USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 918 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 68 GLN :FLIP amide:sc= -0.0247 X(o=-1.1,f=-0.92) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= -0.896 X(o=-1.2!,f=-0.92) USER MOD Single : A 13 SER OG : rot 135:sc= 0.31! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 171:sc= -1.68 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 133:sc= -0.731 USER MOD Single : A 35 ASN :FLIP amide:sc= -0.161 F(o=-1.7,f=-0.16) USER MOD Single : A 37 ASN :FLIP amide:sc= -1.11 F(o=-3.3!,f=-1.1) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 170:sc= -3.51! (180deg=-4.01!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 80:sc= -1.05! USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -161:sc= -0.196 (180deg=-0.532) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -11.6! C(o=-13!,f=-12!) USER MOD Single : A 75 MET CE :methyl -126:sc= -1.26 (180deg=-2.53!) USER MOD Single : A 81 MET CE :methyl -146:sc= 0 (180deg=-0.791) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0989 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -1.04 F(o=-3.6!,f=-1) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0142 USER MOD Single : A 92 SER OG : rot -27:sc= 1.03 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -2.08! C(o=-2.1!,f=-1.6!) USER MOD Single : A 96 GLN : amide:sc= -2.54 K(o=-2.5,f=-7.9!) USER MOD Single : A 101 TYR OH : rot -140:sc= -4.24 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 11.555 -13.398 0.874 1.00 0.00 N ATOM 38 CA ARG A 3 12.145 -12.618 -0.216 1.00 0.00 C ATOM 39 C ARG A 3 12.017 -11.116 0.034 1.00 0.00 C ATOM 40 O ARG A 3 12.764 -10.318 -0.533 1.00 0.00 O ATOM 41 CB ARG A 3 11.504 -12.985 -1.559 1.00 0.00 C ATOM 42 CG ARG A 3 12.064 -12.203 -2.742 1.00 0.00 C ATOM 43 CD ARG A 3 13.017 -13.046 -3.578 1.00 0.00 C ATOM 44 NE ARG A 3 12.796 -12.859 -5.010 1.00 0.00 N ATOM 45 CZ ARG A 3 12.707 -13.855 -5.890 1.00 0.00 C ATOM 46 NH1 ARG A 3 12.837 -15.117 -5.496 1.00 0.00 N ATOM 47 NH2 ARG A 3 12.498 -13.589 -7.172 1.00 0.00 N ATOM 0 HA ARG A 3 13.206 -12.865 -0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.646 -14.050 -1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.429 -12.813 -1.497 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.243 -11.854 -3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 3 12.586 -11.318 -2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 3 14.046 -12.783 -3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 3 12.888 -14.098 -3.325 1.00 0.00 H new ATOM 0 HE ARG A 3 12.704 -11.905 -5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 3 13.006 -15.329 -4.513 1.00 0.00 H new ATOM 0 HH12 ARG A 3 12.767 -15.874 -6.177 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.406 -12.622 -7.484 1.00 0.00 H new ATOM 0 HH22 ARG A 3 12.430 -14.351 -7.846 1.00 0.00 H new ATOM 61 N GLY A 4 11.074 -10.735 0.887 1.00 0.00 N ATOM 62 CA GLY A 4 10.875 -9.333 1.191 1.00 0.00 C ATOM 63 C GLY A 4 10.603 -8.501 -0.045 1.00 0.00 C ATOM 64 O GLY A 4 11.496 -7.834 -0.566 1.00 0.00 O ATOM 0 H GLY A 4 10.444 -11.373 1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.040 -9.230 1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.759 -8.946 1.697 1.00 0.00 H new ATOM 68 N ILE A 5 9.362 -8.543 -0.514 1.00 0.00 N ATOM 69 CA ILE A 5 8.962 -7.782 -1.690 1.00 0.00 C ATOM 70 C ILE A 5 7.906 -6.749 -1.327 1.00 0.00 C ATOM 71 O ILE A 5 6.775 -7.098 -0.993 1.00 0.00 O ATOM 72 CB ILE A 5 8.393 -8.696 -2.793 1.00 0.00 C ATOM 73 CG1 ILE A 5 9.288 -9.917 -2.994 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.234 -7.930 -4.100 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.800 -11.149 -2.270 1.00 0.00 C ATOM 0 H ILE A 5 8.614 -9.097 -0.097 1.00 0.00 H new ATOM 0 HA ILE A 5 9.858 -7.287 -2.065 1.00 0.00 H new ATOM 0 HB ILE A 5 7.408 -9.039 -2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.357 -10.135 -4.060 1.00 0.00 H new ATOM 0 HG13 ILE A 5 10.295 -9.679 -2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.831 -8.594 -4.864 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.552 -7.093 -3.951 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.205 -7.554 -4.422 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.484 -11.976 -2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.758 -10.949 -1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.805 -11.412 -2.629 1.00 0.00 H new ATOM 87 N VAL A 6 8.272 -5.475 -1.406 1.00 0.00 N ATOM 88 CA VAL A 6 7.339 -4.404 -1.098 1.00 0.00 C ATOM 89 C VAL A 6 6.927 -3.663 -2.360 1.00 0.00 C ATOM 90 O VAL A 6 7.771 -3.238 -3.144 1.00 0.00 O ATOM 91 CB VAL A 6 7.931 -3.389 -0.102 1.00 0.00 C ATOM 92 CG1 VAL A 6 9.246 -2.836 -0.627 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.932 -2.271 0.158 1.00 0.00 C ATOM 0 H VAL A 6 9.204 -5.162 -1.679 1.00 0.00 H new ATOM 0 HA VAL A 6 6.469 -4.876 -0.642 1.00 0.00 H new ATOM 0 HB VAL A 6 8.133 -3.895 0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.651 -2.120 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.955 -3.652 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.076 -2.338 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.359 -1.558 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.703 -1.762 -0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.017 -2.691 0.576 1.00 0.00 H new ATOM 103 N TRP A 7 5.623 -3.505 -2.546 1.00 0.00 N ATOM 104 CA TRP A 7 5.097 -2.808 -3.710 1.00 0.00 C ATOM 105 C TRP A 7 4.357 -1.543 -3.283 1.00 0.00 C ATOM 106 O TRP A 7 3.657 -1.534 -2.273 1.00 0.00 O ATOM 107 CB TRP A 7 4.194 -3.746 -4.514 1.00 0.00 C ATOM 108 CG TRP A 7 4.975 -4.705 -5.365 1.00 0.00 C ATOM 109 CD1 TRP A 7 6.327 -4.896 -5.341 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.465 -5.598 -6.363 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.691 -5.837 -6.268 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.567 -6.288 -6.905 1.00 0.00 C ATOM 113 CE3 TRP A 7 3.187 -5.880 -6.853 1.00 0.00 C ATOM 114 CZ2 TRP A 7 5.429 -7.240 -7.911 1.00 0.00 C ATOM 115 CZ3 TRP A 7 3.051 -6.827 -7.851 1.00 0.00 C ATOM 116 CH2 TRP A 7 4.168 -7.496 -8.370 1.00 0.00 C ATOM 0 H TRP A 7 4.910 -3.851 -1.904 1.00 0.00 H new ATOM 0 HA TRP A 7 5.923 -2.503 -4.352 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.558 -4.307 -3.830 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.535 -3.155 -5.150 1.00 0.00 H new ATOM 0 HD1 TRP A 7 7.012 -4.379 -4.685 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.644 -6.150 -6.453 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.322 -5.368 -6.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 6.287 -7.757 -8.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 2.068 -7.055 -8.237 1.00 0.00 H new ATOM 0 HH2 TRP A 7 4.029 -8.230 -9.150 1.00 0.00 H new ATOM 127 N VAL A 8 4.547 -0.465 -4.039 1.00 0.00 N ATOM 128 CA VAL A 8 3.922 0.815 -3.713 1.00 0.00 C ATOM 129 C VAL A 8 3.062 1.324 -4.860 1.00 0.00 C ATOM 130 O VAL A 8 3.378 1.109 -6.022 1.00 0.00 O ATOM 131 CB VAL A 8 4.975 1.897 -3.382 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.448 2.836 -2.309 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.302 1.277 -2.954 1.00 0.00 C ATOM 0 H VAL A 8 5.126 -0.451 -4.878 1.00 0.00 H new ATOM 0 HA VAL A 8 3.298 0.633 -2.838 1.00 0.00 H new ATOM 0 HB VAL A 8 5.161 2.471 -4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.200 3.593 -2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.539 3.322 -2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.226 2.268 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.018 2.068 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.148 0.664 -2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.690 0.655 -3.761 1.00 0.00 H new ATOM 143 N VAL A 9 1.981 2.015 -4.531 1.00 0.00 N ATOM 144 CA VAL A 9 1.097 2.559 -5.554 1.00 0.00 C ATOM 145 C VAL A 9 0.829 4.044 -5.312 1.00 0.00 C ATOM 146 O VAL A 9 0.141 4.416 -4.361 1.00 0.00 O ATOM 147 CB VAL A 9 -0.246 1.794 -5.630 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.615 1.520 -7.082 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.180 0.494 -4.840 1.00 0.00 C ATOM 0 H VAL A 9 1.695 2.212 -3.572 1.00 0.00 H new ATOM 0 HA VAL A 9 1.610 2.437 -6.508 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.020 2.418 -5.184 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.562 0.981 -7.121 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.712 2.465 -7.617 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.165 0.918 -7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.137 -0.023 -4.910 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.607 -0.140 -5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.038 0.714 -3.795 1.00 0.00 H new ATOM 159 N ASP A 10 1.393 4.886 -6.176 1.00 0.00 N ATOM 160 CA ASP A 10 1.235 6.334 -6.066 1.00 0.00 C ATOM 161 C ASP A 10 1.593 7.019 -7.387 1.00 0.00 C ATOM 162 O ASP A 10 1.561 6.393 -8.443 1.00 0.00 O ATOM 163 CB ASP A 10 2.107 6.866 -4.926 1.00 0.00 C ATOM 164 CG ASP A 10 1.462 8.029 -4.193 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.270 8.302 -4.445 1.00 0.00 O ATOM 166 OD2 ASP A 10 2.150 8.668 -3.369 1.00 0.00 O ATOM 0 H ASP A 10 1.967 4.587 -6.965 1.00 0.00 H new ATOM 0 HA ASP A 10 0.192 6.558 -5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.306 6.061 -4.219 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.070 7.183 -5.327 1.00 0.00 H new ATOM 171 N ASP A 11 1.927 8.302 -7.325 1.00 0.00 N ATOM 172 CA ASP A 11 2.273 9.067 -8.523 1.00 0.00 C ATOM 173 C ASP A 11 3.572 8.577 -9.170 1.00 0.00 C ATOM 174 O ASP A 11 3.975 9.080 -10.218 1.00 0.00 O ATOM 175 CB ASP A 11 2.412 10.551 -8.176 1.00 0.00 C ATOM 176 CG ASP A 11 1.872 11.457 -9.265 1.00 0.00 C ATOM 177 OD1 ASP A 11 2.038 11.119 -10.457 1.00 0.00 O ATOM 178 OD2 ASP A 11 1.287 12.507 -8.928 1.00 0.00 O ATOM 0 H ASP A 11 1.966 8.838 -6.458 1.00 0.00 H new ATOM 0 HA ASP A 11 1.465 8.921 -9.240 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.883 10.754 -7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.463 10.783 -8.003 1.00 0.00 H new ATOM 183 N ASP A 12 4.224 7.595 -8.551 1.00 0.00 N ATOM 184 CA ASP A 12 5.467 7.054 -9.089 1.00 0.00 C ATOM 185 C ASP A 12 6.584 8.105 -9.031 1.00 0.00 C ATOM 186 O ASP A 12 6.635 8.904 -8.095 1.00 0.00 O ATOM 187 CB ASP A 12 5.243 6.570 -10.528 1.00 0.00 C ATOM 188 CG ASP A 12 6.108 5.376 -10.882 1.00 0.00 C ATOM 189 OD1 ASP A 12 7.225 5.269 -10.334 1.00 0.00 O ATOM 190 OD2 ASP A 12 5.669 4.548 -11.708 1.00 0.00 O ATOM 0 H ASP A 12 3.913 7.161 -7.682 1.00 0.00 H new ATOM 0 HA ASP A 12 5.777 6.205 -8.480 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.194 6.306 -10.659 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.455 7.386 -11.219 1.00 0.00 H new ATOM 195 N SER A 13 7.465 8.109 -10.040 1.00 0.00 N ATOM 196 CA SER A 13 8.567 9.060 -10.124 1.00 0.00 C ATOM 197 C SER A 13 9.127 9.449 -8.748 1.00 0.00 C ATOM 198 O SER A 13 9.891 8.692 -8.151 1.00 0.00 O ATOM 199 CB SER A 13 8.103 10.276 -10.917 1.00 0.00 C ATOM 200 OG SER A 13 7.235 11.098 -10.155 1.00 0.00 O ATOM 0 H SER A 13 7.429 7.451 -10.818 1.00 0.00 H new ATOM 0 HA SER A 13 9.399 8.583 -10.642 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.970 10.857 -11.233 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.592 9.947 -11.822 1.00 0.00 H new ATOM 0 HG SER A 13 7.494 12.037 -10.264 1.00 0.00 H new ATOM 206 N SER A 14 8.757 10.624 -8.255 1.00 0.00 N ATOM 207 CA SER A 14 9.238 11.096 -6.958 1.00 0.00 C ATOM 208 C SER A 14 8.955 10.076 -5.856 1.00 0.00 C ATOM 209 O SER A 14 9.844 9.725 -5.083 1.00 0.00 O ATOM 210 CB SER A 14 8.588 12.436 -6.611 1.00 0.00 C ATOM 211 OG SER A 14 9.381 13.518 -7.066 1.00 0.00 O ATOM 0 H SER A 14 8.126 11.269 -8.731 1.00 0.00 H new ATOM 0 HA SER A 14 10.318 11.227 -7.028 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.597 12.491 -7.062 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.451 12.509 -5.532 1.00 0.00 H new ATOM 0 HG SER A 14 8.944 14.364 -6.834 1.00 0.00 H new ATOM 217 N ILE A 15 7.716 9.600 -5.790 1.00 0.00 N ATOM 218 CA ILE A 15 7.335 8.619 -4.781 1.00 0.00 C ATOM 219 C ILE A 15 8.112 7.319 -4.958 1.00 0.00 C ATOM 220 O ILE A 15 8.291 6.556 -4.011 1.00 0.00 O ATOM 221 CB ILE A 15 5.826 8.313 -4.818 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.017 9.612 -4.847 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.436 7.459 -3.619 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.187 10.459 -3.605 1.00 0.00 C ATOM 0 H ILE A 15 6.962 9.876 -6.420 1.00 0.00 H new ATOM 0 HA ILE A 15 7.578 9.059 -3.814 1.00 0.00 H new ATOM 0 HB ILE A 15 5.602 7.755 -5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.314 10.196 -5.718 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.961 9.370 -4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.367 7.248 -3.655 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.992 6.522 -3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.670 7.995 -2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.585 11.363 -3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.863 9.893 -2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.236 10.732 -3.491 1.00 0.00 H new ATOM 236 N ARG A 16 8.570 7.077 -6.180 1.00 0.00 N ATOM 237 CA ARG A 16 9.329 5.870 -6.487 1.00 0.00 C ATOM 238 C ARG A 16 10.750 5.962 -5.937 1.00 0.00 C ATOM 239 O ARG A 16 11.201 5.084 -5.202 1.00 0.00 O ATOM 240 CB ARG A 16 9.386 5.646 -8.000 1.00 0.00 C ATOM 241 CG ARG A 16 10.040 4.327 -8.381 1.00 0.00 C ATOM 242 CD ARG A 16 9.740 3.928 -9.816 1.00 0.00 C ATOM 243 NE ARG A 16 10.803 3.093 -10.370 1.00 0.00 N ATOM 244 CZ ARG A 16 11.029 2.935 -11.674 1.00 0.00 C ATOM 245 NH1 ARG A 16 10.264 3.549 -12.566 1.00 0.00 N ATOM 246 NH2 ARG A 16 12.026 2.161 -12.084 1.00 0.00 N ATOM 0 H ARG A 16 8.429 7.700 -6.975 1.00 0.00 H new ATOM 0 HA ARG A 16 8.822 5.030 -6.014 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.374 5.674 -8.404 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.937 6.465 -8.463 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.119 4.407 -8.246 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.692 3.544 -7.708 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.794 3.388 -9.855 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.622 4.823 -10.427 1.00 0.00 H new ATOM 0 HE ARG A 16 11.411 2.599 -9.717 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.498 4.146 -12.256 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.442 3.424 -13.563 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.618 1.688 -11.401 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.200 2.039 -13.082 1.00 0.00 H new ATOM 260 N TRP A 17 11.453 7.022 -6.321 1.00 0.00 N ATOM 261 CA TRP A 17 12.834 7.232 -5.894 1.00 0.00 C ATOM 262 C TRP A 17 12.979 7.242 -4.375 1.00 0.00 C ATOM 263 O TRP A 17 13.930 6.680 -3.834 1.00 0.00 O ATOM 264 CB TRP A 17 13.370 8.541 -6.465 1.00 0.00 C ATOM 265 CG TRP A 17 14.863 8.626 -6.426 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.741 8.017 -7.275 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.653 9.358 -5.486 1.00 0.00 C ATOM 268 NE1 TRP A 17 17.030 8.332 -6.922 1.00 0.00 N ATOM 269 CE2 TRP A 17 17.003 9.152 -5.826 1.00 0.00 C ATOM 270 CE3 TRP A 17 15.347 10.169 -4.391 1.00 0.00 C ATOM 271 CZ2 TRP A 17 18.047 9.730 -5.109 1.00 0.00 C ATOM 272 CZ3 TRP A 17 16.386 10.741 -3.677 1.00 0.00 C ATOM 273 CH2 TRP A 17 17.721 10.519 -4.040 1.00 0.00 C ATOM 0 H TRP A 17 11.088 7.754 -6.931 1.00 0.00 H new ATOM 0 HA TRP A 17 13.415 6.393 -6.277 1.00 0.00 H new ATOM 0 HB2 TRP A 17 13.032 8.647 -7.496 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.949 9.375 -5.904 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.463 7.381 -8.102 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.871 8.008 -7.399 1.00 0.00 H new ATOM 0 HE3 TRP A 17 14.320 10.346 -4.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 19.077 9.562 -5.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 16.164 11.368 -2.826 1.00 0.00 H new ATOM 0 HH2 TRP A 17 18.509 10.980 -3.464 1.00 0.00 H new ATOM 284 N VAL A 18 12.055 7.902 -3.690 1.00 0.00 N ATOM 285 CA VAL A 18 12.118 7.995 -2.237 1.00 0.00 C ATOM 286 C VAL A 18 11.915 6.646 -1.567 1.00 0.00 C ATOM 287 O VAL A 18 12.629 6.294 -0.627 1.00 0.00 O ATOM 288 CB VAL A 18 11.078 8.985 -1.677 1.00 0.00 C ATOM 289 CG1 VAL A 18 11.398 9.328 -0.227 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.010 10.245 -2.533 1.00 0.00 C ATOM 0 H VAL A 18 11.258 8.378 -4.113 1.00 0.00 H new ATOM 0 HA VAL A 18 13.120 8.359 -2.010 1.00 0.00 H new ATOM 0 HB VAL A 18 10.098 8.508 -1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.654 10.028 0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.382 8.419 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.387 9.783 -0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.269 10.928 -2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.986 10.731 -2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.727 9.978 -3.551 1.00 0.00 H new ATOM 300 N LEU A 19 10.923 5.908 -2.030 1.00 0.00 N ATOM 301 CA LEU A 19 10.606 4.611 -1.447 1.00 0.00 C ATOM 302 C LEU A 19 11.468 3.481 -2.005 1.00 0.00 C ATOM 303 O LEU A 19 11.658 2.466 -1.343 1.00 0.00 O ATOM 304 CB LEU A 19 9.121 4.284 -1.632 1.00 0.00 C ATOM 305 CG LEU A 19 8.326 4.183 -0.329 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.388 5.499 0.428 1.00 0.00 C ATOM 307 CD2 LEU A 19 6.883 3.787 -0.609 1.00 0.00 C ATOM 0 H LEU A 19 10.322 6.181 -2.807 1.00 0.00 H new ATOM 0 HA LEU A 19 10.831 4.687 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.669 5.051 -2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.034 3.340 -2.170 1.00 0.00 H new ATOM 0 HG LEU A 19 8.773 3.407 0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.818 5.414 1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.426 5.736 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.964 6.293 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.335 3.721 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.417 4.537 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.862 2.819 -1.110 1.00 0.00 H new ATOM 319 N GLU A 20 11.981 3.641 -3.215 1.00 0.00 N ATOM 320 CA GLU A 20 12.805 2.593 -3.814 1.00 0.00 C ATOM 321 C GLU A 20 14.119 2.413 -3.059 1.00 0.00 C ATOM 322 O GLU A 20 14.421 1.325 -2.572 1.00 0.00 O ATOM 323 CB GLU A 20 13.074 2.871 -5.300 1.00 0.00 C ATOM 324 CG GLU A 20 14.034 4.014 -5.584 1.00 0.00 C ATOM 325 CD GLU A 20 14.221 4.250 -7.070 1.00 0.00 C ATOM 326 OE1 GLU A 20 13.211 4.257 -7.802 1.00 0.00 O ATOM 327 OE2 GLU A 20 15.379 4.425 -7.502 1.00 0.00 O ATOM 0 H GLU A 20 11.847 4.469 -3.796 1.00 0.00 H new ATOM 0 HA GLU A 20 12.242 1.663 -3.739 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.470 1.964 -5.756 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.124 3.086 -5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.659 4.925 -5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 20 15.000 3.797 -5.128 1.00 0.00 H new ATOM 334 N ARG A 21 14.898 3.479 -2.982 1.00 0.00 N ATOM 335 CA ARG A 21 16.193 3.449 -2.308 1.00 0.00 C ATOM 336 C ARG A 21 16.054 3.212 -0.805 1.00 0.00 C ATOM 337 O ARG A 21 16.718 2.342 -0.241 1.00 0.00 O ATOM 338 CB ARG A 21 16.943 4.758 -2.557 1.00 0.00 C ATOM 339 CG ARG A 21 17.380 4.943 -4.002 1.00 0.00 C ATOM 340 CD ARG A 21 18.890 4.842 -4.152 1.00 0.00 C ATOM 341 NE ARG A 21 19.271 4.184 -5.400 1.00 0.00 N ATOM 342 CZ ARG A 21 20.210 4.638 -6.231 1.00 0.00 C ATOM 343 NH1 ARG A 21 20.887 5.746 -5.952 1.00 0.00 N ATOM 344 NH2 ARG A 21 20.479 3.976 -7.349 1.00 0.00 N ATOM 0 H ARG A 21 14.656 4.386 -3.381 1.00 0.00 H new ATOM 0 HA ARG A 21 16.757 2.614 -2.724 1.00 0.00 H new ATOM 0 HB2 ARG A 21 16.305 5.593 -2.269 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.822 4.792 -1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.901 4.188 -4.626 1.00 0.00 H new ATOM 0 HG3 ARG A 21 17.043 5.915 -4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 21 19.326 5.841 -4.121 1.00 0.00 H new ATOM 0 HD3 ARG A 21 19.302 4.288 -3.309 1.00 0.00 H new ATOM 0 HE ARG A 21 18.788 3.322 -5.652 1.00 0.00 H new ATOM 0 HH11 ARG A 21 20.691 6.261 -5.093 1.00 0.00 H new ATOM 0 HH12 ARG A 21 21.603 6.082 -6.596 1.00 0.00 H new ATOM 0 HH21 ARG A 21 19.968 3.122 -7.571 1.00 0.00 H new ATOM 0 HH22 ARG A 21 21.197 4.321 -7.986 1.00 0.00 H new ATOM 358 N ALA A 22 15.208 4.005 -0.156 1.00 0.00 N ATOM 359 CA ALA A 22 15.008 3.890 1.285 1.00 0.00 C ATOM 360 C ALA A 22 14.587 2.490 1.690 1.00 0.00 C ATOM 361 O ALA A 22 15.111 1.928 2.652 1.00 0.00 O ATOM 362 CB ALA A 22 13.992 4.916 1.764 1.00 0.00 C ATOM 0 H ALA A 22 14.651 4.733 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 22 15.966 4.091 1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.854 4.817 2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.352 5.919 1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.040 4.748 1.260 1.00 0.00 H new ATOM 368 N LEU A 23 13.648 1.926 0.955 1.00 0.00 N ATOM 369 CA LEU A 23 13.176 0.584 1.252 1.00 0.00 C ATOM 370 C LEU A 23 14.201 -0.453 0.818 1.00 0.00 C ATOM 371 O LEU A 23 14.273 -1.548 1.381 1.00 0.00 O ATOM 372 CB LEU A 23 11.822 0.319 0.604 1.00 0.00 C ATOM 373 CG LEU A 23 10.789 -0.283 1.552 1.00 0.00 C ATOM 374 CD1 LEU A 23 9.387 -0.169 0.975 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.141 -1.728 1.861 1.00 0.00 C ATOM 0 H LEU A 23 13.199 2.370 0.154 1.00 0.00 H new ATOM 0 HA LEU A 23 13.046 0.504 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.432 1.255 0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.961 -0.355 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 23 10.805 0.281 2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.671 -0.606 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.144 0.881 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.340 -0.701 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.397 -2.147 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.155 -2.305 0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 23 12.124 -1.771 2.331 1.00 0.00 H new ATOM 387 N ALA A 24 15.024 -0.090 -0.158 1.00 0.00 N ATOM 388 CA ALA A 24 16.070 -0.979 -0.618 1.00 0.00 C ATOM 389 C ALA A 24 17.112 -1.110 0.478 1.00 0.00 C ATOM 390 O ALA A 24 17.690 -2.178 0.679 1.00 0.00 O ATOM 391 CB ALA A 24 16.700 -0.468 -1.906 1.00 0.00 C ATOM 0 H ALA A 24 14.984 0.808 -0.640 1.00 0.00 H new ATOM 0 HA ALA A 24 15.642 -1.957 -0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.482 -1.156 -2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.937 -0.399 -2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.133 0.517 -1.733 1.00 0.00 H new ATOM 397 N GLY A 25 17.317 -0.018 1.214 1.00 0.00 N ATOM 398 CA GLY A 25 18.256 -0.044 2.312 1.00 0.00 C ATOM 399 C GLY A 25 17.788 -0.994 3.395 1.00 0.00 C ATOM 400 O GLY A 25 18.589 -1.504 4.178 1.00 0.00 O ATOM 0 H GLY A 25 16.850 0.877 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.237 -0.352 1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.368 0.959 2.725 1.00 0.00 H new ATOM 404 N ALA A 26 16.476 -1.240 3.424 1.00 0.00 N ATOM 405 CA ALA A 26 15.888 -2.145 4.395 1.00 0.00 C ATOM 406 C ALA A 26 16.127 -3.598 3.989 1.00 0.00 C ATOM 407 O ALA A 26 15.991 -4.510 4.803 1.00 0.00 O ATOM 408 CB ALA A 26 14.397 -1.866 4.546 1.00 0.00 C ATOM 0 H ALA A 26 15.805 -0.820 2.781 1.00 0.00 H new ATOM 0 HA ALA A 26 16.369 -1.978 5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.971 -2.553 5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.251 -0.840 4.884 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.902 -2.006 3.585 1.00 0.00 H new ATOM 414 N GLY A 27 16.507 -3.800 2.728 1.00 0.00 N ATOM 415 CA GLY A 27 16.786 -5.137 2.241 1.00 0.00 C ATOM 416 C GLY A 27 15.627 -5.777 1.495 1.00 0.00 C ATOM 417 O GLY A 27 15.539 -7.003 1.434 1.00 0.00 O ATOM 0 H GLY A 27 16.626 -3.059 2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.653 -5.099 1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.056 -5.771 3.085 1.00 0.00 H new ATOM 421 N LEU A 28 14.734 -4.968 0.919 1.00 0.00 N ATOM 422 CA LEU A 28 13.603 -5.516 0.183 1.00 0.00 C ATOM 423 C LEU A 28 13.418 -4.858 -1.181 1.00 0.00 C ATOM 424 O LEU A 28 13.994 -3.808 -1.467 1.00 0.00 O ATOM 425 CB LEU A 28 12.317 -5.423 1.005 1.00 0.00 C ATOM 426 CG LEU A 28 12.526 -5.395 2.514 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.621 -3.972 3.020 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.427 -6.167 3.223 1.00 0.00 C ATOM 0 H LEU A 28 14.774 -3.949 0.949 1.00 0.00 H new ATOM 0 HA LEU A 28 13.828 -6.567 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.778 -4.523 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.681 -6.272 0.756 1.00 0.00 H new ATOM 0 HG LEU A 28 13.473 -5.886 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.770 -3.979 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.462 -3.471 2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.699 -3.440 2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.596 -6.134 4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.461 -5.718 2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.435 -7.204 2.886 1.00 0.00 H new ATOM 440 N THR A 29 12.613 -5.507 -2.022 1.00 0.00 N ATOM 441 CA THR A 29 12.340 -5.023 -3.373 1.00 0.00 C ATOM 442 C THR A 29 11.163 -4.055 -3.379 1.00 0.00 C ATOM 443 O THR A 29 10.015 -4.458 -3.188 1.00 0.00 O ATOM 444 CB THR A 29 12.051 -6.206 -4.301 1.00 0.00 C ATOM 445 OG1 THR A 29 13.218 -6.987 -4.492 1.00 0.00 O ATOM 446 CG2 THR A 29 11.544 -5.796 -5.667 1.00 0.00 C ATOM 0 H THR A 29 12.135 -6.377 -1.787 1.00 0.00 H new ATOM 0 HA THR A 29 13.221 -4.490 -3.731 1.00 0.00 H new ATOM 0 HB THR A 29 11.267 -6.776 -3.802 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.015 -7.739 -5.086 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.361 -6.686 -6.269 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.616 -5.235 -5.557 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.289 -5.172 -6.159 1.00 0.00 H new ATOM 454 N CYS A 30 11.459 -2.778 -3.597 1.00 0.00 N ATOM 455 CA CYS A 30 10.429 -1.747 -3.618 1.00 0.00 C ATOM 456 C CYS A 30 10.145 -1.253 -5.028 1.00 0.00 C ATOM 457 O CYS A 30 10.967 -0.572 -5.641 1.00 0.00 O ATOM 458 CB CYS A 30 10.848 -0.573 -2.733 1.00 0.00 C ATOM 459 SG CYS A 30 9.686 0.814 -2.741 1.00 0.00 S ATOM 0 H CYS A 30 12.405 -2.433 -3.762 1.00 0.00 H new ATOM 0 HA CYS A 30 9.512 -2.192 -3.232 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.965 -0.928 -1.709 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.824 -0.216 -3.060 1.00 0.00 H new ATOM 0 HG CYS A 30 10.026 1.670 -1.824 1.00 0.00 H new ATOM 465 N THR A 31 8.954 -1.569 -5.518 1.00 0.00 N ATOM 466 CA THR A 31 8.529 -1.130 -6.833 1.00 0.00 C ATOM 467 C THR A 31 7.300 -0.242 -6.664 1.00 0.00 C ATOM 468 O THR A 31 6.587 -0.355 -5.666 1.00 0.00 O ATOM 469 CB THR A 31 8.218 -2.328 -7.746 1.00 0.00 C ATOM 470 OG1 THR A 31 8.296 -1.945 -9.107 1.00 0.00 O ATOM 471 CG2 THR A 31 6.838 -2.912 -7.544 1.00 0.00 C ATOM 0 H THR A 31 8.264 -2.131 -5.019 1.00 0.00 H new ATOM 0 HA THR A 31 9.332 -0.568 -7.310 1.00 0.00 H new ATOM 0 HB THR A 31 8.961 -3.080 -7.481 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.097 -2.718 -9.676 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.695 -3.752 -8.224 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.736 -3.257 -6.515 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.087 -2.149 -7.747 1.00 0.00 H new ATOM 479 N THR A 32 7.058 0.647 -7.615 1.00 0.00 N ATOM 480 CA THR A 32 5.917 1.546 -7.522 1.00 0.00 C ATOM 481 C THR A 32 5.015 1.446 -8.744 1.00 0.00 C ATOM 482 O THR A 32 5.391 0.875 -9.767 1.00 0.00 O ATOM 483 CB THR A 32 6.396 2.977 -7.312 1.00 0.00 C ATOM 484 OG1 THR A 32 7.058 3.469 -8.464 1.00 0.00 O ATOM 485 CG2 THR A 32 7.343 3.090 -6.140 1.00 0.00 C ATOM 0 H THR A 32 7.629 0.765 -8.452 1.00 0.00 H new ATOM 0 HA THR A 32 5.320 1.244 -6.662 1.00 0.00 H new ATOM 0 HB THR A 32 5.503 3.569 -7.111 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.718 4.363 -8.680 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.660 4.127 -6.027 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.838 2.763 -5.231 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.216 2.461 -6.316 1.00 0.00 H new ATOM 493 N PHE A 33 3.805 1.977 -8.609 1.00 0.00 N ATOM 494 CA PHE A 33 2.821 1.924 -9.677 1.00 0.00 C ATOM 495 C PHE A 33 2.212 3.302 -9.951 1.00 0.00 C ATOM 496 O PHE A 33 2.486 4.266 -9.238 1.00 0.00 O ATOM 497 CB PHE A 33 1.739 0.911 -9.321 1.00 0.00 C ATOM 498 CG PHE A 33 2.267 -0.484 -9.116 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.178 -0.761 -8.110 1.00 0.00 C ATOM 500 CD2 PHE A 33 1.860 -1.514 -9.938 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.672 -2.040 -7.931 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.349 -2.791 -9.768 1.00 0.00 C ATOM 503 CZ PHE A 33 3.255 -3.059 -8.768 1.00 0.00 C ATOM 0 H PHE A 33 3.484 2.451 -7.765 1.00 0.00 H new ATOM 0 HA PHE A 33 3.320 1.609 -10.593 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.232 1.236 -8.412 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.992 0.895 -10.114 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.507 0.033 -7.456 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.148 -1.317 -10.726 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.380 -2.242 -7.141 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.020 -3.585 -10.422 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.639 -4.060 -8.637 1.00 0.00 H new ATOM 513 N GLU A 34 1.418 3.388 -11.016 1.00 0.00 N ATOM 514 CA GLU A 34 0.800 4.647 -11.431 1.00 0.00 C ATOM 515 C GLU A 34 -0.178 5.209 -10.399 1.00 0.00 C ATOM 516 O GLU A 34 -0.160 6.409 -10.127 1.00 0.00 O ATOM 517 CB GLU A 34 0.076 4.449 -12.760 1.00 0.00 C ATOM 518 CG GLU A 34 -0.964 3.340 -12.722 1.00 0.00 C ATOM 519 CD GLU A 34 -2.331 3.812 -12.262 1.00 0.00 C ATOM 520 OE1 GLU A 34 -2.663 4.993 -12.497 1.00 0.00 O ATOM 521 OE2 GLU A 34 -3.066 2.996 -11.666 1.00 0.00 O ATOM 0 H GLU A 34 1.186 2.594 -11.612 1.00 0.00 H new ATOM 0 HA GLU A 34 1.606 5.373 -11.534 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.410 5.383 -13.043 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.809 4.223 -13.534 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.054 2.902 -13.716 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.618 2.550 -12.056 1.00 0.00 H new ATOM 528 N ASN A 35 -1.043 4.370 -9.834 1.00 0.00 N ATOM 529 CA ASN A 35 -2.006 4.863 -8.859 1.00 0.00 C ATOM 530 C ASN A 35 -2.585 3.763 -7.986 1.00 0.00 C ATOM 531 O ASN A 35 -2.482 3.817 -6.761 1.00 0.00 O ATOM 532 CB ASN A 35 -3.137 5.607 -9.562 1.00 0.00 C ATOM 533 CG ASN A 35 -3.977 6.410 -8.589 1.00 0.00 C ATOM 534 OD1 ASN A 35 -4.852 5.727 -7.862 1.00 0.00 O flip ATOM 535 ND2 ASN A 35 -3.836 7.629 -8.489 1.00 0.00 N flip ATOM 0 H ASN A 35 -1.096 3.370 -10.029 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.461 5.542 -8.203 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.719 6.274 -10.316 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.772 4.892 -10.085 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.150 8.112 -9.069 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.405 8.156 -7.826 1.00 0.00 H new ATOM 542 N GLY A 36 -3.204 2.780 -8.611 1.00 0.00 N ATOM 543 CA GLY A 36 -3.803 1.690 -7.856 1.00 0.00 C ATOM 544 C GLY A 36 -4.148 0.485 -8.708 1.00 0.00 C ATOM 545 O GLY A 36 -3.909 -0.651 -8.303 1.00 0.00 O ATOM 0 H GLY A 36 -3.306 2.711 -9.624 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.116 1.383 -7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.708 2.051 -7.367 1.00 0.00 H new ATOM 549 N ASN A 37 -4.723 0.730 -9.877 1.00 0.00 N ATOM 550 CA ASN A 37 -5.119 -0.350 -10.771 1.00 0.00 C ATOM 551 C ASN A 37 -3.914 -1.095 -11.331 1.00 0.00 C ATOM 552 O ASN A 37 -4.013 -2.270 -11.682 1.00 0.00 O ATOM 553 CB ASN A 37 -5.985 0.192 -11.909 1.00 0.00 C ATOM 554 CG ASN A 37 -7.434 0.371 -11.492 1.00 0.00 C ATOM 555 OD1 ASN A 37 -8.094 -0.730 -11.151 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -7.952 1.488 -11.479 1.00 0.00 N flip ATOM 0 H ASN A 37 -4.926 1.666 -10.229 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.702 -1.062 -10.186 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.584 1.149 -12.244 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.935 -0.490 -12.758 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.406 2.306 -11.749 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.927 1.595 -11.198 1.00 0.00 H new ATOM 563 N GLU A 38 -2.780 -0.413 -11.423 1.00 0.00 N ATOM 564 CA GLU A 38 -1.575 -1.039 -11.952 1.00 0.00 C ATOM 565 C GLU A 38 -1.176 -2.265 -11.130 1.00 0.00 C ATOM 566 O GLU A 38 -0.946 -3.335 -11.693 1.00 0.00 O ATOM 567 CB GLU A 38 -0.428 -0.035 -12.006 1.00 0.00 C ATOM 568 CG GLU A 38 0.678 -0.416 -12.981 1.00 0.00 C ATOM 569 CD GLU A 38 1.534 0.770 -13.388 1.00 0.00 C ATOM 570 OE1 GLU A 38 1.028 1.640 -14.127 1.00 0.00 O ATOM 571 OE2 GLU A 38 2.709 0.828 -12.966 1.00 0.00 O ATOM 0 H GLU A 38 -2.669 0.561 -11.142 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.793 -1.374 -12.966 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.825 0.941 -12.285 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.001 0.068 -11.009 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.312 -1.177 -12.526 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.234 -0.861 -13.871 1.00 0.00 H new ATOM 578 N VAL A 39 -1.092 -2.128 -9.803 1.00 0.00 N ATOM 579 CA VAL A 39 -0.716 -3.269 -8.970 1.00 0.00 C ATOM 580 C VAL A 39 -1.720 -4.407 -9.107 1.00 0.00 C ATOM 581 O VAL A 39 -1.349 -5.580 -9.078 1.00 0.00 O ATOM 582 CB VAL A 39 -0.587 -2.900 -7.484 1.00 0.00 C ATOM 583 CG1 VAL A 39 0.095 -4.021 -6.726 1.00 0.00 C ATOM 584 CG2 VAL A 39 0.178 -1.606 -7.313 1.00 0.00 C ATOM 0 H VAL A 39 -1.274 -1.262 -9.295 1.00 0.00 H new ATOM 0 HA VAL A 39 0.261 -3.590 -9.331 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.588 -2.757 -7.078 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.181 -3.749 -5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.494 -4.933 -6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.089 -4.188 -7.140 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.256 -1.367 -6.252 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.177 -1.716 -7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.347 -0.802 -7.829 1.00 0.00 H new ATOM 594 N LEU A 40 -2.990 -4.056 -9.263 1.00 0.00 N ATOM 595 CA LEU A 40 -4.043 -5.053 -9.412 1.00 0.00 C ATOM 596 C LEU A 40 -3.754 -5.969 -10.591 1.00 0.00 C ATOM 597 O LEU A 40 -3.953 -7.183 -10.516 1.00 0.00 O ATOM 598 CB LEU A 40 -5.392 -4.364 -9.600 1.00 0.00 C ATOM 599 CG LEU A 40 -5.688 -3.253 -8.593 1.00 0.00 C ATOM 600 CD1 LEU A 40 -7.044 -2.631 -8.866 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.625 -3.793 -7.171 1.00 0.00 C ATOM 0 H LEU A 40 -3.316 -3.090 -9.290 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.076 -5.659 -8.507 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.433 -3.945 -10.605 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.180 -5.114 -9.535 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.928 -2.479 -8.703 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.236 -1.842 -8.138 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.055 -2.208 -9.871 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.817 -3.395 -8.786 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.838 -2.989 -6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.363 -4.586 -7.050 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.629 -4.191 -6.977 1.00 0.00 H new ATOM 613 N ALA A 41 -3.278 -5.377 -11.679 1.00 0.00 N ATOM 614 CA ALA A 41 -2.948 -6.128 -12.884 1.00 0.00 C ATOM 615 C ALA A 41 -1.618 -6.850 -12.730 1.00 0.00 C ATOM 616 O ALA A 41 -1.498 -8.035 -13.042 1.00 0.00 O ATOM 617 CB ALA A 41 -2.897 -5.197 -14.084 1.00 0.00 C ATOM 0 H ALA A 41 -3.111 -4.373 -11.752 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.727 -6.874 -13.042 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.650 -5.769 -14.978 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.868 -4.720 -14.216 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.137 -4.433 -13.920 1.00 0.00 H new ATOM 623 N ALA A 42 -0.624 -6.118 -12.250 1.00 0.00 N ATOM 624 CA ALA A 42 0.714 -6.667 -12.049 1.00 0.00 C ATOM 625 C ALA A 42 0.692 -7.805 -11.042 1.00 0.00 C ATOM 626 O ALA A 42 1.424 -8.785 -11.177 1.00 0.00 O ATOM 627 CB ALA A 42 1.674 -5.579 -11.587 1.00 0.00 C ATOM 0 H ALA A 42 -0.717 -5.136 -11.990 1.00 0.00 H new ATOM 0 HA ALA A 42 1.060 -7.061 -13.004 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.666 -6.007 -11.442 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.724 -4.794 -12.341 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.320 -5.157 -10.646 1.00 0.00 H new ATOM 633 N LEU A 43 -0.155 -7.667 -10.029 1.00 0.00 N ATOM 634 CA LEU A 43 -0.275 -8.682 -8.993 1.00 0.00 C ATOM 635 C LEU A 43 -0.779 -9.999 -9.573 1.00 0.00 C ATOM 636 O LEU A 43 -0.565 -11.066 -8.999 1.00 0.00 O ATOM 637 CB LEU A 43 -1.220 -8.210 -7.892 1.00 0.00 C ATOM 638 CG LEU A 43 -0.565 -7.370 -6.807 1.00 0.00 C ATOM 639 CD1 LEU A 43 -1.621 -6.714 -5.929 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.361 -8.238 -5.980 1.00 0.00 C ATOM 0 H LEU A 43 -0.768 -6.862 -9.904 1.00 0.00 H new ATOM 0 HA LEU A 43 0.716 -8.845 -8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.023 -7.630 -8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.680 -9.083 -7.428 1.00 0.00 H new ATOM 0 HG LEU A 43 0.021 -6.578 -7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.134 -6.117 -5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.254 -6.071 -6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.233 -7.484 -5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.829 -7.633 -5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.211 -9.043 -5.518 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.132 -8.663 -6.623 1.00 0.00 H new ATOM 652 N ALA A 44 -1.452 -9.909 -10.712 1.00 0.00 N ATOM 653 CA ALA A 44 -1.998 -11.083 -11.381 1.00 0.00 C ATOM 654 C ALA A 44 -0.916 -12.122 -11.670 1.00 0.00 C ATOM 655 O ALA A 44 -1.218 -13.295 -11.894 1.00 0.00 O ATOM 656 CB ALA A 44 -2.693 -10.669 -12.669 1.00 0.00 C ATOM 0 H ALA A 44 -1.634 -9.029 -11.195 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.724 -11.544 -10.712 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.099 -11.552 -13.164 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.503 -9.977 -12.439 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.976 -10.181 -13.329 1.00 0.00 H new ATOM 662 N SER A 45 0.343 -11.688 -11.668 1.00 0.00 N ATOM 663 CA SER A 45 1.458 -12.584 -11.935 1.00 0.00 C ATOM 664 C SER A 45 2.488 -12.571 -10.804 1.00 0.00 C ATOM 665 O SER A 45 3.519 -13.239 -10.893 1.00 0.00 O ATOM 666 CB SER A 45 2.137 -12.213 -13.255 1.00 0.00 C ATOM 667 OG SER A 45 1.887 -13.192 -14.249 1.00 0.00 O ATOM 0 H SER A 45 0.613 -10.722 -11.484 1.00 0.00 H new ATOM 0 HA SER A 45 1.050 -13.592 -12.005 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.773 -11.243 -13.595 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.211 -12.114 -13.100 1.00 0.00 H new ATOM 0 HG SER A 45 2.330 -12.931 -15.083 1.00 0.00 H new ATOM 673 N LYS A 46 2.216 -11.816 -9.742 1.00 0.00 N ATOM 674 CA LYS A 46 3.135 -11.738 -8.612 1.00 0.00 C ATOM 675 C LYS A 46 2.431 -11.184 -7.376 1.00 0.00 C ATOM 676 O LYS A 46 1.438 -10.471 -7.485 1.00 0.00 O ATOM 677 CB LYS A 46 4.339 -10.864 -8.964 1.00 0.00 C ATOM 678 CG LYS A 46 5.676 -11.513 -8.651 1.00 0.00 C ATOM 679 CD LYS A 46 6.467 -10.695 -7.643 1.00 0.00 C ATOM 680 CE LYS A 46 7.103 -11.576 -6.580 1.00 0.00 C ATOM 681 NZ LYS A 46 7.394 -10.820 -5.332 1.00 0.00 N ATOM 0 H LYS A 46 1.371 -11.253 -9.641 1.00 0.00 H new ATOM 0 HA LYS A 46 3.483 -12.747 -8.388 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.303 -10.621 -10.026 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.265 -9.923 -8.419 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.512 -12.517 -8.259 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.254 -11.620 -9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.243 -10.131 -8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.809 -9.968 -7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.437 -12.409 -6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.027 -12.004 -6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.667 -11.484 -4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.173 -10.153 -5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.546 -10.294 -5.039 1.00 0.00 H new ATOM 695 N THR A 47 2.951 -11.520 -6.201 1.00 0.00 N ATOM 696 CA THR A 47 2.371 -11.055 -4.950 1.00 0.00 C ATOM 697 C THR A 47 3.452 -10.649 -3.945 1.00 0.00 C ATOM 698 O THR A 47 4.187 -11.504 -3.446 1.00 0.00 O ATOM 699 CB THR A 47 1.479 -12.147 -4.348 1.00 0.00 C ATOM 700 OG1 THR A 47 0.413 -12.464 -5.225 1.00 0.00 O ATOM 701 CG2 THR A 47 0.874 -11.768 -3.010 1.00 0.00 C ATOM 0 H THR A 47 3.773 -12.113 -6.090 1.00 0.00 H new ATOM 0 HA THR A 47 1.769 -10.173 -5.168 1.00 0.00 H new ATOM 0 HB THR A 47 2.139 -13.002 -4.198 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.144 -13.164 -4.824 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.256 -12.588 -2.645 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.671 -11.568 -2.294 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.260 -10.875 -3.128 1.00 0.00 H new ATOM 709 N PRO A 48 3.558 -9.348 -3.607 1.00 0.00 N ATOM 710 CA PRO A 48 4.544 -8.876 -2.639 1.00 0.00 C ATOM 711 C PRO A 48 4.090 -9.140 -1.207 1.00 0.00 C ATOM 712 O PRO A 48 2.909 -9.380 -0.960 1.00 0.00 O ATOM 713 CB PRO A 48 4.620 -7.376 -2.919 1.00 0.00 C ATOM 714 CG PRO A 48 3.269 -7.016 -3.432 1.00 0.00 C ATOM 715 CD PRO A 48 2.724 -8.242 -4.120 1.00 0.00 C ATOM 0 HA PRO A 48 5.505 -9.381 -2.735 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.862 -6.817 -2.015 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.395 -7.149 -3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.615 -6.708 -2.616 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.330 -6.178 -4.126 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.671 -8.395 -3.885 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.799 -8.157 -5.204 1.00 0.00 H new ATOM 723 N ASP A 49 5.027 -9.106 -0.268 1.00 0.00 N ATOM 724 CA ASP A 49 4.702 -9.354 1.131 1.00 0.00 C ATOM 725 C ASP A 49 3.969 -8.164 1.750 1.00 0.00 C ATOM 726 O ASP A 49 3.261 -8.311 2.746 1.00 0.00 O ATOM 727 CB ASP A 49 5.973 -9.661 1.927 1.00 0.00 C ATOM 728 CG ASP A 49 6.770 -10.806 1.333 1.00 0.00 C ATOM 729 OD1 ASP A 49 6.220 -11.923 1.233 1.00 0.00 O ATOM 730 OD2 ASP A 49 7.945 -10.587 0.969 1.00 0.00 O ATOM 0 H ASP A 49 6.012 -8.910 -0.448 1.00 0.00 H new ATOM 0 HA ASP A 49 4.039 -10.218 1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.598 -8.769 1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.704 -9.905 2.955 1.00 0.00 H new ATOM 735 N VAL A 50 4.143 -6.985 1.155 1.00 0.00 N ATOM 736 CA VAL A 50 3.504 -5.773 1.651 1.00 0.00 C ATOM 737 C VAL A 50 3.120 -4.862 0.484 1.00 0.00 C ATOM 738 O VAL A 50 3.626 -5.027 -0.625 1.00 0.00 O ATOM 739 CB VAL A 50 4.445 -5.021 2.612 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.742 -4.673 1.906 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.781 -3.774 3.177 1.00 0.00 C ATOM 0 H VAL A 50 4.723 -6.846 0.327 1.00 0.00 H new ATOM 0 HA VAL A 50 2.602 -6.058 2.193 1.00 0.00 H new ATOM 0 HB VAL A 50 4.670 -5.678 3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.400 -4.142 2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.230 -5.588 1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.529 -4.039 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.472 -3.267 3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.513 -3.103 2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.882 -4.057 3.725 1.00 0.00 H new ATOM 751 N LEU A 51 2.208 -3.921 0.723 1.00 0.00 N ATOM 752 CA LEU A 51 1.761 -3.022 -0.335 1.00 0.00 C ATOM 753 C LEU A 51 1.281 -1.683 0.220 1.00 0.00 C ATOM 754 O LEU A 51 0.515 -1.630 1.182 1.00 0.00 O ATOM 755 CB LEU A 51 0.643 -3.691 -1.143 1.00 0.00 C ATOM 756 CG LEU A 51 0.255 -2.984 -2.441 1.00 0.00 C ATOM 757 CD1 LEU A 51 1.373 -3.107 -3.463 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.037 -3.567 -2.996 1.00 0.00 C ATOM 0 H LEU A 51 1.769 -3.763 1.630 1.00 0.00 H new ATOM 0 HA LEU A 51 2.613 -2.819 -0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.951 -4.709 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.243 -3.766 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 51 0.094 -1.927 -2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.083 -2.599 -4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.280 -2.650 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.559 -4.160 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.300 -3.053 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.900 -4.629 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.837 -3.436 -2.268 1.00 0.00 H new ATOM 770 N LEU A 52 1.744 -0.604 -0.404 1.00 0.00 N ATOM 771 CA LEU A 52 1.382 0.753 0.001 1.00 0.00 C ATOM 772 C LEU A 52 0.514 1.411 -1.070 1.00 0.00 C ATOM 773 O LEU A 52 0.965 1.626 -2.194 1.00 0.00 O ATOM 774 CB LEU A 52 2.652 1.578 0.223 1.00 0.00 C ATOM 775 CG LEU A 52 2.660 2.458 1.473 1.00 0.00 C ATOM 776 CD1 LEU A 52 3.985 3.193 1.583 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.499 3.441 1.439 1.00 0.00 C ATOM 0 H LEU A 52 2.378 -0.644 -1.202 1.00 0.00 H new ATOM 0 HA LEU A 52 0.814 0.707 0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.501 0.897 0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.807 2.215 -0.648 1.00 0.00 H new ATOM 0 HG LEU A 52 2.541 1.824 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.982 3.817 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.798 2.470 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.128 3.820 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.520 4.060 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.586 4.077 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.558 2.892 1.399 1.00 0.00 H new ATOM 789 N SER A 53 -0.735 1.716 -0.724 1.00 0.00 N ATOM 790 CA SER A 53 -1.661 2.331 -1.673 1.00 0.00 C ATOM 791 C SER A 53 -1.989 3.780 -1.306 1.00 0.00 C ATOM 792 O SER A 53 -2.200 4.107 -0.139 1.00 0.00 O ATOM 793 CB SER A 53 -2.954 1.515 -1.732 1.00 0.00 C ATOM 794 OG SER A 53 -2.871 0.491 -2.708 1.00 0.00 O ATOM 0 H SER A 53 -1.128 1.548 0.202 1.00 0.00 H new ATOM 0 HA SER A 53 -1.173 2.339 -2.648 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.154 1.074 -0.755 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.792 2.173 -1.962 1.00 0.00 H new ATOM 0 HG SER A 53 -2.370 -0.268 -2.344 1.00 0.00 H new ATOM 800 N ASP A 54 -2.038 4.645 -2.318 1.00 0.00 N ATOM 801 CA ASP A 54 -2.357 6.055 -2.112 1.00 0.00 C ATOM 802 C ASP A 54 -3.867 6.264 -2.043 1.00 0.00 C ATOM 803 O ASP A 54 -4.642 5.315 -2.164 1.00 0.00 O ATOM 804 CB ASP A 54 -1.776 6.903 -3.241 1.00 0.00 C ATOM 805 CG ASP A 54 -2.205 6.412 -4.607 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.159 5.187 -4.836 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.593 7.252 -5.448 1.00 0.00 O ATOM 0 H ASP A 54 -1.860 4.392 -3.290 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.914 6.365 -1.165 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.091 7.939 -3.114 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.688 6.891 -3.178 1.00 0.00 H new ATOM 812 N ILE A 55 -4.280 7.515 -1.850 1.00 0.00 N ATOM 813 CA ILE A 55 -5.694 7.849 -1.766 1.00 0.00 C ATOM 814 C ILE A 55 -5.944 9.302 -2.179 1.00 0.00 C ATOM 815 O ILE A 55 -5.788 10.222 -1.377 1.00 0.00 O ATOM 816 CB ILE A 55 -6.219 7.605 -0.337 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.664 8.082 -0.184 1.00 0.00 C ATOM 818 CG2 ILE A 55 -5.318 8.276 0.685 1.00 0.00 C ATOM 819 CD1 ILE A 55 -8.560 7.069 0.497 1.00 0.00 C ATOM 0 H ILE A 55 -3.652 8.313 -1.749 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.234 7.202 -2.457 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.206 6.530 -0.156 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.675 9.009 0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.070 8.311 -1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.705 8.092 1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.310 7.868 0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.291 9.349 0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.570 7.470 0.574 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.578 6.149 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.177 6.857 1.495 1.00 0.00 H new ATOM 831 N ARG A 56 -6.328 9.503 -3.438 1.00 0.00 N ATOM 832 CA ARG A 56 -6.590 10.846 -3.949 1.00 0.00 C ATOM 833 C ARG A 56 -7.831 10.881 -4.847 1.00 0.00 C ATOM 834 O ARG A 56 -7.850 11.571 -5.866 1.00 0.00 O ATOM 835 CB ARG A 56 -5.370 11.367 -4.714 1.00 0.00 C ATOM 836 CG ARG A 56 -5.450 12.848 -5.059 1.00 0.00 C ATOM 837 CD ARG A 56 -4.228 13.608 -4.567 1.00 0.00 C ATOM 838 NE ARG A 56 -3.037 13.300 -5.356 1.00 0.00 N ATOM 839 CZ ARG A 56 -1.932 14.042 -5.353 1.00 0.00 C ATOM 840 NH1 ARG A 56 -1.859 15.133 -4.598 1.00 0.00 N ATOM 841 NH2 ARG A 56 -0.894 13.689 -6.100 1.00 0.00 N ATOM 0 H ARG A 56 -6.464 8.757 -4.120 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.783 11.493 -3.093 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.475 11.190 -4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.258 10.794 -5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.541 12.966 -6.139 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.348 13.277 -4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.425 14.679 -4.611 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.044 13.361 -3.521 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.054 12.467 -5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.652 15.405 -4.017 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.010 15.698 -4.599 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.943 12.849 -6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.047 14.258 -6.098 1.00 0.00 H new ATOM 855 N MET A 57 -8.869 10.148 -4.450 1.00 0.00 N ATOM 856 CA MET A 57 -10.124 10.107 -5.202 1.00 0.00 C ATOM 857 C MET A 57 -9.973 9.420 -6.564 1.00 0.00 C ATOM 858 O MET A 57 -10.453 9.927 -7.577 1.00 0.00 O ATOM 859 CB MET A 57 -10.682 11.520 -5.396 1.00 0.00 C ATOM 860 CG MET A 57 -12.190 11.547 -5.588 1.00 0.00 C ATOM 861 SD MET A 57 -13.069 12.146 -4.132 1.00 0.00 S ATOM 862 CE MET A 57 -14.260 13.254 -4.880 1.00 0.00 C ATOM 0 H MET A 57 -8.867 9.572 -3.608 1.00 0.00 H new ATOM 0 HA MET A 57 -10.822 9.514 -4.611 1.00 0.00 H new ATOM 0 HB2 MET A 57 -10.421 12.129 -4.530 1.00 0.00 H new ATOM 0 HB3 MET A 57 -10.204 11.977 -6.262 1.00 0.00 H new ATOM 0 HG2 MET A 57 -12.432 12.183 -6.440 1.00 0.00 H new ATOM 0 HG3 MET A 57 -12.539 10.543 -5.830 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.878 13.702 -4.102 1.00 0.00 H new ATOM 0 HE2 MET A 57 -13.735 14.039 -5.424 1.00 0.00 H new ATOM 0 HE3 MET A 57 -14.893 12.696 -5.570 1.00 0.00 H new ATOM 872 N PRO A 58 -9.323 8.243 -6.605 1.00 0.00 N ATOM 873 CA PRO A 58 -9.142 7.491 -7.850 1.00 0.00 C ATOM 874 C PRO A 58 -10.463 6.917 -8.366 1.00 0.00 C ATOM 875 O PRO A 58 -11.052 7.445 -9.309 1.00 0.00 O ATOM 876 CB PRO A 58 -8.181 6.367 -7.459 1.00 0.00 C ATOM 877 CG PRO A 58 -8.337 6.210 -5.984 1.00 0.00 C ATOM 878 CD PRO A 58 -8.733 7.556 -5.447 1.00 0.00 C ATOM 0 HA PRO A 58 -8.765 8.119 -8.657 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.425 5.442 -7.981 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.153 6.619 -7.721 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.096 5.462 -5.752 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.406 5.871 -5.530 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.449 7.465 -4.630 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.872 8.099 -5.057 1.00 0.00 H new ATOM 886 N GLY A 59 -10.927 5.839 -7.737 1.00 0.00 N ATOM 887 CA GLY A 59 -12.178 5.219 -8.136 1.00 0.00 C ATOM 888 C GLY A 59 -13.250 5.372 -7.074 1.00 0.00 C ATOM 889 O GLY A 59 -14.443 5.352 -7.377 1.00 0.00 O ATOM 0 H GLY A 59 -10.456 5.383 -6.955 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.524 5.667 -9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.011 4.160 -8.334 1.00 0.00 H new ATOM 893 N MET A 60 -12.817 5.534 -5.828 1.00 0.00 N ATOM 894 CA MET A 60 -13.730 5.704 -4.705 1.00 0.00 C ATOM 895 C MET A 60 -13.002 6.353 -3.536 1.00 0.00 C ATOM 896 O MET A 60 -12.760 5.722 -2.501 1.00 0.00 O ATOM 897 CB MET A 60 -14.330 4.360 -4.280 1.00 0.00 C ATOM 898 CG MET A 60 -15.803 4.439 -3.917 1.00 0.00 C ATOM 899 SD MET A 60 -16.881 4.215 -5.348 1.00 0.00 S ATOM 900 CE MET A 60 -18.346 5.097 -4.814 1.00 0.00 C ATOM 0 H MET A 60 -11.830 5.551 -5.570 1.00 0.00 H new ATOM 0 HA MET A 60 -14.547 6.354 -5.019 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.202 3.642 -5.090 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.774 3.978 -3.424 1.00 0.00 H new ATOM 0 HG2 MET A 60 -16.031 3.677 -3.171 1.00 0.00 H new ATOM 0 HG3 MET A 60 -16.010 5.406 -3.458 1.00 0.00 H new ATOM 0 HE1 MET A 60 -19.105 5.048 -5.595 1.00 0.00 H new ATOM 0 HE2 MET A 60 -18.733 4.641 -3.902 1.00 0.00 H new ATOM 0 HE3 MET A 60 -18.093 6.139 -4.619 1.00 0.00 H new ATOM 910 N ASP A 61 -12.636 7.619 -3.729 1.00 0.00 N ATOM 911 CA ASP A 61 -11.923 8.400 -2.721 1.00 0.00 C ATOM 912 C ASP A 61 -10.491 7.909 -2.530 1.00 0.00 C ATOM 913 O ASP A 61 -9.610 8.685 -2.176 1.00 0.00 O ATOM 914 CB ASP A 61 -12.677 8.367 -1.393 1.00 0.00 C ATOM 915 CG ASP A 61 -13.063 9.754 -0.914 1.00 0.00 C ATOM 916 OD1 ASP A 61 -14.165 10.220 -1.271 1.00 0.00 O ATOM 917 OD2 ASP A 61 -12.262 10.373 -0.182 1.00 0.00 O ATOM 0 H ASP A 61 -12.826 8.132 -4.590 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.872 9.429 -3.078 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.576 7.760 -1.503 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.057 7.884 -0.638 1.00 0.00 H new ATOM 922 N GLY A 62 -10.274 6.620 -2.764 1.00 0.00 N ATOM 923 CA GLY A 62 -8.959 6.035 -2.610 1.00 0.00 C ATOM 924 C GLY A 62 -9.058 4.646 -2.039 1.00 0.00 C ATOM 925 O GLY A 62 -8.227 3.782 -2.317 1.00 0.00 O ATOM 0 H GLY A 62 -10.996 5.964 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.455 6.001 -3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.352 6.660 -1.955 1.00 0.00 H new ATOM 929 N LEU A 63 -10.101 4.429 -1.252 1.00 0.00 N ATOM 930 CA LEU A 63 -10.339 3.136 -0.651 1.00 0.00 C ATOM 931 C LEU A 63 -10.759 2.138 -1.725 1.00 0.00 C ATOM 932 O LEU A 63 -10.659 0.927 -1.533 1.00 0.00 O ATOM 933 CB LEU A 63 -11.399 3.232 0.446 1.00 0.00 C ATOM 934 CG LEU A 63 -11.292 4.465 1.348 1.00 0.00 C ATOM 935 CD1 LEU A 63 -12.125 5.614 0.798 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.705 4.126 2.770 1.00 0.00 C ATOM 0 H LEU A 63 -10.796 5.138 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.415 2.788 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.384 3.227 -0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.337 2.339 1.068 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.250 4.785 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.033 6.478 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.769 5.877 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.171 5.311 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.622 5.015 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.737 3.774 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.053 3.345 3.162 1.00 0.00 H new ATOM 948 N ALA A 64 -11.213 2.658 -2.870 1.00 0.00 N ATOM 949 CA ALA A 64 -11.626 1.806 -3.980 1.00 0.00 C ATOM 950 C ALA A 64 -10.515 0.827 -4.345 1.00 0.00 C ATOM 951 O ALA A 64 -10.778 -0.298 -4.769 1.00 0.00 O ATOM 952 CB ALA A 64 -11.985 2.657 -5.190 1.00 0.00 C ATOM 0 H ALA A 64 -11.302 3.658 -3.048 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.504 1.239 -3.671 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.292 2.010 -6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.804 3.329 -4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.117 3.242 -5.494 1.00 0.00 H new ATOM 958 N LEU A 65 -9.273 1.266 -4.165 1.00 0.00 N ATOM 959 CA LEU A 65 -8.114 0.433 -4.460 1.00 0.00 C ATOM 960 C LEU A 65 -8.170 -0.857 -3.651 1.00 0.00 C ATOM 961 O LEU A 65 -7.954 -1.948 -4.179 1.00 0.00 O ATOM 962 CB LEU A 65 -6.824 1.194 -4.137 1.00 0.00 C ATOM 963 CG LEU A 65 -5.663 0.954 -5.103 1.00 0.00 C ATOM 964 CD1 LEU A 65 -4.533 1.933 -4.825 1.00 0.00 C ATOM 965 CD2 LEU A 65 -5.169 -0.481 -4.995 1.00 0.00 C ATOM 0 H LEU A 65 -9.044 2.196 -3.815 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.125 0.184 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.046 2.261 -4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.502 0.919 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.018 1.118 -6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.714 1.750 -5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.896 2.953 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.178 1.799 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.343 -0.635 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.829 -0.673 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.981 -1.165 -5.241 1.00 0.00 H new ATOM 977 N LEU A 66 -8.469 -0.717 -2.363 1.00 0.00 N ATOM 978 CA LEU A 66 -8.565 -1.858 -1.462 1.00 0.00 C ATOM 979 C LEU A 66 -9.604 -2.860 -1.959 1.00 0.00 C ATOM 980 O LEU A 66 -9.364 -4.068 -1.964 1.00 0.00 O ATOM 981 CB LEU A 66 -8.916 -1.379 -0.050 1.00 0.00 C ATOM 982 CG LEU A 66 -7.894 -0.426 0.578 1.00 0.00 C ATOM 983 CD1 LEU A 66 -8.581 0.566 1.504 1.00 0.00 C ATOM 984 CD2 LEU A 66 -6.829 -1.213 1.327 1.00 0.00 C ATOM 0 H LEU A 66 -8.650 0.183 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.599 -2.361 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.885 -0.881 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.026 -2.249 0.597 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.410 0.137 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.837 1.233 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.306 1.151 0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.094 0.026 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.110 -0.523 1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.298 -1.801 2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.315 -1.880 0.635 1.00 0.00 H new ATOM 996 N LYS A 67 -10.759 -2.351 -2.378 1.00 0.00 N ATOM 997 CA LYS A 67 -11.838 -3.201 -2.881 1.00 0.00 C ATOM 998 C LYS A 67 -11.342 -4.136 -3.988 1.00 0.00 C ATOM 999 O LYS A 67 -11.532 -5.349 -3.920 1.00 0.00 O ATOM 1000 CB LYS A 67 -12.993 -2.344 -3.407 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.281 -3.126 -3.623 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.067 -2.593 -4.808 1.00 0.00 C ATOM 1003 CE LYS A 67 -15.532 -1.166 -4.575 1.00 0.00 C ATOM 1004 NZ LYS A 67 -16.375 -0.676 -5.696 1.00 0.00 N ATOM 0 H LYS A 67 -10.974 -1.354 -2.380 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.192 -3.811 -2.050 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.183 -1.534 -2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.694 -1.885 -4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.046 -4.178 -3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.895 -3.072 -2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.447 -2.632 -5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.931 -3.233 -4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.097 -1.114 -3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.666 -0.515 -4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.675 0.301 -5.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.827 -0.703 -6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.214 -1.283 -5.791 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.710 -3.562 -5.009 1.00 0.00 N ATOM 1019 CA GLN A 68 -10.192 -4.345 -6.132 1.00 0.00 C ATOM 1020 C GLN A 68 -9.172 -5.377 -5.669 1.00 0.00 C ATOM 1021 O GLN A 68 -9.072 -6.466 -6.235 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.533 -3.426 -7.159 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.438 -2.322 -7.670 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.663 -2.860 -8.379 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -12.834 -2.619 -7.803 1.00 0.00 O flip ATOM 1026 NE2 GLN A 68 -11.558 -3.489 -9.431 1.00 0.00 N flip ATOM 0 H GLN A 68 -10.544 -2.558 -5.083 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.037 -4.864 -6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.646 -2.977 -6.713 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.196 -4.026 -8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.751 -1.697 -6.834 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.878 -1.684 -8.353 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.637 -3.651 -9.839 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.392 -3.849 -9.896 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.402 -5.016 -4.653 1.00 0.00 N ATOM 1036 CA ILE A 69 -7.368 -5.894 -4.124 1.00 0.00 C ATOM 1037 C ILE A 69 -7.954 -7.194 -3.577 1.00 0.00 C ATOM 1038 O ILE A 69 -7.326 -8.249 -3.658 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.547 -5.167 -3.034 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.744 -4.029 -3.672 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.617 -6.125 -2.292 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.194 -3.041 -2.672 1.00 0.00 C ATOM 0 H ILE A 69 -8.474 -4.117 -4.176 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.705 -6.156 -4.949 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.242 -4.758 -2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.918 -4.454 -4.242 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.381 -3.499 -4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.058 -5.576 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.207 -6.906 -1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.922 -6.578 -2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.637 -2.264 -3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.016 -2.587 -2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.531 -3.557 -1.978 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.155 -7.116 -3.024 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.816 -8.291 -2.469 1.00 0.00 C ATOM 1056 C LYS A 70 -10.424 -9.165 -3.561 1.00 0.00 C ATOM 1057 O LYS A 70 -10.553 -10.379 -3.403 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.898 -7.876 -1.466 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.124 -7.231 -2.098 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.416 -7.760 -1.490 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.442 -8.079 -2.562 1.00 0.00 C ATOM 1062 NZ LYS A 70 -14.084 -9.309 -3.322 1.00 0.00 N ATOM 0 H LYS A 70 -9.693 -6.253 -2.947 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.056 -8.878 -1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.213 -8.756 -0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.464 -7.179 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.075 -6.150 -1.966 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.123 -7.421 -3.171 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.205 -8.657 -0.907 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.825 -7.021 -0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.421 -8.209 -2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.523 -7.237 -3.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.601 -9.322 -4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.061 -9.316 -3.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.340 -10.149 -2.764 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.814 -8.532 -4.657 1.00 0.00 N ATOM 1077 CA GLN A 71 -11.436 -9.232 -5.775 1.00 0.00 C ATOM 1078 C GLN A 71 -10.476 -10.204 -6.450 1.00 0.00 C ATOM 1079 O GLN A 71 -10.823 -11.354 -6.720 1.00 0.00 O ATOM 1080 CB GLN A 71 -11.955 -8.222 -6.799 1.00 0.00 C ATOM 1081 CG GLN A 71 -13.405 -7.821 -6.578 1.00 0.00 C ATOM 1082 CD GLN A 71 -13.681 -6.384 -6.974 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -13.174 -5.444 -6.186 1.00 0.00 O flip ATOM 1084 NE2 GLN A 71 -14.345 -6.120 -7.977 1.00 0.00 N flip ATOM 0 H GLN A 71 -10.710 -7.527 -4.798 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.266 -9.814 -5.374 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.331 -7.329 -6.765 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.852 -8.645 -7.798 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -14.053 -8.483 -7.153 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.660 -7.960 -5.527 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.716 -6.873 -8.556 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -14.523 -5.148 -8.229 1.00 0.00 H new ATOM 1093 N ARG A 72 -9.283 -9.725 -6.742 1.00 0.00 N ATOM 1094 CA ARG A 72 -8.273 -10.537 -7.413 1.00 0.00 C ATOM 1095 C ARG A 72 -7.345 -11.225 -6.422 1.00 0.00 C ATOM 1096 O ARG A 72 -7.183 -12.445 -6.445 1.00 0.00 O ATOM 1097 CB ARG A 72 -7.455 -9.672 -8.373 1.00 0.00 C ATOM 1098 CG ARG A 72 -8.186 -9.333 -9.663 1.00 0.00 C ATOM 1099 CD ARG A 72 -7.246 -8.742 -10.700 1.00 0.00 C ATOM 1100 NE ARG A 72 -7.016 -9.659 -11.816 1.00 0.00 N ATOM 1101 CZ ARG A 72 -7.897 -9.870 -12.793 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -9.057 -9.226 -12.798 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -7.621 -10.728 -13.766 1.00 0.00 N ATOM 0 H ARG A 72 -8.983 -8.774 -6.526 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.797 -11.312 -7.972 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.178 -8.746 -7.868 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.528 -10.192 -8.616 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.652 -10.233 -10.065 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.988 -8.625 -9.452 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.663 -7.809 -11.078 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.294 -8.498 -10.229 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.131 -10.166 -11.848 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.277 -8.566 -12.052 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.728 -9.391 -13.548 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.732 -11.228 -13.768 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.298 -10.887 -14.513 1.00 0.00 H new ATOM 1117 N HIS A 73 -6.724 -10.430 -5.573 1.00 0.00 N ATOM 1118 CA HIS A 73 -5.784 -10.946 -4.581 1.00 0.00 C ATOM 1119 C HIS A 73 -6.504 -11.433 -3.327 1.00 0.00 C ATOM 1120 O HIS A 73 -7.593 -10.962 -3.001 1.00 0.00 O ATOM 1121 CB HIS A 73 -4.760 -9.866 -4.225 1.00 0.00 C ATOM 1122 CG HIS A 73 -4.555 -8.881 -5.328 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -4.635 -7.533 -5.341 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -4.262 -9.257 -6.620 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -4.391 -7.122 -6.625 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -4.168 -8.183 -7.379 1.00 0.00 N flip ATOM 0 H HIS A 73 -6.850 -9.418 -5.546 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.268 -11.802 -5.015 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.090 -9.339 -3.330 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.808 -10.339 -3.984 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.130 -10.274 -6.959 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.382 -6.097 -6.965 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.959 -8.173 -8.377 1.00 0.00 H new ATOM 1135 N PRO A 74 -5.900 -12.399 -2.610 1.00 0.00 N ATOM 1136 CA PRO A 74 -6.487 -12.962 -1.391 1.00 0.00 C ATOM 1137 C PRO A 74 -6.492 -11.977 -0.225 1.00 0.00 C ATOM 1138 O PRO A 74 -7.532 -11.413 0.111 1.00 0.00 O ATOM 1139 CB PRO A 74 -5.595 -14.166 -1.074 1.00 0.00 C ATOM 1140 CG PRO A 74 -4.298 -13.897 -1.760 1.00 0.00 C ATOM 1141 CD PRO A 74 -4.603 -13.017 -2.944 1.00 0.00 C ATOM 0 HA PRO A 74 -7.535 -13.222 -1.540 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.454 -14.277 0.001 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.044 -15.092 -1.434 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.598 -13.406 -1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.831 -14.828 -2.081 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.829 -12.264 -3.091 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.663 -13.596 -3.866 1.00 0.00 H new ATOM 1149 N MET A 75 -5.332 -11.774 0.395 1.00 0.00 N ATOM 1150 CA MET A 75 -5.229 -10.859 1.524 1.00 0.00 C ATOM 1151 C MET A 75 -3.959 -10.024 1.446 1.00 0.00 C ATOM 1152 O MET A 75 -3.172 -9.971 2.391 1.00 0.00 O ATOM 1153 CB MET A 75 -5.274 -11.624 2.845 1.00 0.00 C ATOM 1154 CG MET A 75 -6.608 -12.308 3.099 1.00 0.00 C ATOM 1155 SD MET A 75 -6.435 -13.841 4.033 1.00 0.00 S ATOM 1156 CE MET A 75 -5.252 -14.723 3.020 1.00 0.00 C ATOM 0 H MET A 75 -4.457 -12.228 0.135 1.00 0.00 H new ATOM 0 HA MET A 75 -6.083 -10.184 1.479 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.483 -12.373 2.850 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.065 -10.935 3.663 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.263 -11.628 3.643 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.090 -12.521 2.145 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.653 -15.703 2.763 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.062 -14.158 2.108 1.00 0.00 H new ATOM 0 HE3 MET A 75 -4.320 -14.845 3.572 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.776 -9.368 0.313 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.615 -8.523 0.095 1.00 0.00 C ATOM 1168 C LEU A 76 -2.603 -7.344 1.067 1.00 0.00 C ATOM 1169 O LEU A 76 -3.449 -6.460 0.972 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.625 -7.993 -1.339 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.259 -7.668 -1.928 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -0.431 -6.848 -0.954 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.553 -8.954 -2.303 1.00 0.00 C ATOM 0 H LEU A 76 -4.422 -9.405 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.721 -9.124 0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.110 -8.732 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.238 -7.093 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.391 -7.066 -2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.540 -6.628 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.948 -5.914 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.290 -7.412 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.425 -8.722 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.428 -9.573 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.147 -9.494 -3.040 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.644 -7.303 2.012 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.544 -6.202 2.977 1.00 0.00 C ATOM 1187 C PRO A 77 -1.406 -4.853 2.271 1.00 0.00 C ATOM 1188 O PRO A 77 -0.497 -4.660 1.465 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.275 -6.528 3.780 1.00 0.00 C ATOM 1190 CG PRO A 77 0.463 -7.528 2.954 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.585 -8.303 2.214 1.00 0.00 C ATOM 0 HA PRO A 77 -2.433 -6.118 3.603 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.326 -5.634 3.947 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.523 -6.933 4.761 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.146 -7.035 2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.065 -8.185 3.582 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.209 -8.691 1.268 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.939 -9.157 2.791 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.324 -3.935 2.559 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.311 -2.617 1.927 1.00 0.00 C ATOM 1201 C VAL A 78 -2.162 -1.500 2.948 1.00 0.00 C ATOM 1202 O VAL A 78 -2.564 -1.635 4.102 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.597 -2.366 1.118 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.411 -1.195 0.166 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.000 -3.622 0.363 1.00 0.00 C ATOM 0 H VAL A 78 -3.085 -4.077 3.224 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.450 -2.612 1.259 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.399 -2.112 1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.331 -1.034 -0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.172 -0.297 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.597 -1.414 -0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.911 -3.429 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.201 -3.908 -0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.178 -4.431 1.071 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.580 -0.393 2.509 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.375 0.758 3.372 1.00 0.00 C ATOM 1217 C ILE A 79 -1.847 2.033 2.678 1.00 0.00 C ATOM 1218 O ILE A 79 -1.279 2.448 1.669 1.00 0.00 O ATOM 1219 CB ILE A 79 0.111 0.900 3.770 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.683 -0.457 4.206 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.270 1.931 4.878 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.085 -0.725 3.700 1.00 0.00 C ATOM 0 H ILE A 79 -1.240 -0.269 1.555 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.961 0.603 4.278 1.00 0.00 H new ATOM 0 HB ILE A 79 0.670 1.244 2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.685 -0.506 5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.023 -1.249 3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.323 2.018 5.146 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.097 2.897 4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.302 1.618 5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.418 -1.702 4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.088 -0.710 2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.760 0.044 4.075 1.00 0.00 H new ATOM 1234 N ILE A 80 -2.899 2.645 3.216 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.450 3.868 2.637 1.00 0.00 C ATOM 1236 C ILE A 80 -2.896 5.103 3.347 1.00 0.00 C ATOM 1237 O ILE A 80 -2.835 5.153 4.576 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.997 3.869 2.680 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.539 2.517 2.205 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.557 4.990 1.817 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -5.451 1.428 3.249 1.00 0.00 C ATOM 0 H ILE A 80 -3.386 2.316 4.049 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.144 3.901 1.591 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.313 4.036 3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.580 2.638 1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.986 2.205 1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.646 4.973 1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.194 5.949 2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.233 4.851 0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.853 0.500 2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.409 1.279 3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.028 1.718 4.127 1.00 0.00 H new ATOM 1253 N MET A 81 -2.451 6.083 2.557 1.00 0.00 N ATOM 1254 CA MET A 81 -1.851 7.311 3.096 1.00 0.00 C ATOM 1255 C MET A 81 -2.860 8.228 3.796 1.00 0.00 C ATOM 1256 O MET A 81 -2.478 9.029 4.648 1.00 0.00 O ATOM 1257 CB MET A 81 -1.137 8.081 1.978 1.00 0.00 C ATOM 1258 CG MET A 81 -2.068 8.785 1.000 1.00 0.00 C ATOM 1259 SD MET A 81 -1.349 10.300 0.336 1.00 0.00 S ATOM 1260 CE MET A 81 -0.512 9.669 -1.116 1.00 0.00 C ATOM 0 H MET A 81 -2.494 6.052 1.538 1.00 0.00 H new ATOM 0 HA MET A 81 -1.136 6.996 3.856 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.477 8.822 2.429 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.505 7.387 1.423 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.307 8.109 0.179 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.007 9.021 1.502 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.402 10.239 -1.286 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.262 8.619 -0.964 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.165 9.765 -1.983 1.00 0.00 H new ATOM 1270 N THR A 82 -4.133 8.128 3.436 1.00 0.00 N ATOM 1271 CA THR A 82 -5.153 8.981 4.047 1.00 0.00 C ATOM 1272 C THR A 82 -6.496 8.263 4.163 1.00 0.00 C ATOM 1273 O THR A 82 -6.747 7.275 3.475 1.00 0.00 O ATOM 1274 CB THR A 82 -5.315 10.276 3.249 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.052 10.851 2.965 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.144 11.323 3.964 1.00 0.00 C ATOM 0 H THR A 82 -4.484 7.476 2.735 1.00 0.00 H new ATOM 0 HA THR A 82 -4.816 9.222 5.055 1.00 0.00 H new ATOM 0 HB THR A 82 -5.834 9.987 2.335 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.176 11.677 2.453 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.219 12.215 3.342 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.142 10.929 4.154 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.668 11.579 4.911 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.354 8.769 5.047 1.00 0.00 N ATOM 1285 CA ALA A 83 -8.668 8.178 5.265 1.00 0.00 C ATOM 1286 C ALA A 83 -9.732 9.248 5.506 1.00 0.00 C ATOM 1287 O ALA A 83 -10.398 9.250 6.542 1.00 0.00 O ATOM 1288 CB ALA A 83 -8.613 7.216 6.444 1.00 0.00 C ATOM 0 H ALA A 83 -7.160 9.588 5.623 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.946 7.632 4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.598 6.777 6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.893 6.425 6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.308 7.756 7.340 1.00 0.00 H new ATOM 1294 N HIS A 84 -9.894 10.159 4.553 1.00 0.00 N ATOM 1295 CA HIS A 84 -10.886 11.223 4.695 1.00 0.00 C ATOM 1296 C HIS A 84 -12.309 10.695 4.466 1.00 0.00 C ATOM 1297 O HIS A 84 -12.933 10.178 5.391 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.581 12.413 3.769 1.00 0.00 C ATOM 1299 CG HIS A 84 -10.077 12.043 2.406 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -10.094 10.868 1.733 1.00 0.00 N flip ATOM 1301 CD2 HIS A 84 -9.484 12.955 1.560 1.00 0.00 C flip ATOM 1302 CE1 HIS A 84 -9.519 11.091 0.507 1.00 0.00 C flip ATOM 1303 NE2 HIS A 84 -9.158 12.359 0.428 1.00 0.00 N flip ATOM 0 H HIS A 84 -9.360 10.185 3.684 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.825 11.584 5.722 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.488 13.007 3.656 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.841 13.050 4.253 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.312 13.997 1.788 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.384 10.350 -0.267 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -8.705 12.802 -0.371 1.00 0.00 H new ATOM 1312 N SER A 85 -12.829 10.833 3.245 1.00 0.00 N ATOM 1313 CA SER A 85 -14.181 10.373 2.936 1.00 0.00 C ATOM 1314 C SER A 85 -14.194 8.924 2.456 1.00 0.00 C ATOM 1315 O SER A 85 -13.146 8.318 2.235 1.00 0.00 O ATOM 1316 CB SER A 85 -14.812 11.270 1.871 1.00 0.00 C ATOM 1317 OG SER A 85 -16.219 11.102 1.833 1.00 0.00 O ATOM 0 H SER A 85 -12.336 11.257 2.459 1.00 0.00 H new ATOM 0 HA SER A 85 -14.761 10.428 3.857 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.572 12.313 2.080 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.388 11.035 0.895 1.00 0.00 H new ATOM 0 HG SER A 85 -16.600 11.687 1.145 1.00 0.00 H new ATOM 1323 N ASP A 86 -15.399 8.380 2.291 1.00 0.00 N ATOM 1324 CA ASP A 86 -15.576 7.005 1.831 1.00 0.00 C ATOM 1325 C ASP A 86 -14.881 6.008 2.755 1.00 0.00 C ATOM 1326 O ASP A 86 -14.641 4.865 2.370 1.00 0.00 O ATOM 1327 CB ASP A 86 -15.040 6.853 0.406 1.00 0.00 C ATOM 1328 CG ASP A 86 -15.934 7.512 -0.625 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -16.683 8.441 -0.257 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -15.885 7.100 -1.804 1.00 0.00 O ATOM 0 H ASP A 86 -16.272 8.875 2.471 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.644 6.787 1.844 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.042 7.289 0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.939 5.794 0.170 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.559 6.444 3.972 1.00 0.00 N ATOM 1336 CA LEU A 87 -13.885 5.589 4.949 1.00 0.00 C ATOM 1337 C LEU A 87 -14.566 4.226 5.082 1.00 0.00 C ATOM 1338 O LEU A 87 -13.938 3.249 5.486 1.00 0.00 O ATOM 1339 CB LEU A 87 -13.834 6.287 6.314 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.437 6.693 6.788 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.511 7.386 8.140 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.532 5.475 6.868 1.00 0.00 C ATOM 0 H LEU A 87 -14.755 7.388 4.306 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.870 5.417 4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.459 7.179 6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.275 5.625 7.059 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.018 7.393 6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.508 7.667 8.460 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.129 8.280 8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.949 6.708 8.873 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.542 5.779 7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.951 4.756 7.572 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.453 5.015 5.883 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.849 4.167 4.742 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.610 2.920 4.830 1.00 0.00 C ATOM 1356 C ASP A 88 -15.845 1.764 4.190 1.00 0.00 C ATOM 1357 O ASP A 88 -15.757 0.675 4.758 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.970 3.081 4.150 1.00 0.00 C ATOM 1359 CG ASP A 88 -18.840 4.116 4.836 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -18.289 5.118 5.336 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -20.073 3.924 4.872 1.00 0.00 O ATOM 0 H ASP A 88 -16.386 4.965 4.403 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.760 2.691 5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.821 3.368 3.109 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -18.487 2.121 4.145 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.293 2.007 3.007 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.536 0.986 2.297 1.00 0.00 C ATOM 1368 C ALA A 89 -13.257 0.619 3.045 1.00 0.00 C ATOM 1369 O ALA A 89 -12.685 -0.448 2.827 1.00 0.00 O ATOM 1370 CB ALA A 89 -14.211 1.454 0.887 1.00 0.00 C ATOM 0 H ALA A 89 -15.356 2.901 2.521 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.155 0.091 2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.645 0.680 0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -15.137 1.650 0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.618 2.367 0.934 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.813 1.508 3.931 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.601 1.268 4.710 1.00 0.00 C ATOM 1378 C ALA A 90 -11.770 0.056 5.615 1.00 0.00 C ATOM 1379 O ALA A 90 -10.878 -0.787 5.714 1.00 0.00 O ATOM 1380 CB ALA A 90 -11.245 2.488 5.546 1.00 0.00 C ATOM 0 H ALA A 90 -13.272 2.397 4.127 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.790 1.073 4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.339 2.286 6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.077 3.342 4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.063 2.712 6.230 1.00 0.00 H new ATOM 1386 N VAL A 91 -12.915 -0.019 6.282 1.00 0.00 N ATOM 1387 CA VAL A 91 -13.195 -1.124 7.187 1.00 0.00 C ATOM 1388 C VAL A 91 -13.152 -2.463 6.457 1.00 0.00 C ATOM 1389 O VAL A 91 -12.535 -3.414 6.933 1.00 0.00 O ATOM 1390 CB VAL A 91 -14.555 -0.968 7.890 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -14.650 -1.932 9.064 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -14.763 0.472 8.350 1.00 0.00 C ATOM 0 H VAL A 91 -13.663 0.671 6.213 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.413 -1.104 7.946 1.00 0.00 H new ATOM 0 HB VAL A 91 -15.345 -1.209 7.179 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -15.616 -1.814 9.555 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -14.549 -2.956 8.703 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.853 -1.718 9.776 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -15.730 0.560 8.844 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.973 0.749 9.048 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -14.735 1.137 7.487 1.00 0.00 H new ATOM 1402 N SER A 92 -13.794 -2.531 5.293 1.00 0.00 N ATOM 1403 CA SER A 92 -13.796 -3.761 4.511 1.00 0.00 C ATOM 1404 C SER A 92 -12.377 -4.114 4.080 1.00 0.00 C ATOM 1405 O SER A 92 -12.087 -5.264 3.747 1.00 0.00 O ATOM 1406 CB SER A 92 -14.696 -3.634 3.280 1.00 0.00 C ATOM 1407 OG SER A 92 -14.203 -2.650 2.386 1.00 0.00 O ATOM 0 H SER A 92 -14.313 -1.758 4.876 1.00 0.00 H new ATOM 0 HA SER A 92 -14.190 -4.558 5.142 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.757 -4.595 2.770 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.708 -3.373 3.591 1.00 0.00 H new ATOM 0 HG SER A 92 -13.684 -1.985 2.885 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.491 -3.119 4.094 1.00 0.00 N ATOM 1414 CA ALA A 93 -10.103 -3.330 3.716 1.00 0.00 C ATOM 1415 C ALA A 93 -9.422 -4.265 4.703 1.00 0.00 C ATOM 1416 O ALA A 93 -8.714 -5.191 4.316 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.367 -2.003 3.630 1.00 0.00 C ATOM 0 H ALA A 93 -11.714 -2.161 4.364 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.077 -3.796 2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.330 -2.180 3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.845 -1.370 2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.398 -1.506 4.600 1.00 0.00 H new ATOM 1423 N TYR A 94 -9.662 -4.026 5.981 1.00 0.00 N ATOM 1424 CA TYR A 94 -9.093 -4.867 7.030 1.00 0.00 C ATOM 1425 C TYR A 94 -9.605 -6.295 6.878 1.00 0.00 C ATOM 1426 O TYR A 94 -8.962 -7.252 7.311 1.00 0.00 O ATOM 1427 CB TYR A 94 -9.462 -4.340 8.421 1.00 0.00 C ATOM 1428 CG TYR A 94 -9.385 -2.837 8.549 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -8.219 -2.156 8.233 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -10.477 -2.101 8.990 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -8.142 -0.782 8.349 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -10.408 -0.726 9.109 1.00 0.00 C ATOM 1433 CZ TYR A 94 -9.239 -0.072 8.788 1.00 0.00 C ATOM 1434 OH TYR A 94 -9.166 1.297 8.903 1.00 0.00 O ATOM 0 H TYR A 94 -10.244 -3.260 6.320 1.00 0.00 H new ATOM 0 HA TYR A 94 -8.008 -4.848 6.930 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -10.474 -4.664 8.664 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.797 -4.792 9.157 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.357 -2.709 7.891 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -11.394 -2.611 9.244 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.227 -0.266 8.097 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -11.266 -0.167 9.452 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.024 1.645 9.224 1.00 0.00 H new ATOM 1444 N GLN A 95 -10.773 -6.417 6.255 1.00 0.00 N ATOM 1445 CA GLN A 95 -11.398 -7.713 6.027 1.00 0.00 C ATOM 1446 C GLN A 95 -10.709 -8.438 4.877 1.00 0.00 C ATOM 1447 O GLN A 95 -10.515 -9.652 4.922 1.00 0.00 O ATOM 1448 CB GLN A 95 -12.897 -7.531 5.735 1.00 0.00 C ATOM 1449 CG GLN A 95 -13.536 -8.681 4.966 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.328 -8.576 3.466 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -12.880 -9.526 2.824 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -13.653 -7.418 2.894 1.00 0.00 N ATOM 0 H GLN A 95 -11.309 -5.626 5.897 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.291 -8.320 6.926 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.425 -7.405 6.680 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.034 -6.611 5.167 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.120 -9.624 5.320 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.605 -8.704 5.179 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -14.021 -6.655 3.461 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.534 -7.295 1.889 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.338 -7.685 3.845 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.671 -8.261 2.690 1.00 0.00 C ATOM 1463 C GLN A 96 -8.192 -8.511 2.968 1.00 0.00 C ATOM 1464 O GLN A 96 -7.553 -9.284 2.264 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.819 -7.352 1.470 1.00 0.00 C ATOM 1466 CG GLN A 96 -9.078 -6.033 1.596 1.00 0.00 C ATOM 1467 CD GLN A 96 -7.993 -5.871 0.553 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -7.492 -6.854 0.007 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -7.625 -4.627 0.274 1.00 0.00 N ATOM 0 H GLN A 96 -10.489 -6.678 3.788 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.150 -9.218 2.483 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.455 -7.880 0.589 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.877 -7.149 1.306 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.789 -5.212 1.506 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.635 -5.963 2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.070 -3.844 0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.897 -4.454 -0.420 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.653 -7.861 3.999 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.252 -8.049 4.337 1.00 0.00 C ATOM 1480 C GLY A 97 -5.464 -6.751 4.417 1.00 0.00 C ATOM 1481 O GLY A 97 -4.258 -6.775 4.666 1.00 0.00 O ATOM 0 H GLY A 97 -8.158 -7.212 4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.184 -8.565 5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.791 -8.698 3.592 1.00 0.00 H new ATOM 1485 N ALA A 98 -6.130 -5.616 4.215 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.456 -4.320 4.277 1.00 0.00 C ATOM 1487 C ALA A 98 -4.699 -4.167 5.597 1.00 0.00 C ATOM 1488 O ALA A 98 -5.081 -4.759 6.606 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.458 -3.190 4.105 1.00 0.00 C ATOM 0 H ALA A 98 -7.128 -5.566 4.009 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.735 -4.270 3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.939 -2.233 4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.952 -3.286 3.138 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.203 -3.240 4.900 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.621 -3.384 5.588 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.830 -3.183 6.793 1.00 0.00 C ATOM 1497 C PHE A 99 -3.482 -2.162 7.720 1.00 0.00 C ATOM 1498 O PHE A 99 -3.718 -2.443 8.895 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.408 -2.735 6.450 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.466 -2.827 7.618 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.398 -3.988 8.373 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.338 -1.755 7.969 1.00 0.00 C ATOM 1503 CE1 PHE A 99 0.458 -4.077 9.456 1.00 0.00 C ATOM 1504 CE2 PHE A 99 1.197 -1.841 9.049 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.256 -3.002 9.793 1.00 0.00 C ATOM 0 H PHE A 99 -3.281 -2.884 4.766 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.782 -4.141 7.310 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.027 -3.348 5.633 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.434 -1.706 6.091 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.020 -4.832 8.113 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.293 -0.842 7.393 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.502 -4.986 10.037 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.822 -1.000 9.310 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.926 -3.069 10.638 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.778 -0.977 7.190 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.409 0.075 7.985 1.00 0.00 C ATOM 1517 C ASP A 100 -4.537 1.373 7.197 1.00 0.00 C ATOM 1518 O ASP A 100 -4.377 1.393 5.977 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.628 0.314 9.284 1.00 0.00 C ATOM 1520 CG ASP A 100 -4.521 0.264 10.510 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -5.545 -0.448 10.468 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -4.194 0.936 11.510 1.00 0.00 O ATOM 0 H ASP A 100 -3.593 -0.722 6.220 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.414 -0.263 8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.844 -0.437 9.377 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.135 1.285 9.236 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.845 2.452 7.908 1.00 0.00 N ATOM 1528 CA TYR A 101 -5.023 3.758 7.290 1.00 0.00 C ATOM 1529 C TYR A 101 -4.288 4.839 8.074 1.00 0.00 C ATOM 1530 O TYR A 101 -4.070 4.707 9.278 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.512 4.098 7.213 1.00 0.00 C ATOM 1532 CG TYR A 101 -7.137 3.839 5.861 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.560 2.564 5.498 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.320 4.875 4.955 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -8.150 2.336 4.264 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.904 4.655 3.724 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.319 3.387 3.383 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.907 3.168 2.156 1.00 0.00 O ATOM 0 H TYR A 101 -4.977 2.446 8.919 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.605 3.719 6.284 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.045 3.517 7.965 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.647 5.149 7.468 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.427 1.742 6.186 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.999 5.872 5.219 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.476 1.343 3.993 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.035 5.473 3.031 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.440 3.691 1.471 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.910 5.907 7.383 1.00 0.00 N ATOM 1549 CA LEU A 102 -3.201 7.011 8.013 1.00 0.00 C ATOM 1550 C LEU A 102 -4.129 8.204 8.244 1.00 0.00 C ATOM 1551 O LEU A 102 -4.668 8.769 7.290 1.00 0.00 O ATOM 1552 CB LEU A 102 -2.016 7.434 7.143 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.642 7.069 7.701 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.575 5.592 8.032 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.446 7.436 6.713 1.00 0.00 C ATOM 0 H LEU A 102 -4.083 6.031 6.386 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.837 6.671 8.983 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.125 6.977 6.160 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -2.058 8.514 6.999 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.484 7.636 8.619 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.412 5.352 8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.333 5.351 8.777 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.755 5.008 7.129 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.418 7.169 7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.288 6.895 5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.416 8.508 6.520 1.00 0.00 H new ATOM 1567 N PRO A 103 -4.326 8.613 9.513 1.00 0.00 N ATOM 1568 CA PRO A 103 -5.186 9.749 9.847 1.00 0.00 C ATOM 1569 C PRO A 103 -4.570 11.075 9.420 1.00 0.00 C ATOM 1570 O PRO A 103 -5.067 11.738 8.511 1.00 0.00 O ATOM 1571 CB PRO A 103 -5.312 9.695 11.379 1.00 0.00 C ATOM 1572 CG PRO A 103 -4.700 8.397 11.793 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.729 8.018 10.713 1.00 0.00 C ATOM 0 HA PRO A 103 -6.145 9.687 9.333 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.797 10.536 11.843 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.356 9.751 11.688 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.193 8.496 12.753 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.464 7.629 11.914 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.733 8.415 10.908 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.629 6.937 10.621 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.484 11.460 10.086 1.00 0.00 N ATOM 1582 CA LYS A 104 -2.804 12.715 9.771 1.00 0.00 C ATOM 1583 C LYS A 104 -1.367 12.491 9.292 1.00 0.00 C ATOM 1584 O LYS A 104 -1.021 12.888 8.179 1.00 0.00 O ATOM 1585 CB LYS A 104 -2.817 13.660 10.978 1.00 0.00 C ATOM 1586 CG LYS A 104 -3.619 14.931 10.734 1.00 0.00 C ATOM 1587 CD LYS A 104 -3.991 15.622 12.036 1.00 0.00 C ATOM 1588 CE LYS A 104 -5.060 14.851 12.796 1.00 0.00 C ATOM 1589 NZ LYS A 104 -4.874 14.951 14.270 1.00 0.00 N ATOM 0 H LYS A 104 -3.058 10.925 10.843 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.356 13.176 8.952 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.233 13.135 11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.792 13.928 11.233 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.039 15.614 10.113 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.525 14.688 10.179 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.103 15.725 12.660 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.350 16.629 11.824 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.044 15.235 12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.034 13.803 12.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.622 14.413 14.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -3.945 14.562 14.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.925 15.949 14.559 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.499 11.861 10.111 1.00 0.00 N ATOM 1604 CA PRO A 105 0.896 11.616 9.729 1.00 0.00 C ATOM 1605 C PRO A 105 1.014 10.856 8.413 1.00 0.00 C ATOM 1606 O PRO A 105 0.083 10.166 8.001 1.00 0.00 O ATOM 1607 CB PRO A 105 1.458 10.774 10.885 1.00 0.00 C ATOM 1608 CG PRO A 105 0.262 10.282 11.627 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.788 11.343 11.458 1.00 0.00 C ATOM 0 HA PRO A 105 1.435 12.550 9.570 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.059 9.945 10.512 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.103 11.371 11.530 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.080 9.327 11.229 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.493 10.124 12.681 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.795 10.933 11.528 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.707 12.120 12.218 1.00 0.00 H new ATOM 1617 N PHE A 106 2.168 10.988 7.764 1.00 0.00 N ATOM 1618 CA PHE A 106 2.422 10.312 6.497 1.00 0.00 C ATOM 1619 C PHE A 106 3.918 10.347 6.162 1.00 0.00 C ATOM 1620 O PHE A 106 4.709 9.696 6.836 1.00 0.00 O ATOM 1621 CB PHE A 106 1.578 10.939 5.379 1.00 0.00 C ATOM 1622 CG PHE A 106 1.748 10.273 4.040 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.679 8.893 3.917 1.00 0.00 C ATOM 1624 CD2 PHE A 106 1.977 11.031 2.901 1.00 0.00 C ATOM 1625 CE1 PHE A 106 1.836 8.283 2.687 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.135 10.426 1.670 1.00 0.00 C ATOM 1627 CZ PHE A 106 2.064 9.051 1.562 1.00 0.00 C ATOM 0 H PHE A 106 2.944 11.560 8.097 1.00 0.00 H new ATOM 0 HA PHE A 106 2.128 9.266 6.588 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.527 10.897 5.664 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.841 11.993 5.286 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.500 8.288 4.793 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.032 12.107 2.978 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.781 7.208 2.606 1.00 0.00 H new ATOM 0 HE2 PHE A 106 2.314 11.028 0.791 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.187 8.577 0.599 1.00 0.00 H new ATOM 1637 N ASP A 107 4.313 11.103 5.127 1.00 0.00 N ATOM 1638 CA ASP A 107 5.723 11.196 4.734 1.00 0.00 C ATOM 1639 C ASP A 107 6.395 9.817 4.743 1.00 0.00 C ATOM 1640 O ASP A 107 5.768 8.812 5.066 1.00 0.00 O ATOM 1641 CB ASP A 107 6.469 12.161 5.660 1.00 0.00 C ATOM 1642 CG ASP A 107 6.464 11.706 7.104 1.00 0.00 C ATOM 1643 OD1 ASP A 107 6.968 10.596 7.378 1.00 0.00 O ATOM 1644 OD2 ASP A 107 5.957 12.457 7.963 1.00 0.00 O ATOM 0 H ASP A 107 3.678 11.656 4.551 1.00 0.00 H new ATOM 0 HA ASP A 107 5.765 11.581 3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.499 12.262 5.319 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.013 13.149 5.593 1.00 0.00 H new ATOM 1649 N ILE A 108 7.669 9.769 4.379 1.00 0.00 N ATOM 1650 CA ILE A 108 8.395 8.505 4.347 1.00 0.00 C ATOM 1651 C ILE A 108 8.602 7.942 5.748 1.00 0.00 C ATOM 1652 O ILE A 108 8.447 6.744 5.978 1.00 0.00 O ATOM 1653 CB ILE A 108 9.747 8.650 3.611 1.00 0.00 C ATOM 1654 CG1 ILE A 108 9.704 7.889 2.290 1.00 0.00 C ATOM 1655 CG2 ILE A 108 10.907 8.157 4.460 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.543 8.289 1.407 1.00 0.00 C ATOM 0 H ILE A 108 8.218 10.583 4.104 1.00 0.00 H new ATOM 0 HA ILE A 108 7.782 7.797 3.790 1.00 0.00 H new ATOM 0 HB ILE A 108 9.908 9.710 3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.636 8.057 1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.644 6.820 2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.839 8.276 3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.955 8.737 5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.760 7.104 4.701 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.572 7.710 0.484 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.606 8.095 1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.614 9.351 1.172 1.00 0.00 H new ATOM 1668 N ASP A 109 8.960 8.812 6.671 1.00 0.00 N ATOM 1669 CA ASP A 109 9.205 8.407 8.053 1.00 0.00 C ATOM 1670 C ASP A 109 8.060 7.549 8.595 1.00 0.00 C ATOM 1671 O ASP A 109 8.279 6.414 9.013 1.00 0.00 O ATOM 1672 CB ASP A 109 9.409 9.633 8.945 1.00 0.00 C ATOM 1673 CG ASP A 109 10.669 10.402 8.595 1.00 0.00 C ATOM 1674 OD1 ASP A 109 11.671 9.761 8.216 1.00 0.00 O ATOM 1675 OD2 ASP A 109 10.654 11.648 8.704 1.00 0.00 O ATOM 0 H ASP A 109 9.090 9.808 6.495 1.00 0.00 H new ATOM 0 HA ASP A 109 10.114 7.806 8.063 1.00 0.00 H new ATOM 0 HB2 ASP A 109 8.547 10.293 8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 109 9.458 9.316 9.987 1.00 0.00 H new ATOM 1680 N GLU A 110 6.843 8.089 8.591 1.00 0.00 N ATOM 1681 CA GLU A 110 5.688 7.355 9.091 1.00 0.00 C ATOM 1682 C GLU A 110 5.221 6.305 8.092 1.00 0.00 C ATOM 1683 O GLU A 110 4.725 5.246 8.479 1.00 0.00 O ATOM 1684 CB GLU A 110 4.541 8.310 9.424 1.00 0.00 C ATOM 1685 CG GLU A 110 4.935 9.440 10.361 1.00 0.00 C ATOM 1686 CD GLU A 110 5.177 8.966 11.781 1.00 0.00 C ATOM 1687 OE1 GLU A 110 4.565 7.955 12.182 1.00 0.00 O ATOM 1688 OE2 GLU A 110 5.978 9.610 12.491 1.00 0.00 O ATOM 0 H GLU A 110 6.634 9.027 8.249 1.00 0.00 H new ATOM 0 HA GLU A 110 5.996 6.843 10.003 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.155 8.736 8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.728 7.742 9.876 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.838 9.921 9.984 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.149 10.195 10.363 1.00 0.00 H new ATOM 1695 N ALA A 111 5.388 6.595 6.808 1.00 0.00 N ATOM 1696 CA ALA A 111 4.986 5.658 5.766 1.00 0.00 C ATOM 1697 C ALA A 111 5.830 4.395 5.850 1.00 0.00 C ATOM 1698 O ALA A 111 5.313 3.301 6.073 1.00 0.00 O ATOM 1699 CB ALA A 111 5.107 6.293 4.389 1.00 0.00 C ATOM 0 H ALA A 111 5.796 7.465 6.464 1.00 0.00 H new ATOM 0 HA ALA A 111 3.940 5.394 5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.801 5.574 3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.465 7.172 4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.142 6.588 4.214 1.00 0.00 H new ATOM 1705 N VAL A 112 7.140 4.560 5.687 1.00 0.00 N ATOM 1706 CA VAL A 112 8.065 3.436 5.767 1.00 0.00 C ATOM 1707 C VAL A 112 7.975 2.766 7.132 1.00 0.00 C ATOM 1708 O VAL A 112 8.170 1.558 7.268 1.00 0.00 O ATOM 1709 CB VAL A 112 9.515 3.879 5.521 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.445 2.676 5.543 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.628 4.636 4.205 1.00 0.00 C ATOM 0 H VAL A 112 7.583 5.459 5.499 1.00 0.00 H new ATOM 0 HA VAL A 112 7.779 2.728 4.989 1.00 0.00 H new ATOM 0 HB VAL A 112 9.815 4.555 6.322 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.469 3.005 5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.383 2.186 6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.150 1.974 4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.663 4.941 4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.312 3.990 3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.990 5.519 4.237 1.00 0.00 H new ATOM 1721 N ALA A 113 7.670 3.559 8.139 1.00 0.00 N ATOM 1722 CA ALA A 113 7.534 3.051 9.494 1.00 0.00 C ATOM 1723 C ALA A 113 6.384 2.061 9.565 1.00 0.00 C ATOM 1724 O ALA A 113 6.492 0.994 10.166 1.00 0.00 O ATOM 1725 CB ALA A 113 7.272 4.196 10.450 1.00 0.00 C ATOM 0 H ALA A 113 7.511 4.562 8.046 1.00 0.00 H new ATOM 0 HA ALA A 113 8.460 2.549 9.775 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.171 3.808 11.464 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.104 4.899 10.412 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.352 4.706 10.164 1.00 0.00 H new ATOM 1731 N LEU A 114 5.278 2.451 8.946 1.00 0.00 N ATOM 1732 CA LEU A 114 4.071 1.641 8.919 1.00 0.00 C ATOM 1733 C LEU A 114 4.189 0.481 7.933 1.00 0.00 C ATOM 1734 O LEU A 114 3.493 -0.525 8.064 1.00 0.00 O ATOM 1735 CB LEU A 114 2.873 2.522 8.559 1.00 0.00 C ATOM 1736 CG LEU A 114 1.517 1.814 8.493 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.093 1.310 9.865 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.475 2.763 7.936 1.00 0.00 C ATOM 0 H LEU A 114 5.194 3.338 8.449 1.00 0.00 H new ATOM 0 HA LEU A 114 3.928 1.212 9.911 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.806 3.327 9.291 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.066 2.986 7.592 1.00 0.00 H new ATOM 0 HG LEU A 114 1.609 0.950 7.835 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.127 0.812 9.787 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.836 0.605 10.239 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.013 2.152 10.553 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.490 2.258 7.890 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.396 3.637 8.583 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.768 3.078 6.935 1.00 0.00 H new ATOM 1750 N VAL A 115 5.067 0.619 6.942 1.00 0.00 N ATOM 1751 CA VAL A 115 5.251 -0.439 5.949 1.00 0.00 C ATOM 1752 C VAL A 115 6.127 -1.568 6.488 1.00 0.00 C ATOM 1753 O VAL A 115 5.851 -2.745 6.257 1.00 0.00 O ATOM 1754 CB VAL A 115 5.831 0.090 4.613 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.330 0.325 4.713 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.508 -0.873 3.476 1.00 0.00 C ATOM 0 H VAL A 115 5.655 1.441 6.805 1.00 0.00 H new ATOM 0 HA VAL A 115 4.256 -0.833 5.744 1.00 0.00 H new ATOM 0 HB VAL A 115 5.362 1.050 4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.705 0.696 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.532 1.060 5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 115 7.830 -0.612 4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 115 5.922 -0.488 2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.944 -1.849 3.691 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.427 -0.972 3.379 1.00 0.00 H new ATOM 1766 N GLU A 116 7.185 -1.201 7.202 1.00 0.00 N ATOM 1767 CA GLU A 116 8.100 -2.185 7.768 1.00 0.00 C ATOM 1768 C GLU A 116 7.408 -3.036 8.825 1.00 0.00 C ATOM 1769 O GLU A 116 7.563 -4.257 8.850 1.00 0.00 O ATOM 1770 CB GLU A 116 9.319 -1.490 8.373 1.00 0.00 C ATOM 1771 CG GLU A 116 10.172 -0.771 7.342 1.00 0.00 C ATOM 1772 CD GLU A 116 11.241 0.101 7.970 1.00 0.00 C ATOM 1773 OE1 GLU A 116 11.117 0.421 9.171 1.00 0.00 O ATOM 1774 OE2 GLU A 116 12.201 0.464 7.260 1.00 0.00 O ATOM 0 H GLU A 116 7.430 -0.231 7.402 1.00 0.00 H new ATOM 0 HA GLU A 116 8.427 -2.841 6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 116 8.985 -0.773 9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.931 -2.229 8.890 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.645 -1.507 6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.530 -0.155 6.712 1.00 0.00 H new ATOM 1781 N ARG A 117 6.644 -2.389 9.697 1.00 0.00 N ATOM 1782 CA ARG A 117 5.931 -3.097 10.753 1.00 0.00 C ATOM 1783 C ARG A 117 4.921 -4.077 10.166 1.00 0.00 C ATOM 1784 O ARG A 117 4.562 -5.069 10.801 1.00 0.00 O ATOM 1785 CB ARG A 117 5.225 -2.103 11.674 1.00 0.00 C ATOM 1786 CG ARG A 117 4.139 -1.302 10.980 1.00 0.00 C ATOM 1787 CD ARG A 117 3.057 -0.871 11.954 1.00 0.00 C ATOM 1788 NE ARG A 117 3.519 0.186 12.850 1.00 0.00 N ATOM 1789 CZ ARG A 117 2.818 0.636 13.889 1.00 0.00 C ATOM 1790 NH1 ARG A 117 1.623 0.128 14.161 1.00 0.00 N ATOM 1791 NH2 ARG A 117 3.315 1.599 14.654 1.00 0.00 N ATOM 0 H ARG A 117 6.503 -1.379 9.694 1.00 0.00 H new ATOM 0 HA ARG A 117 6.659 -3.663 11.334 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.787 -2.644 12.512 1.00 0.00 H new ATOM 0 HB3 ARG A 117 5.963 -1.417 12.089 1.00 0.00 H new ATOM 0 HG2 ARG A 117 4.578 -0.422 10.510 1.00 0.00 H new ATOM 0 HG3 ARG A 117 3.696 -1.901 10.184 1.00 0.00 H new ATOM 0 HD2 ARG A 117 2.187 -0.521 11.398 1.00 0.00 H new ATOM 0 HD3 ARG A 117 2.735 -1.730 12.542 1.00 0.00 H new ATOM 0 HE ARG A 117 4.432 0.604 12.669 1.00 0.00 H new ATOM 0 HH11 ARG A 117 1.237 -0.611 13.573 1.00 0.00 H new ATOM 0 HH12 ARG A 117 1.090 0.476 14.958 1.00 0.00 H new ATOM 0 HH21 ARG A 117 4.232 1.993 14.446 1.00 0.00 H new ATOM 0 HH22 ARG A 117 2.780 1.945 15.450 1.00 0.00 H new ATOM 1805 N ALA A 118 4.468 -3.791 8.952 1.00 0.00 N ATOM 1806 CA ALA A 118 3.504 -4.645 8.276 1.00 0.00 C ATOM 1807 C ALA A 118 4.145 -5.955 7.838 1.00 0.00 C ATOM 1808 O ALA A 118 3.573 -7.029 8.020 1.00 0.00 O ATOM 1809 CB ALA A 118 2.901 -3.921 7.082 1.00 0.00 C ATOM 0 H ALA A 118 4.754 -2.972 8.416 1.00 0.00 H new ATOM 0 HA ALA A 118 2.707 -4.880 8.981 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.182 -4.573 6.586 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.397 -3.016 7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.692 -3.654 6.381 1.00 0.00 H new ATOM 1815 N ILE A 119 5.341 -5.862 7.265 1.00 0.00 N ATOM 1816 CA ILE A 119 6.061 -7.042 6.813 1.00 0.00 C ATOM 1817 C ILE A 119 6.514 -7.882 7.998 1.00 0.00 C ATOM 1818 O ILE A 119 6.621 -9.106 7.910 1.00 0.00 O ATOM 1819 CB ILE A 119 7.294 -6.660 5.973 1.00 0.00 C ATOM 1820 CG1 ILE A 119 6.920 -5.644 4.896 1.00 0.00 C ATOM 1821 CG2 ILE A 119 7.919 -7.895 5.341 1.00 0.00 C ATOM 1822 CD1 ILE A 119 7.992 -4.604 4.668 1.00 0.00 C ATOM 0 H ILE A 119 5.830 -4.981 7.104 1.00 0.00 H new ATOM 0 HA ILE A 119 5.374 -7.619 6.194 1.00 0.00 H new ATOM 0 HB ILE A 119 8.028 -6.204 6.638 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.726 -6.169 3.961 1.00 0.00 H new ATOM 0 HG13 ILE A 119 5.993 -5.146 5.180 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.788 -7.602 4.752 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.228 -8.588 6.124 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.189 -8.381 4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.667 -3.911 3.892 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.169 -4.055 5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.914 -5.094 4.355 1.00 0.00 H new ATOM 1834 N SER A 120 6.781 -7.205 9.105 1.00 0.00 N ATOM 1835 CA SER A 120 7.230 -7.860 10.325 1.00 0.00 C ATOM 1836 C SER A 120 6.101 -8.655 10.972 1.00 0.00 C ATOM 1837 O SER A 120 6.296 -9.795 11.395 1.00 0.00 O ATOM 1838 CB SER A 120 7.768 -6.821 11.309 1.00 0.00 C ATOM 1839 OG SER A 120 7.997 -7.396 12.583 1.00 0.00 O ATOM 0 H SER A 120 6.693 -6.192 9.183 1.00 0.00 H new ATOM 0 HA SER A 120 8.027 -8.556 10.062 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.697 -6.399 10.925 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.058 -5.999 11.400 1.00 0.00 H new ATOM 0 HG SER A 120 8.342 -6.712 13.194 1.00 0.00 H new ATOM 1845 N HIS A 121 4.921 -8.048 11.051 1.00 0.00 N ATOM 1846 CA HIS A 121 3.765 -8.702 11.653 1.00 0.00 C ATOM 1847 C HIS A 121 3.302 -9.884 10.806 1.00 0.00 C ATOM 1848 O HIS A 121 2.674 -10.814 11.312 1.00 0.00 O ATOM 1849 CB HIS A 121 2.621 -7.700 11.829 1.00 0.00 C ATOM 1850 CG HIS A 121 2.740 -6.875 13.071 1.00 0.00 C ATOM 1851 ND1 HIS A 121 3.374 -5.649 13.104 1.00 0.00 N ATOM 1852 CD2 HIS A 121 2.300 -7.102 14.331 1.00 0.00 C ATOM 1853 CE1 HIS A 121 3.320 -5.161 14.331 1.00 0.00 C ATOM 1854 NE2 HIS A 121 2.674 -6.022 15.094 1.00 0.00 N ATOM 0 H HIS A 121 4.740 -7.105 10.706 1.00 0.00 H new ATOM 0 HA HIS A 121 4.061 -9.079 12.632 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.591 -7.038 10.963 1.00 0.00 H new ATOM 0 HB3 HIS A 121 1.675 -8.240 11.850 1.00 0.00 H new ATOM 0 HD1 HIS A 121 3.815 -5.191 12.306 1.00 0.00 H new ATOM 0 HD2 HIS A 121 1.756 -7.970 14.673 1.00 0.00 H new ATOM 0 HE1 HIS A 121 3.734 -4.218 14.654 1.00 0.00 H new