00 23.14 N ATOM 1696 CA ASN A 111 -21.394 7.141 8.152 1.00 22.94 C ATOM 1697 C ASN A 111 -21.530 6.354 6.854 1.00 22.38 C ATOM 1698 O ASN A 111 -22.105 6.838 5.878 1.00 22.72 O ATOM 1699 CB ASN A 111 -19.955 7.641 8.301 1.00 22.34 C ATOM 1700 CG ASN A 111 -19.782 8.563 9.492 1.00 23.08 C ATOM 1701 OD1 ASN A 111 -20.474 8.432 10.501 1.00 23.74 O ATOM 1702 ND2 ASN A 111 -18.852 9.505 9.379 1.00 23.04 N ATOM 0 H ASN A 111 -20.992 6.133 9.943 1.00 23.14 H new ATOM 0 HA ASN A 111 -22.071 7.994 8.116 1.00 22.94 H new ATOM 0 HB2 ASN A 111 -19.286 6.787 8.406 1.00 22.34 H new ATOM 0 HB3 ASN A 111 -19.660 8.167 7.393 1.00 22.34 H new ATOM 0 HD21 ASN A 111 -18.689 10.156 10.147 1.00 23.04 H new ATOM 0 HD22 ASN A 111 -18.301 9.578 8.524 1.00 23.04 H new ATOM 1709 N LEU A 112 -20.991 5.137 6.850 1.00 21.58 N ATOM 1710 CA LEU A 112 -21.045 4.273 5.677 1.00 21.04 C ATOM 1711 C LEU A 112 -22.487 4.030 5.249 1.00 21.87 C ATOM 1712 O LEU A 112 -22.778 3.869 4.064 1.00 21.84 O ATOM 1713 CB LEU A 112 -20.351 2.940 5.963 1.00 20.05 C ATOM 1714 CG LEU A 112 -18.825 3.008 6.074 1.00 19.21 C ATOM 1715 CD1 LEU A 112 -18.402 3.750 7.331 1.00 19.02 C ATOM 1716 CD2 LEU A 112 -18.224 1.611 6.054 1.00 18.68 C ATOM 0 H LEU A 112 -20.510 4.727 7.651 1.00 21.58 H new ATOM 0 HA LEU A 112 -20.523 4.775 4.863 1.00 21.04 H new ATOM 0 HB2 LEU A 112 -20.749 2.534 6.893 1.00 20.05 H new ATOM 0 HB3 LEU A 112 -20.610 2.237 5.172 1.00 20.05 H new ATOM 0 HG LEU A 112 -18.450 3.560 5.212 1.00 19.21 H new ATOM 0 HD11 LEU A 112 -17.314 3.784 7.385 1.00 19.02 H new ATOM 0 HD12 LEU A 112 -18.795 4.766 7.303 1.00 19.02 H new ATOM 0 HD13 LEU A 112 -18.793 3.233 8.207 1.00 19.02 H new ATOM 0 HD21 LEU A 112 -17.139 1.680 6.134 1.00 18.68 H new ATOM 0 HD22 LEU A 112 -18.614 1.035 6.894 1.00 18.68 H new ATOM 0 HD23 LEU A 112 -18.488 1.115 5.120 1.00 18.68 H new ATOM 1728 N GLY A 113 -23.386 4.006 6.226 1.00 22.70 N ATOM 1729 CA GLY A 113 -24.793 3.791 5.938 1.00 23.62 C ATOM 1730 C GLY A 113 -25.243 2.377 6.245 1.00 23.76 C ATOM 1731 O GLY A 113 -26.307 1.947 5.799 1.00 24.44 O ATOM 0 H GLY A 113 -23.166 4.132 7.214 1.00 22.70 H new ATOM 0 HA2 GLY A 113 -25.390 4.493 6.520 1.00 23.62 H new ATOM 0 HA3 GLY A 113 -24.982 4.008 4.887 1.00 23.62 H new ATOM 1735 N GLU A 114 -24.434 1.654 7.011 1.00 23.22 N ATOM 1736 CA GLU A 114 -24.754 0.281 7.378 1.00 23.41 C ATOM 1737 C GLU A 114 -25.647 0.242 8.614 1.00 24.22 C ATOM 1738 O GLU A 114 -26.483 -0.650 8.756 1.00 24.14 O ATOM 1739 CB GLU A 114 -23.472 -0.511 7.634 1.00 22.59 C ATOM 1740 CG GLU A 114 -22.546 -0.574 6.431 1.00 21.89 C ATOM 1741 CD GLU A 114 -23.197 -1.221 5.225 1.00 21.84 C ATOM 1742 OE1 GLU A 114 -23.100 -2.460 5.092 1.00 21.76 O ATOM 1743 OE2 GLU A 114 -23.802 -0.491 4.413 1.00 21.97 O ATOM 0 H GLU A 114 -23.551 1.997 7.390 1.00 23.22 H new ATOM 0 HA GLU A 114 -25.295 -0.175 6.548 1.00 23.41 H new ATOM 0 HB2 GLU A 114 -22.937 -0.061 8.470 1.00 22.59 H new ATOM 0 HB3 GLU A 114 -23.735 -1.526 7.933 1.00 22.59 H new ATOM 0 HG2 GLU A 114 -22.228 0.435 6.169 1.00 21.89 H new ATOM 0 HG3 GLU A 114 -21.648 -1.132 6.697 1.00 21.89 H new ATOM 1750 N LYS A 115 -25.466 1.219 9.500 1.00 25.07 N ATOM 1751 CA LYS A 115 -26.254 1.302 10.727 1.00 25.94 C ATOM 1752 C LYS A 115 -26.132 0.018 11.543 1.00 25.87 C ATOM 1753 O LYS A 115 -26.855 -0.952 11.306 1.00 26.08 O ATOM 1754 CB LYS A 115 -27.722 1.580 10.401 1.00 27.05 C ATOM 1755 CG LYS A 115 -28.556 1.931 11.623 1.00 27.83 C ATOM 1756 CD LYS A 115 -30.001 2.222 11.248 1.00 28.38 C ATOM 1757 CE LYS A 115 -30.804 2.690 12.451 1.00 29.16 C ATOM 1758 NZ LYS A 115 -32.223 2.972 12.099 1.00 29.75 N ATOM 0 H LYS A 115 -24.779 1.965 9.391 1.00 25.07 H new ATOM 0 HA LYS A 115 -25.862 2.126 11.324 1.00 25.94 H new ATOM 0 HB2 LYS A 115 -27.778 2.399 9.684 1.00 27.05 H new ATOM 0 HB3 LYS A 115 -28.151 0.703 9.917 1.00 27.05 H new ATOM 0 HG2 LYS A 115 -28.523 1.107 12.336 1.00 27.83 H new ATOM 0 HG3 LYS A 115 -28.126 2.800 12.120 1.00 27.83 H new ATOM 0 HD2 LYS A 115 -30.030 2.985 10.470 1.00 28.38 H new ATOM 0 HD3 LYS A 115 -30.458 1.325 10.831 1.00 28.38 H new ATOM 0 HE2 LYS A 115 -30.768 1.928 13.229 1.00 29.16 H new ATOM 0 HE3 LYS A 115 -30.347 3.589 12.864 1.00 29.16 H new ATOM 0 HZ1 LYS A 115 -32.735 3.288 12.947 1.00 29.75 H new ATOM 0 HZ2 LYS A 115 -32.259 3.717 11.375 1.00 29.75 H new ATOM 0 HZ3 LYS A 115 -32.667 2.108 11.729 1.00 29.75 H new ATOM 1772 N VAL A 116 -25.218 0.024 12.506 1.00 25.67 N ATOM 1773 CA VAL A 116 -24.992 -1.139 13.356 1.00 25.69 C ATOM 1774 C VAL A 116 -25.199 -0.808 14.825 1.00 26.53 C ATOM 1775 O VAL A 116 -25.077 0.345 15.239 1.00 26.78 O ATOM 1776 CB VAL A 116 -23.567 -1.694 13.189 1.00 24.51 C ATOM 1777 CG1 VAL A 116 -23.427 -2.453 11.880 1.00 23.77 C ATOM 1778 CG2 VAL A 116 -22.551 -0.568 13.274 1.00 24.02 C ATOM 0 H VAL A 116 -24.620 0.823 12.718 1.00 25.67 H new ATOM 0 HA VAL A 116 -25.719 -1.888 13.041 1.00 25.69 H new ATOM 0 HB VAL A 116 -23.374 -2.396 14.001 1.00 24.51 H new ATOM 0 HG11 VAL A 116 -22.410 -2.834 11.788 1.00 23.77 H new ATOM 0 HG12 VAL A 116 -24.130 -3.286 11.865 1.00 23.77 H new ATOM 0 HG13 VAL A 116 -23.641 -1.784 11.047 1.00 23.77 H new ATOM 0 HG21 VAL A 116 -21.547 -0.974 13.154 1.00 24.02 H new ATOM 0 HG22 VAL A 116 -22.745 0.158 12.484 1.00 24.02 H new ATOM 0 HG23 VAL A 116 -22.631 -0.078 14.245 1.00 24.02 H new ATOM 1788 N THR A 117 -25.511 -1.833 15.606 1.00 27.04 N ATOM 1789 CA THR A 117 -25.713 -1.671 17.035 1.00 27.90 C ATOM 1790 C THR A 117 -24.400 -1.902 17.768 1.00 27.38 C ATOM 1791 O THR A 117 -23.596 -2.741 17.363 1.00 26.61 O ATOM 1792 CB THR A 117 -26.772 -2.650 17.573 1.00 28.88 C ATOM 1793 OG1 THR A 117 -26.361 -4.000 17.326 1.00 28.45 O ATOM 1794 CG2 THR A 117 -28.123 -2.399 16.921 1.00 29.54 C ATOM 0 H THR A 117 -25.630 -2.789 15.270 1.00 27.04 H new ATOM 0 HA THR A 117 -26.068 -0.655 17.207 1.00 27.90 H new ATOM 0 HB THR A 117 -26.870 -2.490 18.647 1.00 28.88 H new ATOM 0 HG1 THR A 117 -27.039 -4.617 17.673 1.00 28.45 H new ATOM 0 HG21 THR A 117 -28.855 -3.103 17.317 1.00 29.54 H new ATOM 0 HG22 THR A 117 -28.447 -1.380 17.135 1.00 29.54 H new ATOM 0 HG23 THR A 117 -28.037 -2.533 15.843 1.00 29.54 H new ATOM 1802 N ASP A 118 -24.188 -1.153 18.841 1.00 27.85 N ATOM 1803 CA ASP A 118 -22.966 -1.269 19.626 1.00 27.53 C ATOM 1804 C ASP A 118 -22.686 -2.718 20.016 1.00 27.56 C ATOM 1805 O ASP A 118 -21.556 -3.067 20.346 1.00 27.11 O ATOM 1806 CB ASP A 118 -23.061 -0.403 20.884 1.00 28.39 C ATOM 1807 CG ASP A 118 -23.137 1.077 20.563 1.00 28.44 C ATOM 1808 OD1 ASP A 118 -24.243 1.560 20.243 1.00 28.40 O ATOM 1809 OD2 ASP A 118 -22.089 1.753 20.633 1.00 28.58 O ATOM 0 H ASP A 118 -24.848 -0.457 19.189 1.00 27.85 H new ATOM 0 HA ASP A 118 -22.140 -0.920 19.006 1.00 27.53 H new ATOM 0 HB2 ASP A 118 -23.942 -0.694 21.456 1.00 28.39 H new ATOM 0 HB3 ASP A 118 -22.194 -0.591 21.517 1.00 28.39 H new ATOM 1814 N GLU A 119 -23.715 -3.560 19.963 1.00 28.18 N ATOM 1815 CA GLU A 119 -23.574 -4.965 20.333 1.00 28.39 C ATOM 1816 C GLU A 119 -22.949 -5.802 19.216 1.00 27.39 C ATOM 1817 O GLU A 119 -21.939 -6.471 19.430 1.00 26.99 O ATOM 1818 CB GLU A 119 -24.937 -5.548 20.713 1.00 29.53 C ATOM 1819 CG GLU A 119 -25.571 -4.878 21.921 1.00 30.59 C ATOM 1820 CD GLU A 119 -26.874 -5.535 22.335 1.00 31.58 C ATOM 1821 OE1 GLU A 119 -27.933 -5.137 21.806 1.00 32.06 O ATOM 1822 OE2 GLU A 119 -26.834 -6.446 23.188 1.00 31.92 O ATOM 0 H GLU A 119 -24.654 -3.294 19.668 1.00 28.18 H new ATOM 0 HA GLU A 119 -22.901 -5.005 21.189 1.00 28.39 H new ATOM 0 HB2 GLU A 119 -25.612 -5.457 19.862 1.00 29.53 H new ATOM 0 HB3 GLU A 119 -24.823 -6.613 20.917 1.00 29.53 H new ATOM 0 HG2 GLU A 119 -24.872 -4.907 22.757 1.00 30.59 H new ATOM 0 HG3 GLU A 119 -25.754 -3.827 21.695 1.00 30.59 H new ATOM 1829 N GLU A 120 -23.549 -5.764 18.029 1.00 27.04 N ATOM 1830 CA GLU A 120 -23.051 -6.548 16.899 1.00 26.15 C ATOM 1831 C GLU A 120 -21.586 -6.242 16.588 1.00 24.97 C ATOM 1832 O GLU A 120 -20.790 -7.157 16.363 1.00 24.41 O ATOM 1833 CB GLU A 120 -23.921 -6.324 15.659 1.00 26.05 C ATOM 1834 CG GLU A 120 -23.913 -4.901 15.134 1.00 25.61 C ATOM 1835 CD GLU A 120 -24.706 -4.760 13.851 1.00 25.53 C ATOM 1836 OE1 GLU A 120 -24.223 -5.233 12.801 1.00 24.93 O ATOM 1837 OE2 GLU A 120 -25.812 -4.182 13.896 1.00 26.13 O ATOM 0 H GLU A 120 -24.376 -5.203 17.824 1.00 27.04 H new ATOM 0 HA GLU A 120 -23.110 -7.598 17.185 1.00 26.15 H new ATOM 0 HB2 GLU A 120 -23.582 -6.992 14.867 1.00 26.05 H new ATOM 0 HB3 GLU A 120 -24.947 -6.605 15.895 1.00 26.05 H new ATOM 0 HG2 GLU A 120 -24.327 -4.234 15.890 1.00 25.61 H new ATOM 0 HG3 GLU A 120 -22.884 -4.586 14.960 1.00 25.61 H new ATOM 1844 N ILE A 121 -21.224 -4.964 16.585 1.00 24.65 N ATOM 1845 CA ILE A 121 -19.850 -4.580 16.290 1.00 23.60 C ATOM 1846 C ILE A 121 -18.925 -4.881 17.465 1.00 23.80 C ATOM 1847 O ILE A 121 -17.772 -5.267 17.266 1.00 23.05 O ATOM 1848 CB ILE A 121 -19.737 -3.098 15.889 1.00 23.30 C ATOM 1849 CG1 ILE A 121 -20.334 -2.191 16.961 1.00 24.33 C ATOM 1850 CG2 ILE A 121 -20.436 -2.873 14.558 1.00 22.99 C ATOM 1851 CD1 ILE A 121 -19.705 -0.816 17.011 1.00 24.19 C ATOM 0 H ILE A 121 -21.854 -4.186 16.781 1.00 24.65 H new ATOM 0 HA ILE A 121 -19.535 -5.181 15.437 1.00 23.60 H new ATOM 0 HB ILE A 121 -18.681 -2.846 15.789 1.00 23.30 H new ATOM 0 HG12 ILE A 121 -21.404 -2.085 16.781 1.00 24.33 H new ATOM 0 HG13 ILE A 121 -20.220 -2.669 17.934 1.00 24.33 H new ATOM 0 HG21 ILE A 121 -20.354 -1.823 14.277 1.00 22.99 H new ATOM 0 HG22 ILE A 121 -19.968 -3.491 13.792 1.00 22.99 H new ATOM 0 HG23 ILE A 121 -21.488 -3.143 14.649 1.00 22.99 H new ATOM 0 HD11 ILE A 121 -20.179 -0.227 17.796 1.00 24.19 H new ATOM 0 HD12 ILE A 121 -18.640 -0.911 17.222 1.00 24.19 H new ATOM 0 HD13 ILE A 121 -19.842 -0.318 16.051 1.00 24.19 H new ATOM 1863 N ASP A 122 -19.422 -4.706 18.689 1.00 24.87 N ATOM 1864 CA ASP A 122 -18.619 -5.002 19.872 1.00 25.26 C ATOM 1865 C ASP A 122 -18.234 -6.474 19.872 1.00 25.13 C ATOM 1866 O ASP A 122 -17.217 -6.866 20.444 1.00 24.95 O ATOM 1867 CB ASP A 122 -19.380 -4.661 21.152 1.00 26.55 C ATOM 1868 CG ASP A 122 -18.614 -5.050 22.400 1.00 27.08 C ATOM 1869 OD1 ASP A 122 -17.734 -4.272 22.824 1.00 27.39 O ATOM 1870 OD2 ASP A 122 -18.894 -6.134 22.955 1.00 27.28 O ATOM 0 H ASP A 122 -20.363 -4.366 18.885 1.00 24.87 H new ATOM 0 HA ASP A 122 -17.718 -4.389 19.841 1.00 25.26 H new ATOM 0 HB2 ASP A 122 -19.587 -3.591 21.175 1.00 26.55 H new ATOM 0 HB3 ASP A 122 -20.343 -5.172 21.146 1.00 26.55 H new ATOM 1875 N GLU A 123 -19.065 -7.288 19.224 1.00 25.32 N ATOM 1876 CA GLU A 123 -18.815 -8.718 19.127 1.00 25.30 C ATOM 1877 C GLU A 123 -17.699 -8.987 18.126 1.00 24.05 C ATOM 1878 O GLU A 123 -16.796 -9.778 18.392 1.00 23.89 O ATOM 1879 CB GLU A 123 -20.085 -9.461 18.710 1.00 25.91 C ATOM 1880 CG GLU A 123 -21.150 -9.503 19.792 1.00 27.23 C ATOM 1881 CD GLU A 123 -20.692 -10.242 21.035 1.00 27.86 C ATOM 1882 OE1 GLU A 123 -20.860 -11.479 21.085 1.00 27.98 O ATOM 1883 OE2 GLU A 123 -20.164 -9.585 21.956 1.00 28.28 O ATOM 0 H GLU A 123 -19.918 -6.977 18.759 1.00 25.32 H new ATOM 0 HA GLU A 123 -18.509 -9.082 20.108 1.00 25.30 H new ATOM 0 HB2 GLU A 123 -20.500 -8.984 17.822 1.00 25.91 H new ATOM 0 HB3 GLU A 123 -19.823 -10.481 18.430 1.00 25.91 H new ATOM 0 HG2 GLU A 123 -21.429 -8.484 20.062 1.00 27.23 H new ATOM 0 HG3 GLU A 123 -22.045 -9.984 19.397 1.00 27.23 H new ATOM 1890 N MET A 124 -17.766 -8.321 16.974 1.00 23.22 N ATOM 1891 CA MET A 124 -16.747 -8.487 15.947 1.00 21.99 C ATOM 1892 C MET A 124 -15.378 -8.082 16.489 1.00 21.54 C ATOM 1893 O MET A 124 -14.351 -8.631 16.088 1.00 20.82 O ATOM 1894 CB MET A 124 -17.096 -7.653 14.711 1.00 21.32 C ATOM 1895 CG MET A 124 -15.954 -7.534 13.716 1.00 20.01 C ATOM 1896 SD MET A 124 -16.448 -6.733 12.177 1.00 19.35 S ATOM 1897 CE MET A 124 -16.999 -5.140 12.779 1.00 19.76 C ATOM 0 H MET A 124 -18.510 -7.667 16.732 1.00 23.22 H new ATOM 0 HA MET A 124 -16.712 -9.538 15.659 1.00 21.99 H new ATOM 0 HB2 MET A 124 -17.956 -8.100 14.212 1.00 21.32 H new ATOM 0 HB3 MET A 124 -17.395 -6.654 15.029 1.00 21.32 H new ATOM 0 HG2 MET A 124 -15.140 -6.968 14.170 1.00 20.01 H new ATOM 0 HG3 MET A 124 -15.566 -8.528 13.495 1.00 20.01 H new ATOM 0 HE1 MET A 124 -16.879 -4.393 11.994 1.00 19.76 H new ATOM 0 HE2 MET A 124 -18.049 -5.202 13.064 1.00 19.76 H new ATOM 0 HE3 MET A 124 -16.404 -4.853 13.646 1.00 19.76 H new ATOM 1907 N ILE A 125 -15.379 -7.120 17.407 1.00 22.08 N ATOM 1908 CA ILE A 125 -14.147 -6.636 18.017 1.00 21.89 C ATOM 1909 C ILE A 125 -13.606 -7.644 19.025 1.00 22.49 C ATOM 1910 O ILE A 125 -12.408 -7.919 19.060 1.00 22.09 O ATOM 1911 CB ILE A 125 -14.373 -5.281 18.722 1.00 22.46 C ATOM 1912 CG1 ILE A 125 -14.760 -4.210 17.697 1.00 21.89 C ATOM 1913 CG2 ILE A 125 -13.129 -4.861 19.497 1.00 22.55 C ATOM 1914 CD1 ILE A 125 -15.141 -2.883 18.317 1.00 22.55 C ATOM 0 H ILE A 125 -16.224 -6.659 17.745 1.00 22.08 H new ATOM 0 HA ILE A 125 -13.418 -6.504 17.217 1.00 21.89 H new ATOM 0 HB ILE A 125 -15.191 -5.393 19.434 1.00 22.46 H new ATOM 0 HG12 ILE A 125 -13.925 -4.055 17.014 1.00 21.89 H new ATOM 0 HG13 ILE A 125 -15.596 -4.576 17.101 1.00 21.89 H new ATOM 0 HG21 ILE A 125 -13.311 -3.904 19.986 1.00 22.55 H new ATOM 0 HG22 ILE A 125 -12.898 -5.615 20.250 1.00 22.55 H new ATOM 0 HG23 ILE A 125 -12.288 -4.764 18.810 1.00 22.55 H new ATOM 0 HD11 ILE A 125 -15.402 -2.175 17.530 1.00 22.55 H new ATOM 0 HD12 ILE A 125 -15.996 -3.023 18.978 1.00 22.55 H new ATOM 0 HD13 ILE A 125 -14.299 -2.494 18.890 1.00 22.55 H new ATOM 1926 N ARG A 126 -14.501 -8.193 19.840 1.00 23.53 N ATOM 1927 CA ARG A 126 -14.121 -9.169 20.856 1.00 24.28 C ATOM 1928 C ARG A 126 -13.609 -10.458 20.218 1.00 23.77 C ATOM 1929 O ARG A 126 -12.736 -11.130 20.770 1.00 23.91 O ATOM 1930 CB ARG A 126 -15.316 -9.474 21.762 1.00 25.52 C ATOM 1931 CG ARG A 126 -14.985 -10.401 22.920 1.00 26.44 C ATOM 1932 CD ARG A 126 -16.212 -10.689 23.768 1.00 27.30 C ATOM 1933 NE ARG A 126 -15.897 -11.535 24.917 1.00 28.16 N ATOM 1934 CZ ARG A 126 -16.765 -11.824 25.881 1.00 28.99 C ATOM 1935 NH1 ARG A 126 -18.001 -11.342 25.833 1.00 29.08 N ATOM 1936 NH2 ARG A 126 -16.400 -12.595 26.895 1.00 29.80 N ATOM 0 H ARG A 126 -15.498 -7.978 19.817 1.00 23.53 H new ATOM 0 HA ARG A 126 -13.315 -8.741 21.452 1.00 24.28 H new ATOM 0 HB2 ARG A 126 -15.708 -8.537 22.159 1.00 25.52 H new ATOM 0 HB3 ARG A 126 -16.109 -9.923 21.164 1.00 25.52 H new ATOM 0 HG2 ARG A 126 -14.580 -11.337 22.535 1.00 26.44 H new ATOM 0 HG3 ARG A 126 -14.210 -9.949 23.540 1.00 26.44 H new ATOM 0 HD2 ARG A 126 -16.641 -9.749 24.116 1.00 27.30 H new ATOM 0 HD3 ARG A 126 -16.970 -11.177 23.155 1.00 27.30 H new ATOM 0 HE ARG A 126 -14.957 -11.926 24.983 1.00 28.16 H new ATOM 0 HH11 ARG A 126 -18.287 -10.748 25.055 1.00 29.08 H new ATOM 0 HH12 ARG A 126 -18.665 -11.566 26.574 1.00 29.08 H new ATOM 0 HH21 ARG A 126 -15.451 -12.968 26.937 1.00 29.80 H new ATOM 0 HH22 ARG A 126 -17.068 -12.816 27.634 1.00 29.80 H new ATOM 1950 N GLU A 127 -14.152 -10.797 19.054 1.00 23.26 N ATOM 1951 CA GLU A 127 -13.753 -12.007 18.343 1.00 22.80 C ATOM 1952 C GLU A 127 -12.428 -11.805 17.614 1.00 21.68 C ATOM 1953 O GLU A 127 -11.723 -12.768 17.311 1.00 21.50 O ATOM 1954 CB GLU A 127 -14.838 -12.416 17.345 1.00 22.59 C ATOM 1955 CG GLU A 127 -16.158 -12.789 17.999 1.00 23.70 C ATOM 1956 CD GLU A 127 -17.246 -13.093 16.987 1.00 23.91 C ATOM 1957 OE1 GLU A 127 -17.946 -12.148 16.566 1.00 24.13 O ATOM 1958 OE2 GLU A 127 -17.398 -14.275 16.616 1.00 23.95 O ATOM 0 H GLU A 127 -14.871 -10.250 18.581 1.00 23.26 H new ATOM 0 HA GLU A 127 -13.622 -12.801 19.078 1.00 22.80 H new ATOM 0 HB2 GLU A 127 -15.007 -11.595 16.648 1.00 22.59 H new ATOM 0 HB3 GLU A 127 -14.480 -13.263 16.759 1.00 22.59 H new ATOM 0 HG2 GLU A 127 -16.009 -13.659 18.639 1.00 23.70 H new ATOM 0 HG3 GLU A 127 -16.484 -11.972 18.643 1.00 23.70 H new ATOM 1965 N ALA A 128 -12.094 -10.549 17.338 1.00 21.01 N ATOM 1966 CA ALA A 128 -10.856 -10.223 16.640 1.00 19.97 C ATOM 1967 C ALA A 128 -9.806 -9.677 17.599 1.00 20.40 C ATOM 1968 O ALA A 128 -8.659 -9.453 17.214 1.00 19.88 O ATOM 1969 CB ALA A 128 -11.127 -9.221 15.528 1.00 19.05 C ATOM 0 H ALA A 128 -12.663 -9.740 17.587 1.00 21.01 H new ATOM 0 HA ALA A 128 -10.465 -11.142 16.203 1.00 19.97 H new ATOM 0 HB1 ALA A 128 -10.195 -8.986 15.015 1.00 19.05 H new ATOM 0 HB2 ALA A 128 -11.835 -9.648 14.818 1.00 19.05 H new ATOM 0 HB3 ALA A 128 -11.546 -8.309 15.954 1.00 19.05 H new ATOM 1975 N ASP A 129 -10.203 -9.466 18.848 1.00 21.43 N ATOM 1976 CA ASP A 129 -9.290 -8.942 19.856 1.00 22.05 C ATOM 1977 C ASP A 129 -8.554 -10.069 20.573 1.00 22.75 C ATOM 1978 O ASP A 129 -9.140 -10.801 21.369 1.00 23.69 O ATOM 1979 CB ASP A 129 -10.049 -8.083 20.868 1.00 22.95 C ATOM 1980 CG ASP A 129 -9.180 -7.655 22.032 1.00 23.80 C ATOM 1981 OD1 ASP A 129 -8.407 -6.689 21.870 1.00 23.96 O ATOM 1982 OD2 ASP A 129 -9.270 -8.288 23.106 1.00 24.38 O ATOM 0 H ASP A 129 -11.148 -9.649 19.186 1.00 21.43 H new ATOM 0 HA ASP A 129 -8.551 -8.323 19.348 1.00 22.05 H new ATOM 0 HB2 ASP A 129 -10.441 -7.198 20.367 1.00 22.95 H new ATOM 0 HB3 ASP A 129 -10.906 -8.642 21.244 1.00 22.95 H new ATOM 1987 N PHE A 130 -7.264 -10.201 20.279 1.00 22.35 N ATOM 1988 CA PHE A 130 -6.439 -11.234 20.895 1.00 23.04 C ATOM 1989 C PHE A 130 -5.736 -10.698 22.138 1.00 24.02 C ATOM 1990 O PHE A 130 -5.477 -11.442 23.085 1.00 25.05 O ATOM 1991 CB PHE A 130 -5.401 -11.754 19.897 1.00 22.22 C ATOM 1992 CG PHE A 130 -6.004 -12.391 18.677 1.00 21.35 C ATOM 1993 CD1 PHE A 130 -6.326 -11.625 17.569 1.00 20.73 C ATOM 1994 CD2 PHE A 130 -6.246 -13.755 18.640 1.00 21.23 C ATOM 1995 CE1 PHE A 130 -6.881 -12.209 16.444 1.00 20.01 C ATOM 1996 CE2 PHE A 130 -6.800 -14.344 17.519 1.00 20.51 C ATOM 1997 CZ PHE A 130 -7.118 -13.570 16.420 1.00 19.90 C ATOM 0 H PHE A 130 -6.767 -9.605 19.617 1.00 22.35 H new ATOM 0 HA PHE A 130 -7.092 -12.055 21.191 1.00 23.04 H new ATOM 0 HB2 PHE A 130 -4.762 -10.927 19.586 1.00 22.22 H new ATOM 0 HB3 PHE A 130 -4.761 -12.481 20.397 1.00 22.22 H new ATOM 0 HD1 PHE A 130 -6.142 -10.561 17.583 1.00 20.73 H new ATOM 0 HD2 PHE A 130 -5.999 -14.365 19.497 1.00 21.23 H new ATOM 0 HE1 PHE A 130 -7.129 -11.602 15.586 1.00 20.01 H new ATOM 0 HE2 PHE A 130 -6.984 -15.408 17.502 1.00 20.51 H new ATOM 0 HZ PHE A 130 -7.551 -14.028 15.543 1.00 19.90 H new ATOM 2007 N ASP A 131 -5.430 -9.404 22.126 1.00 23.76 N ATOM 2008 CA ASP A 131 -4.753 -8.765 23.251 1.00 24.71 C ATOM 2009 C ASP A 131 -5.578 -8.888 24.528 1.00 25.78 C ATOM 2010 O ASP A 131 -5.111 -9.428 25.532 1.00 26.78 O ATOM 2011 CB ASP A 131 -4.493 -7.295 22.948 1.00 24.21 C ATOM 2012 CG ASP A 131 -4.012 -7.068 21.528 1.00 23.32 C ATOM 2013 OD1 ASP A 131 -2.809 -7.276 21.267 1.00 22.53 O ATOM 2014 OD2 ASP A 131 -4.840 -6.680 20.677 1.00 23.46 O ATOM 0 H ASP A 131 -5.640 -8.777 21.350 1.00 23.76 H new ATOM 0 HA ASP A 131 -3.801 -9.275 23.402 1.00 24.71 H new ATOM 0 HB2 ASP A 131 -5.408 -6.727 23.113 1.00 24.21 H new ATOM 0 HB3 ASP A 131 -3.749 -6.910 23.645 1.00 24.21 H new ATOM 2019 N GLY A 132 -6.807 -8.383 24.478 1.00 25.60 N ATOM 2020 CA GLY A 132 -7.685 -8.439 25.632 1.00 26.62 C ATOM 2021 C GLY A 132 -7.893 -7.078 26.266 1.00 26.95 C ATOM 2022 O GLY A 132 -8.004 -6.966 27.487 1.00 27.86 O ATOM 0 H GLY A 132 -7.211 -7.935 23.656 1.00 25.60 H new ATOM 0 HA2 GLY A 132 -8.650 -8.848 25.332 1.00 26.62 H new ATOM 0 HA3 GLY A 132 -7.266 -9.121 26.372 1.00 26.62 H new ATOM 2026 N ASP A 133 -7.951 -6.043 25.433 1.00 26.26 N ATOM 2027 CA ASP A 133 -8.139 -4.680 25.918 1.00 26.58 C ATOM 2028 C ASP A 133 -9.409 -4.056 25.344 1.00 26.27 C ATOM 2029 O ASP A 133 -9.889 -3.038 25.841 1.00 26.65 O ATOM 2030 CB ASP A 133 -6.923 -3.820 25.563 1.00 26.12 C ATOM 2031 CG ASP A 133 -6.682 -3.735 24.067 1.00 24.90 C ATOM 2032 OD1 ASP A 133 -6.762 -4.782 23.389 1.00 24.32 O ATOM 2033 OD2 ASP A 133 -6.406 -2.622 23.574 1.00 24.55 O ATOM 0 H ASP A 133 -7.871 -6.122 24.419 1.00 26.26 H new ATOM 0 HA ASP A 133 -8.244 -4.722 27.002 1.00 26.58 H new ATOM 0 HB2 ASP A 133 -7.065 -2.815 25.962 1.00 26.12 H new ATOM 0 HB3 ASP A 133 -6.038 -4.233 26.047 1.00 26.12 H new ATOM 2038 N GLY A 134 -9.946 -4.673 24.295 1.00 25.66 N ATOM 2039 CA GLY A 134 -11.158 -4.165 23.675 1.00 25.42 C ATOM 2040 C GLY A 134 -10.877 -3.158 22.577 1.00 24.43 C ATOM 2041 O GLY A 134 -11.698 -2.283 22.302 1.00 24.42 O ATOM 0 H GLY A 134 -9.564 -5.515 23.863 1.00 25.66 H new ATOM 0 HA2 GLY A 134 -11.726 -4.998 23.261 1.00 25.42 H new ATOM 0 HA3 GLY A 134 -11.783 -3.700 24.437 1.00 25.42 H new ATOM 2045 N MET A 135 -9.714 -3.284 21.945 1.00 23.66 N ATOM 2046 CA MET A 135 -9.322 -2.380 20.869 1.00 22.72 C ATOM 2047 C MET A 135 -8.889 -3.168 19.637 1.00 21.56 C ATOM 2048 O MET A 135 -8.487 -4.326 19.746 1.00 21.55 O ATOM 2049 CB MET A 135 -8.186 -1.465 21.330 1.00 23.01 C ATOM 2050 CG MET A 135 -8.511 -0.679 22.592 1.00 24.25 C ATOM 2051 SD MET A 135 -9.913 0.435 22.380 1.00 24.43 S ATOM 2052 CE MET A 135 -9.252 1.589 21.182 1.00 23.79 C ATOM 0 H MET A 135 -9.025 -4.005 22.160 1.00 23.66 H new ATOM 0 HA MET A 135 -10.184 -1.768 20.606 1.00 22.72 H new ATOM 0 HB2 MET A 135 -7.295 -2.067 21.506 1.00 23.01 H new ATOM 0 HB3 MET A 135 -7.945 -0.766 20.529 1.00 23.01 H new ATOM 0 HG2 MET A 135 -8.725 -1.375 23.403 1.00 24.25 H new ATOM 0 HG3 MET A 135 -7.636 -0.102 22.890 1.00 24.25 H new ATOM 0 HE1 MET A 135 -9.963 2.401 21.028 1.00 23.79 H new ATOM 0 HE2 MET A 135 -8.310 1.996 21.550 1.00 23.79 H new ATOM 0 HE3 MET A 135 -9.080 1.074 20.237 1.00 23.79 H new ATOM 2062 N ILE A 136 -8.979 -2.541 18.465 1.00 20.64 N ATOM 2063 CA ILE A 136 -8.594 -3.195 17.218 1.00 19.48 C ATOM 2064 C ILE A 136 -7.380 -2.525 16.588 1.00 18.80 C ATOM 2065 O ILE A 136 -7.354 -1.315 16.394 1.00 18.85 O ATOM 2066 CB ILE A 136 -9.739 -3.185 16.184 1.00 18.91 C ATOM 2067 CG1 ILE A 136 -10.966 -3.925 16.727 1.00 19.65 C ATOM 2068 CG2 ILE A 136 -9.271 -3.801 14.866 1.00 17.71 C ATOM 2069 CD1 ILE A 136 -10.766 -5.418 16.894 1.00 19.77 C ATOM 0 H ILE A 136 -9.314 -1.584 18.354 1.00 20.64 H new ATOM 0 HA ILE A 136 -8.354 -4.225 17.482 1.00 19.48 H new ATOM 0 HB ILE A 136 -10.026 -2.150 15.996 1.00 18.91 H new ATOM 0 HG12 ILE A 136 -11.238 -3.496 17.691 1.00 19.65 H new ATOM 0 HG13 ILE A 136 -11.806 -3.755 16.054 1.00 19.65 H new ATOM 0 HG21 ILE A 136 -10.090 -3.787 14.147 1.00 17.71 H new ATOM 0 HG22 ILE A 136 -8.433 -3.226 14.473 1.00 17.71 H new ATOM 0 HG23 ILE A 136 -8.956 -4.830 15.037 1.00 17.71 H new ATOM 0 HD11 ILE A 136 -11.680 -5.866 17.282 1.00 19.77 H new ATOM 0 HD12 ILE A 136 -10.525 -5.863 15.929 1.00 19.77 H new ATOM 0 HD13 ILE A 136 -9.948 -5.600 17.591 1.00 19.77 H new ATOM 2081 N ASN A 137 -6.392 -3.337 16.246 1.00 18.27 N ATOM 2082 CA ASN A 137 -5.165 -2.861 15.621 1.00 17.67 C ATOM 2083 C ASN A 137 -5.085 -3.396 14.200 1.00 16.40 C ATOM 2084 O ASN A 137 -5.764 -4.366 13.881 1.00 16.12 O ATOM 2085 CB ASN A 137 -3.942 -3.311 16.426 1.00 18.25 C ATOM 2086 CG ASN A 137 -2.634 -2.957 15.745 1.00 18.20 C ATOM 2087 OD1 ASN A 137 -2.095 -3.742 14.967 1.00 18.03 O ATOM 2088 ND2 ASN A 137 -2.117 -1.769 16.037 1.00 18.49 N ATOM 0 H ASN A 137 -6.417 -4.346 16.394 1.00 18.27 H new ATOM 0 HA ASN A 137 -5.175 -1.771 15.599 1.00 17.67 H new ATOM 0 HB2 ASN A 137 -3.971 -2.849 17.413 1.00 18.25 H new ATOM 0 HB3 ASN A 137 -3.988 -4.389 16.578 1.00 18.25 H new ATOM 0 HD21 ASN A 137 -1.238 -1.476 15.610 1.00 18.49 H new ATOM 0 HD22 ASN A 137 -2.599 -1.149 16.688 1.00 18.49 H new ATOM 2095 N TYR A 138 -4.294 -2.754 13.338 1.00 15.73 N ATOM 2096 CA TYR A 138 -4.158 -3.196 11.946 1.00 14.51 C ATOM 2097 C TYR A 138 -4.144 -4.725 11.842 1.00 14.21 C ATOM 2098 O TYR A 138 -4.540 -5.290 10.822 1.00 13.35 O ATOM 2099 CB TYR A 138 -2.880 -2.618 11.330 1.00 14.11 C ATOM 2100 CG TYR A 138 -2.490 -3.255 10.013 1.00 12.93 C ATOM 2101 CD1 TYR A 138 -3.346 -3.210 8.920 1.00 12.24 C ATOM 2102 CD2 TYR A 138 -1.265 -3.893 9.860 1.00 12.60 C ATOM 2103 CE1 TYR A 138 -2.994 -3.785 7.713 1.00 11.18 C ATOM 2104 CE2 TYR A 138 -0.905 -4.469 8.656 1.00 11.56 C ATOM 2105 CZ TYR A 138 -1.774 -4.434 7.598 1.00 10.81 C ATOM 2106 OH TYR A 138 -1.419 -4.984 6.387 1.00 9.80 O ATOM 0 H TYR A 138 -3.740 -1.931 13.576 1.00 15.73 H new ATOM 0 HA TYR A 138 -5.023 -2.828 11.394 1.00 14.51 H new ATOM 0 HB2 TYR A 138 -3.014 -1.547 11.178 1.00 14.11 H new ATOM 0 HB3 TYR A 138 -2.060 -2.740 12.038 1.00 14.11 H new ATOM 0 HD1 TYR A 138 -4.303 -2.718 9.015 1.00 12.24 H new ATOM 0 HD2 TYR A 138 -0.583 -3.940 10.696 1.00 12.60 H new ATOM 0 HE1 TYR A 138 -3.663 -3.729 6.867 1.00 11.18 H new ATOM 0 HE2 TYR A 138 0.059 -4.945 8.550 1.00 11.56 H new ATOM 0 HH TYR A 138 -0.536 -5.403 6.464 1.00 9.80 H new ATOM 2116 N GLU A 139 -3.709 -5.390 12.907 1.00 15.05 N ATOM 2117 CA GLU A 139 -3.655 -6.847 12.928 1.00 15.05 C ATOM 2118 C GLU A 139 -5.036 -7.423 13.220 1.00 15.40 C ATOM 2119 O GLU A 139 -5.554 -8.247 12.463 1.00 14.88 O ATOM 2120 CB GLU A 139 -2.650 -7.324 13.979 1.00 16.02 C ATOM 2121 CG GLU A 139 -1.216 -6.922 13.676 1.00 15.89 C ATOM 2122 CD GLU A 139 -0.253 -7.320 14.778 1.00 16.64 C ATOM 2123 OE1 GLU A 139 0.233 -8.470 14.754 1.00 17.06 O ATOM 2124 OE2 GLU A 139 0.015 -6.482 15.663 1.00 16.91 O ATOM 0 H GLU A 139 -3.389 -4.943 13.766 1.00 15.05 H new ATOM 0 HA GLU A 139 -3.330 -7.198 11.948 1.00 15.05 H new ATOM 0 HB2 GLU A 139 -2.934 -6.920 14.951 1.00 16.02 H new ATOM 0 HB3 GLU A 139 -2.706 -8.410 14.056 1.00 16.02 H new ATOM 0 HG2 GLU A 139 -0.903 -7.385 12.740 1.00 15.89 H new ATOM 0 HG3 GLU A 139 -1.168 -5.843 13.529 1.00 15.89 H new ATOM 2131 N GLU A 140 -5.628 -6.975 14.323 1.00 16.39 N ATOM 2132 CA GLU A 140 -6.956 -7.428 14.721 1.00 16.95 C ATOM 2133 C GLU A 140 -7.974 -7.081 13.637 1.00 16.22 C ATOM 2134 O GLU A 140 -8.976 -7.777 13.454 1.00 16.37 O ATOM 2135 CB GLU A 140 -7.359 -6.776 16.051 1.00 18.12 C ATOM 2136 CG GLU A 140 -6.196 -6.558 17.007 1.00 18.79 C ATOM 2137 CD GLU A 140 -6.629 -5.998 18.347 1.00 20.10 C ATOM 2138 OE1 GLU A 140 -7.395 -6.686 19.055 1.00 20.52 O ATOM 2139 OE2 GLU A 140 -6.208 -4.877 18.686 1.00 20.75 O ATOM 0 H GLU A 140 -5.207 -6.297 14.958 1.00 16.39 H new ATOM 0 HA GLU A 140 -6.935 -8.510 14.852 1.00 16.95 H new ATOM 0 HB2 GLU A 140 -7.832 -5.816 15.845 1.00 18.12 H new ATOM 0 HB3 GLU A 140 -8.106 -7.402 16.540 1.00 18.12 H new ATOM 0 HG2 GLU A 140 -5.680 -7.505 17.165 1.00 18.79 H new ATOM 0 HG3 GLU A 140 -5.479 -5.877 16.549 1.00 18.79 H new ATOM 2146 N PHE A 141 -7.692 -6.001 12.912 1.00 15.58 N ATOM 2147 CA PHE A 141 -8.561 -5.537 11.840 1.00 14.98 C ATOM 2148 C PHE A 141 -8.508 -6.493 10.655 1.00 14.05 C ATOM 2149 O PHE A 141 -9.535 -6.992 10.206 1.00 14.12 O ATOM 2150 CB PHE A 141 -8.145 -4.128 11.397 1.00 14.62 C ATOM 2151 CG PHE A 141 -8.978 -3.579 10.272 1.00 14.16 C ATOM 2152 CD1 PHE A 141 -8.635 -3.825 8.954 1.00 13.21 C ATOM 2153 CD2 PHE A 141 -10.099 -2.807 10.535 1.00 14.81 C ATOM 2154 CE1 PHE A 141 -9.389 -3.309 7.917 1.00 12.98 C ATOM 2155 CE2 PHE A 141 -10.858 -2.291 9.504 1.00 14.61 C ATOM 2156 CZ PHE A 141 -10.533 -2.585 8.196 1.00 13.73 C ATOM 0 H PHE A 141 -6.860 -5.428 13.052 1.00 15.58 H new ATOM 0 HA PHE A 141 -9.584 -5.505 12.214 1.00 14.98 H new ATOM 0 HB2 PHE A 141 -8.213 -3.453 12.250 1.00 14.62 H new ATOM 0 HB3 PHE A 141 -7.100 -4.147 11.088 1.00 14.62 H new ATOM 0 HD1 PHE A 141 -7.767 -4.428 8.733 1.00 13.21 H new ATOM 0 HD2 PHE A 141 -10.382 -2.607 11.558 1.00 14.81 H new ATOM 0 HE1 PHE A 141 -9.086 -3.471 6.893 1.00 12.98 H new ATOM 0 HE2 PHE A 141 -11.705 -1.658 9.721 1.00 14.61 H new ATOM 0 HZ PHE A 141 -11.171 -2.250 7.392 1.00 13.73 H new ATOM 2166 N VAL A 142 -7.298 -6.738 10.155 1.00 13.29 N ATOM 2167 CA VAL A 142 -7.099 -7.634 9.021 1.00 12.40 C ATOM 2168 C VAL A 142 -7.832 -8.958 9.222 1.00 12.96 C ATOM 2169 O VAL A 142 -8.383 -9.521 8.274 1.00 12.60 O ATOM 2170 CB VAL A 142 -5.597 -7.908 8.781 1.00 11.84 C ATOM 2171 CG1 VAL A 142 -5.395 -9.125 7.887 1.00 11.29 C ATOM 2172 CG2 VAL A 142 -4.927 -6.686 8.173 1.00 11.16 C ATOM 0 H VAL A 142 -6.439 -6.326 10.520 1.00 13.29 H new ATOM 0 HA VAL A 142 -7.512 -7.134 8.145 1.00 12.40 H new ATOM 0 HB VAL A 142 -5.135 -8.119 9.745 1.00 11.84 H new ATOM 0 HG11 VAL A 142 -4.329 -9.293 7.736 1.00 11.29 H new ATOM 0 HG12 VAL A 142 -5.837 -10.002 8.361 1.00 11.29 H new ATOM 0 HG13 VAL A 142 -5.875 -8.952 6.924 1.00 11.29 H new ATOM 0 HG21 VAL A 142 -3.870 -6.894 8.010 1.00 11.16 H new ATOM 0 HG22 VAL A 142 -5.401 -6.447 7.221 1.00 11.16 H new ATOM 0 HG23 VAL A 142 -5.029 -5.839 8.852 1.00 11.16 H new ATOM 2182 N TRP A 143 -7.845 -9.449 10.456 1.00 13.99 N ATOM 2183 CA TRP A 143 -8.507 -10.714 10.761 1.00 14.75 C ATOM 2184 C TRP A 143 -10.025 -10.619 10.601 1.00 15.22 C ATOM 2185 O TRP A 143 -10.625 -11.396 9.858 1.00 15.27 O ATOM 2186 CB TRP A 143 -8.174 -11.165 12.184 1.00 15.86 C ATOM 2187 CG TRP A 143 -8.729 -12.516 12.513 1.00 16.76 C ATOM 2188 CD1 TRP A 143 -8.112 -13.724 12.369 1.00 16.94 C ATOM 2189 CD2 TRP A 143 -10.025 -12.786 13.034 1.00 17.71 C ATOM 2190 NE1 TRP A 143 -8.958 -14.733 12.771 1.00 17.96 N ATOM 2191 CE2 TRP A 143 -10.141 -14.178 13.184 1.00 18.43 C ATOM 2192 CE3 TRP A 143 -11.098 -11.975 13.386 1.00 18.11 C ATOM 2193 CZ2 TRP A 143 -11.299 -14.777 13.673 1.00 19.50 C ATOM 2194 CZ3 TRP A 143 -12.248 -12.564 13.872 1.00 19.15 C ATOM 2195 CH2 TRP A 143 -12.343 -13.955 14.012 1.00 19.83 C ATOM 0 H TRP A 143 -7.408 -8.994 11.258 1.00 13.99 H new ATOM 0 HA TRP A 143 -8.135 -11.448 10.046 1.00 14.75 H new ATOM 0 HB2 TRP A 143 -7.091 -11.182 12.310 1.00 15.86 H new ATOM 0 HB3 TRP A 143 -8.566 -10.435 12.892 1.00 15.86 H new ATOM 0 HD1 TRP A 143 -7.109 -13.868 11.995 1.00 16.94 H new ATOM 0 HE1 TRP A 143 -8.740 -15.729 12.763 1.00 17.96 H new ATOM 0 HE3 TRP A 143 -11.033 -10.902 13.281 1.00 18.11 H new ATOM 0 HZ2 TRP A 143 -11.372 -15.849 13.781 1.00 19.50 H new ATOM 0 HZ3 TRP A 143 -13.087 -11.943 14.149 1.00 19.15 H new ATOM 0 HH2 TRP A 143 -13.256 -14.388 14.394 1.00 19.83 H new ATOM 2206 N MET A 144 -10.642 -9.667 11.298 1.00 15.69 N ATOM 2207 CA MET A 144 -12.096 -9.505 11.248 1.00 16.33 C ATOM 2208 C MET A 144 -12.586 -9.138 9.850 1.00 15.63 C ATOM 2209 O MET A 144 -13.659 -9.573 9.429 1.00 16.10 O ATOM 2210 CB MET A 144 -12.551 -8.454 12.263 1.00 17.12 C ATOM 2211 CG MET A 144 -12.353 -7.017 11.804 1.00 16.59 C ATOM 2212 SD MET A 144 -12.338 -5.856 13.184 1.00 17.69 S ATOM 2213 CE MET A 144 -12.466 -4.303 12.309 1.00 17.05 C ATOM 0 H MET A 144 -10.162 -8.999 11.901 1.00 15.69 H new ATOM 0 HA MET A 144 -12.538 -10.468 11.506 1.00 16.33 H new ATOM 0 HB2 MET A 144 -13.607 -8.611 12.483 1.00 17.12 H new ATOM 0 HB3 MET A 144 -12.005 -8.605 13.194 1.00 17.12 H new ATOM 0 HG2 MET A 144 -11.414 -6.939 11.256 1.00 16.59 H new ATOM 0 HG3 MET A 144 -13.150 -6.746 11.112 1.00 16.59 H new ATOM 0 HE1 MET A 144 -11.777 -3.581 12.747 1.00 17.05 H new ATOM 0 HE2 MET A 144 -12.214 -4.455 11.259 1.00 17.05 H new ATOM 0 HE3 MET A 144 -13.485 -3.925 12.386 1.00 17.05 H new ATOM 2223 N ILE A 145 -11.806 -8.338 9.132 1.00 14.62 N ATOM 2224 CA ILE A 145 -12.184 -7.925 7.787 1.00 14.03 C ATOM 2225 C ILE A 145 -11.978 -9.065 6.794 1.00 13.62 C ATOM 2226 O ILE A 145 -12.592 -9.094 5.726 1.00 13.74 O ATOM 2227 CB ILE A 145 -11.389 -6.685 7.329 1.00 13.14 C ATOM 2228 CG1 ILE A 145 -11.937 -6.169 5.999 1.00 12.79 C ATOM 2229 CG2 ILE A 145 -9.912 -7.018 7.200 1.00 12.26 C ATOM 2230 CD1 ILE A 145 -11.366 -4.833 5.578 1.00 12.37 C ATOM 0 H ILE A 145 -10.914 -7.965 9.456 1.00 14.62 H new ATOM 0 HA ILE A 145 -13.241 -7.662 7.815 1.00 14.03 H new ATOM 0 HB ILE A 145 -11.501 -5.903 8.080 1.00 13.14 H new ATOM 0 HG12 ILE A 145 -11.728 -6.904 5.221 1.00 12.79 H new ATOM 0 HG13 ILE A 145 -13.021 -6.083 6.073 1.00 12.79 H new ATOM 0 HG21 ILE A 145 -9.366 -6.132 6.876 1.00 12.26 H new ATOM 0 HG22 ILE A 145 -9.528 -7.348 8.165 1.00 12.26 H new ATOM 0 HG23 ILE A 145 -9.781 -7.813 6.466 1.00 12.26 H new ATOM 0 HD11 ILE A 145 -11.803 -4.534 4.625 1.00 12.37 H new ATOM 0 HD12 ILE A 145 -11.598 -4.084 6.335 1.00 12.37 H new ATOM 0 HD13 ILE A 145 -10.285 -4.917 5.470 1.00 12.37 H new ATOM 2242 N SER A 146 -11.111 -10.007 7.157 1.00 13.30 N ATOM 2243 CA SER A 146 -10.827 -11.161 6.312 1.00 13.04 C ATOM 2244 C SER A 146 -12.054 -12.058 6.204 1.00 14.17 C ATOM 2245 O SER A 146 -12.141 -12.911 5.321 1.00 14.26 O ATOM 2246 CB SER A 146 -9.658 -11.964 6.887 1.00 12.74 C ATOM 2247 OG SER A 146 -9.288 -13.021 6.020 1.00 12.48 O ATOM 0 H SER A 146 -10.592 -9.992 8.035 1.00 13.30 H new ATOM 0 HA SER A 146 -10.562 -10.799 5.319 1.00 13.04 H new ATOM 0 HB2 SER A 146 -8.804 -11.305 7.047 1.00 12.74 H new ATOM 0 HB3 SER A 146 -9.935 -12.369 7.861 1.00 12.74 H new ATOM 0 HG SER A 146 -8.538 -13.517 6.410 1.00 12.48 H new ATOM 2253 N GLN A 147 -12.999 -11.852 7.113 1.00 15.13 N ATOM 2254 CA GLN A 147 -14.223 -12.643 7.147 1.00 16.31 C ATOM 2255 C GLN A 147 -15.328 -11.977 6.335 1.00 16.62 C ATOM 2256 O GLN A 147 -16.472 -12.431 6.333 1.00 17.39 O ATOM 2257 CB GLN A 147 -14.673 -12.829 8.597 1.00 17.27 C ATOM 2258 CG GLN A 147 -13.525 -12.775 9.591 1.00 17.07 C ATOM 2259 CD GLN A 147 -13.899 -13.320 10.953 1.00 17.24 C ATOM 2260 OE1 GLN A 147 -14.433 -12.603 11.798 1.00 17.61 O ATOM 2261 NE2 GLN A 147 -13.607 -14.595 11.174 1.00 17.09 N ATOM 0 H GLN A 147 -12.940 -11.139 7.841 1.00 15.13 H new ATOM 0 HA GLN A 147 -14.019 -13.617 6.702 1.00 16.31 H new ATOM 0 HB2 GLN A 147 -15.399 -12.055 8.848 1.00 17.27 H new ATOM 0 HB3 GLN A 147 -15.183 -13.788 8.692 1.00 17.27 H new ATOM 0 HG2 GLN A 147 -12.683 -13.343 9.197 1.00 17.07 H new ATOM 0 HG3 GLN A 147 -13.191 -11.743 9.697 1.00 17.07 H new ATOM 0 HE21 GLN A 147 -13.164 -15.151 10.443 1.00 17.09 H new ATOM 0 HE22 GLN A 147 -13.826 -15.019 12.075 1.00 17.09 H new ATOM 2270 N LYS A 148 -14.976 -10.897 5.643 1.00 16.13 N ATOM 2271 CA LYS A 148 -15.936 -10.164 4.827 1.00 16.53 C ATOM 2272 C LYS A 148 -15.694 -10.419 3.342 1.00 16.32 C ATOM 2273 O LYS A 148 -14.871 -9.695 2.742 1.00 16.11 O ATOM 2274 CB LYS A 148 -15.846 -8.668 5.123 1.00 16.16 C ATOM 2275 CG LYS A 148 -16.086 -8.324 6.584 1.00 16.47 C ATOM 2276 CD LYS A 148 -15.958 -6.830 6.833 1.00 16.26 C ATOM 2277 CE LYS A 148 -16.196 -6.488 8.295 1.00 16.41 C ATOM 2278 NZ LYS A 148 -17.557 -6.890 8.744 1.00 16.72 N ATOM 2279 OXT LYS A 148 -16.330 -11.343 2.791 1.00 16.50 O ATOM 0 H LYS A 148 -14.032 -10.511 5.632 1.00 16.13 H new ATOM 0 HA LYS A 148 -16.936 -10.517 5.078 1.00 16.53 H new ATOM 0 HB2 LYS A 148 -14.860 -8.306 4.830 1.00 16.16 H new ATOM 0 HB3 LYS A 148 -16.575 -8.140 4.509 1.00 16.16 H new ATOM 0 HG2 LYS A 148 -17.080 -8.659 6.879 1.00 16.47 H new ATOM 0 HG3 LYS A 148 -15.371 -8.860 7.207 1.00 16.47 H new ATOM 0 HD2 LYS A 148 -14.964 -6.494 6.537 1.00 16.26 H new ATOM 0 HD3 LYS A 148 -16.675 -6.293 6.211 1.00 16.26 H new ATOM 0 HE2 LYS A 148 -15.448 -6.987 8.911 1.00 16.41 H new ATOM 0 HE3 LYS A 148 -16.067 -5.416 8.443 1.00 16.41 H new ATOM 0 HZ1 LYS A 148 -17.770 -6.437 9.656 1.00 16.72 H new ATOM 0 HZ2 LYS A 148 -18.258 -6.590 8.037 1.00 16.72 H new ATOM 0 HZ3 LYS A 148 -17.595 -7.924 8.853 1.00 16.72 H new