USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 819 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 14 SER OG : rot 180:sc= 0.00693 USER MOD Set 1.2: A 17 SER OG : rot -87:sc= 1.2 USER MOD Single : A 1 VAL N :NH3+ -116:sc= -1.79 (180deg=-2.41!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.526 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= -0.9 USER MOD Single : A 15 MET CE :methyl -153:sc= -1.86! (180deg=-2.92!) USER MOD Single : A 21 SER OG : rot 80:sc= -0.336 USER MOD Single : A 22 ASN : amide:sc= -0.276 K(o=-0.28,f=1.1) USER MOD Single : A 25 HIS : no HD1:sc= -5.16 K(o=-5.2,f=-3.6!) USER MOD Single : A 28 MET CE :methyl -157:sc= -3.18 (180deg=-3.87) USER MOD Single : A 30 GLN : amide:sc= -0.0273 K(o=-0.027,f=-1.5!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.1!) USER MOD Single : A 54 SER OG : rot -109:sc= -3! USER MOD Single : A 56 SER OG : rot -130:sc= -0.106 USER MOD Single : A 59 THR OG1 : rot 101:sc= 0.0833 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc=-0.00723 K(o=-0.0072,f=-1.5!) USER MOD Single : A 69 ASN : amide:sc= -0.269 K(o=-0.27,f=-3.9!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 79:sc= 0.249 USER MOD Single : A 84 ASN : amide:sc= -2.38 K(o=-2.4,f=-15!) USER MOD Single : A 86 ASN : amide:sc= -4.14 K(o=-4.1,f=-10!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 88:sc= -0.823 USER MOD Single : A 92 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.291) USER MOD Single : A 96 SER OG : rot 180:sc=-0.00754 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00428 USER MOD Single : A 104 ASN : amide:sc= -0.316 K(o=-0.32,f=-2.8!) USER MOD Single : A 106 ASN : amide:sc=-0.00734 K(o=-0.0073,f=-1.7) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.4) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.718 K(o=-0.72,f=-1.7!) USER MOD Single : A 117 ASN : amide:sc= -0.007 K(o=-0.007,f=-1.2!) USER MOD Single : A 120 ASN : amide:sc= -0.0598 K(o=-0.06,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 90.374 -3.158 13.671 1.00 0.00 N ATOM 2 CA VAL A 1 90.262 -3.338 12.196 1.00 0.00 C ATOM 3 C VAL A 1 91.491 -4.076 11.659 1.00 0.00 C ATOM 4 O VAL A 1 92.610 -3.846 12.089 1.00 0.00 O ATOM 5 CB VAL A 1 90.159 -1.926 11.612 1.00 0.00 C ATOM 6 CG1 VAL A 1 88.910 -1.235 12.163 1.00 0.00 C ATOM 7 CG2 VAL A 1 91.393 -1.119 11.997 1.00 0.00 C ATOM 0 H1 VAL A 1 89.612 -3.685 14.144 1.00 0.00 H new ATOM 0 H2 VAL A 1 91.295 -3.515 13.995 1.00 0.00 H new ATOM 0 H3 VAL A 1 90.292 -2.148 13.905 1.00 0.00 H new ATOM 0 HA VAL A 1 89.395 -3.938 11.920 1.00 0.00 H new ATOM 0 HB VAL A 1 90.093 -1.991 10.526 1.00 0.00 H new ATOM 0 HG11 VAL A 1 88.837 -0.230 11.747 1.00 0.00 H new ATOM 0 HG12 VAL A 1 88.025 -1.808 11.886 1.00 0.00 H new ATOM 0 HG13 VAL A 1 88.977 -1.174 13.249 1.00 0.00 H new ATOM 0 HG21 VAL A 1 91.316 -0.115 11.580 1.00 0.00 H new ATOM 0 HG22 VAL A 1 91.462 -1.056 13.083 1.00 0.00 H new ATOM 0 HG23 VAL A 1 92.285 -1.608 11.604 1.00 0.00 H new ATOM 17 N SER A 2 91.276 -4.984 10.747 1.00 0.00 N ATOM 18 CA SER A 2 92.404 -5.774 10.177 1.00 0.00 C ATOM 19 C SER A 2 92.596 -5.449 8.696 1.00 0.00 C ATOM 20 O SER A 2 91.647 -5.243 7.965 1.00 0.00 O ATOM 21 CB SER A 2 91.993 -7.232 10.356 1.00 0.00 C ATOM 22 OG SER A 2 92.962 -8.073 9.744 1.00 0.00 O ATOM 0 H SER A 2 90.357 -5.215 10.369 1.00 0.00 H new ATOM 0 HA SER A 2 93.350 -5.550 10.670 1.00 0.00 H new ATOM 0 HB2 SER A 2 91.906 -7.470 11.416 1.00 0.00 H new ATOM 0 HB3 SER A 2 91.013 -7.403 9.910 1.00 0.00 H new ATOM 0 HG SER A 2 92.701 -9.011 9.859 1.00 0.00 H new ATOM 28 N ILE A 3 93.824 -5.399 8.258 1.00 0.00 N ATOM 29 CA ILE A 3 94.110 -5.086 6.828 1.00 0.00 C ATOM 30 C ILE A 3 94.739 -6.288 6.122 1.00 0.00 C ATOM 31 O ILE A 3 95.442 -7.077 6.722 1.00 0.00 O ATOM 32 CB ILE A 3 95.102 -3.915 6.862 1.00 0.00 C ATOM 33 CG1 ILE A 3 96.378 -4.327 7.607 1.00 0.00 C ATOM 34 CG2 ILE A 3 94.459 -2.709 7.563 1.00 0.00 C ATOM 35 CD1 ILE A 3 97.462 -3.274 7.373 1.00 0.00 C ATOM 0 H ILE A 3 94.649 -5.563 8.835 1.00 0.00 H new ATOM 0 HA ILE A 3 93.199 -4.841 6.282 1.00 0.00 H new ATOM 0 HB ILE A 3 95.361 -3.641 5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.175 -4.425 8.673 1.00 0.00 H new ATOM 0 HG13 ILE A 3 96.719 -5.301 7.256 1.00 0.00 H new ATOM 0 HG21 ILE A 3 95.167 -1.881 7.585 1.00 0.00 H new ATOM 0 HG22 ILE A 3 93.564 -2.407 7.020 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.189 -2.982 8.583 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.371 -3.564 7.901 1.00 0.00 H new ATOM 0 HD12 ILE A 3 97.671 -3.198 6.306 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.118 -2.309 7.745 1.00 0.00 H new ATOM 47 N SER A 4 94.500 -6.414 4.845 1.00 0.00 N ATOM 48 CA SER A 4 95.081 -7.540 4.061 1.00 0.00 C ATOM 49 C SER A 4 95.374 -7.045 2.646 1.00 0.00 C ATOM 50 O SER A 4 95.238 -5.869 2.363 1.00 0.00 O ATOM 51 CB SER A 4 94.007 -8.623 4.042 1.00 0.00 C ATOM 52 OG SER A 4 93.955 -9.255 5.314 1.00 0.00 O ATOM 0 H SER A 4 93.918 -5.774 4.304 1.00 0.00 H new ATOM 0 HA SER A 4 96.010 -7.921 4.486 1.00 0.00 H new ATOM 0 HB2 SER A 4 93.038 -8.186 3.800 1.00 0.00 H new ATOM 0 HB3 SER A 4 94.228 -9.357 3.267 1.00 0.00 H new ATOM 0 HG SER A 4 93.265 -9.950 5.306 1.00 0.00 H new ATOM 58 N TYR A 5 95.757 -7.919 1.752 1.00 0.00 N ATOM 59 CA TYR A 5 96.032 -7.472 0.355 1.00 0.00 C ATOM 60 C TYR A 5 95.509 -8.497 -0.658 1.00 0.00 C ATOM 61 O TYR A 5 95.486 -9.683 -0.392 1.00 0.00 O ATOM 62 CB TYR A 5 97.558 -7.341 0.260 1.00 0.00 C ATOM 63 CG TYR A 5 98.222 -8.667 0.560 1.00 0.00 C ATOM 64 CD1 TYR A 5 98.459 -9.584 -0.472 1.00 0.00 C ATOM 65 CD2 TYR A 5 98.603 -8.975 1.872 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.076 -10.809 -0.191 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.222 -10.200 2.150 1.00 0.00 C ATOM 68 CZ TYR A 5 99.458 -11.117 1.120 1.00 0.00 C ATOM 69 OH TYR A 5 100.068 -12.324 1.396 1.00 0.00 O ATOM 0 H TYR A 5 95.890 -8.915 1.927 1.00 0.00 H new ATOM 0 HA TYR A 5 95.532 -6.531 0.127 1.00 0.00 H new ATOM 0 HB2 TYR A 5 97.839 -7.004 -0.738 1.00 0.00 H new ATOM 0 HB3 TYR A 5 97.909 -6.585 0.962 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.166 -9.346 -1.484 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.420 -8.269 2.668 1.00 0.00 H new ATOM 0 HE1 TYR A 5 99.257 -11.517 -0.986 1.00 0.00 H new ATOM 0 HE2 TYR A 5 99.518 -10.437 3.161 1.00 0.00 H new ATOM 0 HH TYR A 5 100.269 -12.378 2.354 1.00 0.00 H new ATOM 79 N ASP A 6 95.105 -8.048 -1.825 1.00 0.00 N ATOM 80 CA ASP A 6 94.603 -8.997 -2.864 1.00 0.00 C ATOM 81 C ASP A 6 95.307 -8.710 -4.203 1.00 0.00 C ATOM 82 O ASP A 6 95.674 -7.583 -4.463 1.00 0.00 O ATOM 83 CB ASP A 6 93.095 -8.734 -2.967 1.00 0.00 C ATOM 84 CG ASP A 6 92.325 -10.040 -2.759 1.00 0.00 C ATOM 85 OD1 ASP A 6 92.479 -10.634 -1.704 1.00 0.00 O ATOM 86 OD2 ASP A 6 91.595 -10.425 -3.658 1.00 0.00 O1- ATOM 0 H ASP A 6 95.102 -7.066 -2.099 1.00 0.00 H new ATOM 0 HA ASP A 6 94.802 -10.038 -2.611 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.793 -8.000 -2.220 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.856 -8.312 -3.943 1.00 0.00 H new ATOM 91 N PRO A 7 95.497 -9.734 -5.006 1.00 0.00 N ATOM 92 CA PRO A 7 96.195 -9.554 -6.301 1.00 0.00 C ATOM 93 C PRO A 7 95.254 -9.073 -7.419 1.00 0.00 C ATOM 94 O PRO A 7 95.710 -8.735 -8.497 1.00 0.00 O ATOM 95 CB PRO A 7 96.720 -10.952 -6.609 1.00 0.00 C ATOM 96 CG PRO A 7 95.818 -11.902 -5.875 1.00 0.00 C ATOM 97 CD PRO A 7 95.095 -11.132 -4.795 1.00 0.00 C ATOM 0 HA PRO A 7 96.971 -8.791 -6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 7 96.704 -11.148 -7.681 1.00 0.00 H new ATOM 0 HB3 PRO A 7 97.753 -11.062 -6.280 1.00 0.00 H new ATOM 0 HG2 PRO A 7 95.103 -12.354 -6.562 1.00 0.00 H new ATOM 0 HG3 PRO A 7 96.398 -12.715 -5.438 1.00 0.00 H new ATOM 0 HD2 PRO A 7 94.015 -11.251 -4.878 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.378 -11.481 -3.802 1.00 0.00 H new ATOM 105 N ILE A 8 93.962 -9.047 -7.195 1.00 0.00 N ATOM 106 CA ILE A 8 93.030 -8.593 -8.284 1.00 0.00 C ATOM 107 C ILE A 8 93.174 -7.085 -8.538 1.00 0.00 C ATOM 108 O ILE A 8 93.122 -6.638 -9.669 1.00 0.00 O ATOM 109 CB ILE A 8 91.605 -8.954 -7.814 1.00 0.00 C ATOM 110 CG1 ILE A 8 91.205 -8.107 -6.597 1.00 0.00 C ATOM 111 CG2 ILE A 8 91.540 -10.441 -7.446 1.00 0.00 C ATOM 112 CD1 ILE A 8 89.746 -8.386 -6.239 1.00 0.00 C ATOM 0 H ILE A 8 93.514 -9.316 -6.319 1.00 0.00 H new ATOM 0 HA ILE A 8 93.260 -9.082 -9.231 1.00 0.00 H new ATOM 0 HB ILE A 8 90.911 -8.748 -8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 8 91.850 -8.341 -5.750 1.00 0.00 H new ATOM 0 HG13 ILE A 8 91.340 -7.048 -6.817 1.00 0.00 H new ATOM 0 HG21 ILE A 8 90.532 -10.690 -7.115 1.00 0.00 H new ATOM 0 HG22 ILE A 8 91.795 -11.043 -8.318 1.00 0.00 H new ATOM 0 HG23 ILE A 8 92.247 -10.648 -6.643 1.00 0.00 H new ATOM 0 HD11 ILE A 8 89.462 -7.785 -5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 8 89.108 -8.130 -7.085 1.00 0.00 H new ATOM 0 HD13 ILE A 8 89.625 -9.443 -6.001 1.00 0.00 H new ATOM 124 N TYR A 9 93.324 -6.298 -7.502 1.00 0.00 N ATOM 125 CA TYR A 9 93.438 -4.820 -7.699 1.00 0.00 C ATOM 126 C TYR A 9 94.800 -4.440 -8.283 1.00 0.00 C ATOM 127 O TYR A 9 95.606 -3.758 -7.685 1.00 0.00 O ATOM 128 CB TYR A 9 93.175 -4.175 -6.341 1.00 0.00 C ATOM 129 CG TYR A 9 91.788 -4.553 -5.883 1.00 0.00 C ATOM 130 CD1 TYR A 9 90.675 -4.192 -6.653 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.614 -5.272 -4.695 1.00 0.00 C ATOM 132 CE1 TYR A 9 89.388 -4.549 -6.234 1.00 0.00 C ATOM 133 CE2 TYR A 9 90.330 -5.629 -4.277 1.00 0.00 C ATOM 134 CZ TYR A 9 89.216 -5.268 -5.046 1.00 0.00 C ATOM 135 OH TYR A 9 87.954 -5.615 -4.624 1.00 0.00 O ATOM 0 H TYR A 9 93.372 -6.613 -6.533 1.00 0.00 H new ATOM 0 HA TYR A 9 92.709 -4.460 -8.425 1.00 0.00 H new ATOM 0 HB2 TYR A 9 93.916 -4.509 -5.615 1.00 0.00 H new ATOM 0 HB3 TYR A 9 93.266 -3.091 -6.414 1.00 0.00 H new ATOM 0 HD1 TYR A 9 90.810 -3.638 -7.570 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.472 -5.551 -4.102 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.529 -4.270 -6.827 1.00 0.00 H new ATOM 0 HE2 TYR A 9 90.196 -6.184 -3.360 1.00 0.00 H new ATOM 0 HH TYR A 9 88.016 -6.112 -3.782 1.00 0.00 H new ATOM 145 N ALA A 10 94.993 -4.855 -9.509 1.00 0.00 N ATOM 146 CA ALA A 10 96.225 -4.529 -10.281 1.00 0.00 C ATOM 147 C ALA A 10 95.867 -3.472 -11.329 1.00 0.00 C ATOM 148 O ALA A 10 94.721 -3.094 -11.483 1.00 0.00 O ATOM 149 CB ALA A 10 96.684 -5.837 -10.928 1.00 0.00 C ATOM 0 H ALA A 10 94.322 -5.426 -10.022 1.00 0.00 H new ATOM 0 HA ALA A 10 97.025 -4.126 -9.661 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.588 -5.658 -11.510 1.00 0.00 H new ATOM 0 HB2 ALA A 10 96.892 -6.573 -10.152 1.00 0.00 H new ATOM 0 HB3 ALA A 10 95.899 -6.213 -11.584 1.00 0.00 H new ATOM 155 N ALA A 11 96.860 -2.939 -11.988 1.00 0.00 N ATOM 156 CA ALA A 11 96.626 -1.832 -12.967 1.00 0.00 C ATOM 157 C ALA A 11 95.672 -2.207 -14.106 1.00 0.00 C ATOM 158 O ALA A 11 94.956 -1.347 -14.592 1.00 0.00 O ATOM 159 CB ALA A 11 98.008 -1.488 -13.525 1.00 0.00 C ATOM 0 H ALA A 11 97.834 -3.225 -11.891 1.00 0.00 H new ATOM 0 HA ALA A 11 96.143 -0.993 -12.466 1.00 0.00 H new ATOM 0 HB1 ALA A 11 97.916 -0.681 -14.252 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.660 -1.171 -12.711 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.434 -2.367 -14.010 1.00 0.00 H new ATOM 165 N ASP A 12 95.663 -3.432 -14.584 1.00 0.00 N ATOM 166 CA ASP A 12 94.752 -3.739 -15.737 1.00 0.00 C ATOM 167 C ASP A 12 93.362 -4.205 -15.280 1.00 0.00 C ATOM 168 O ASP A 12 92.568 -4.668 -16.076 1.00 0.00 O ATOM 169 CB ASP A 12 95.465 -4.814 -16.556 1.00 0.00 C ATOM 170 CG ASP A 12 96.678 -4.210 -17.277 1.00 0.00 C ATOM 171 OD1 ASP A 12 96.701 -3.003 -17.463 1.00 0.00 O1- ATOM 172 OD2 ASP A 12 97.562 -4.970 -17.638 1.00 0.00 O ATOM 0 H ASP A 12 96.227 -4.209 -14.240 1.00 0.00 H new ATOM 0 HA ASP A 12 94.564 -2.843 -16.328 1.00 0.00 H new ATOM 0 HB2 ASP A 12 95.787 -5.625 -15.903 1.00 0.00 H new ATOM 0 HB3 ASP A 12 94.777 -5.244 -17.284 1.00 0.00 H new ATOM 177 N LEU A 13 93.057 -4.075 -14.016 1.00 0.00 N ATOM 178 CA LEU A 13 91.714 -4.496 -13.509 1.00 0.00 C ATOM 179 C LEU A 13 90.646 -3.531 -14.020 1.00 0.00 C ATOM 180 O LEU A 13 90.734 -2.334 -13.820 1.00 0.00 O ATOM 181 CB LEU A 13 91.819 -4.406 -11.984 1.00 0.00 C ATOM 182 CG LEU A 13 90.507 -4.873 -11.349 1.00 0.00 C ATOM 183 CD1 LEU A 13 90.309 -6.369 -11.616 1.00 0.00 C ATOM 184 CD2 LEU A 13 90.558 -4.626 -9.842 1.00 0.00 C ATOM 0 H LEU A 13 93.683 -3.693 -13.307 1.00 0.00 H new ATOM 0 HA LEU A 13 91.439 -5.497 -13.841 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.645 -5.022 -11.630 1.00 0.00 H new ATOM 0 HB3 LEU A 13 92.035 -3.380 -11.684 1.00 0.00 H new ATOM 0 HG LEU A 13 89.676 -4.317 -11.783 1.00 0.00 H new ATOM 0 HD11 LEU A 13 89.374 -6.699 -11.163 1.00 0.00 H new ATOM 0 HD12 LEU A 13 90.273 -6.545 -12.691 1.00 0.00 H new ATOM 0 HD13 LEU A 13 91.139 -6.929 -11.184 1.00 0.00 H new ATOM 0 HD21 LEU A 13 89.625 -4.958 -9.387 1.00 0.00 H new ATOM 0 HD22 LEU A 13 91.390 -5.182 -9.410 1.00 0.00 H new ATOM 0 HD23 LEU A 13 90.696 -3.562 -9.652 1.00 0.00 H new ATOM 196 N SER A 14 89.642 -4.044 -14.683 1.00 0.00 N ATOM 197 CA SER A 14 88.570 -3.153 -15.214 1.00 0.00 C ATOM 198 C SER A 14 87.724 -2.605 -14.063 1.00 0.00 C ATOM 199 O SER A 14 87.393 -3.304 -13.125 1.00 0.00 O ATOM 200 CB SER A 14 87.735 -4.020 -16.154 1.00 0.00 C ATOM 201 OG SER A 14 87.256 -5.156 -15.446 1.00 0.00 O ATOM 0 H SER A 14 89.519 -5.037 -14.879 1.00 0.00 H new ATOM 0 HA SER A 14 88.977 -2.290 -15.741 1.00 0.00 H new ATOM 0 HB2 SER A 14 86.898 -3.445 -16.550 1.00 0.00 H new ATOM 0 HB3 SER A 14 88.337 -4.336 -17.006 1.00 0.00 H new ATOM 0 HG SER A 14 86.718 -5.713 -16.047 1.00 0.00 H new ATOM 207 N MET A 15 87.401 -1.344 -14.131 1.00 0.00 N ATOM 208 CA MET A 15 86.598 -0.694 -13.044 1.00 0.00 C ATOM 209 C MET A 15 85.172 -1.254 -12.969 1.00 0.00 C ATOM 210 O MET A 15 84.497 -1.092 -11.969 1.00 0.00 O ATOM 211 CB MET A 15 86.558 0.793 -13.409 1.00 0.00 C ATOM 212 CG MET A 15 87.975 1.372 -13.385 1.00 0.00 C ATOM 213 SD MET A 15 88.622 1.335 -11.694 1.00 0.00 S ATOM 214 CE MET A 15 87.507 2.576 -10.997 1.00 0.00 C ATOM 0 H MET A 15 87.659 -0.725 -14.899 1.00 0.00 H new ATOM 0 HA MET A 15 87.047 -0.878 -12.068 1.00 0.00 H new ATOM 0 HB2 MET A 15 86.119 0.922 -14.398 1.00 0.00 H new ATOM 0 HB3 MET A 15 85.923 1.332 -12.706 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.624 0.797 -14.046 1.00 0.00 H new ATOM 0 HG3 MET A 15 87.966 2.396 -13.759 1.00 0.00 H new ATOM 0 HE1 MET A 15 87.989 3.063 -10.149 1.00 0.00 H new ATOM 0 HE2 MET A 15 87.271 3.321 -11.757 1.00 0.00 H new ATOM 0 HE3 MET A 15 86.588 2.093 -10.664 1.00 0.00 H new ATOM 224 N GLY A 16 84.693 -1.888 -14.009 1.00 0.00 N ATOM 225 CA GLY A 16 83.299 -2.429 -13.992 1.00 0.00 C ATOM 226 C GLY A 16 83.186 -3.645 -13.070 1.00 0.00 C ATOM 227 O GLY A 16 82.094 -4.059 -12.727 1.00 0.00 O ATOM 0 H GLY A 16 85.209 -2.055 -14.873 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.609 -1.653 -13.660 1.00 0.00 H new ATOM 0 HA3 GLY A 16 83.002 -2.708 -15.003 1.00 0.00 H new ATOM 231 N SER A 17 84.286 -4.235 -12.683 1.00 0.00 N ATOM 232 CA SER A 17 84.219 -5.439 -11.804 1.00 0.00 C ATOM 233 C SER A 17 84.214 -5.062 -10.316 1.00 0.00 C ATOM 234 O SER A 17 84.044 -5.917 -9.467 1.00 0.00 O ATOM 235 CB SER A 17 85.473 -6.240 -12.147 1.00 0.00 C ATOM 236 OG SER A 17 86.623 -5.463 -11.840 1.00 0.00 O ATOM 0 H SER A 17 85.227 -3.935 -12.937 1.00 0.00 H new ATOM 0 HA SER A 17 83.300 -6.001 -11.970 1.00 0.00 H new ATOM 0 HB2 SER A 17 85.489 -7.173 -11.583 1.00 0.00 H new ATOM 0 HB3 SER A 17 85.471 -6.506 -13.204 1.00 0.00 H new ATOM 0 HG SER A 17 86.854 -4.902 -12.610 1.00 0.00 H new ATOM 242 N VAL A 18 84.416 -3.810 -9.985 1.00 0.00 N ATOM 243 CA VAL A 18 84.438 -3.417 -8.544 1.00 0.00 C ATOM 244 C VAL A 18 83.094 -2.805 -8.130 1.00 0.00 C ATOM 245 O VAL A 18 82.252 -2.514 -8.958 1.00 0.00 O ATOM 246 CB VAL A 18 85.575 -2.391 -8.443 1.00 0.00 C ATOM 247 CG1 VAL A 18 85.282 -1.176 -9.336 1.00 0.00 C ATOM 248 CG2 VAL A 18 85.733 -1.929 -6.998 1.00 0.00 C ATOM 0 H VAL A 18 84.566 -3.048 -10.647 1.00 0.00 H new ATOM 0 HA VAL A 18 84.597 -4.267 -7.880 1.00 0.00 H new ATOM 0 HB VAL A 18 86.498 -2.865 -8.778 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.098 -0.458 -9.253 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.188 -1.500 -10.372 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.351 -0.706 -9.017 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.542 -1.201 -6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 18 84.804 -1.470 -6.659 1.00 0.00 H new ATOM 0 HG23 VAL A 18 85.966 -2.786 -6.366 1.00 0.00 H new ATOM 258 N ALA A 19 82.893 -2.609 -6.851 1.00 0.00 N ATOM 259 CA ALA A 19 81.606 -2.016 -6.365 1.00 0.00 C ATOM 260 C ALA A 19 81.400 -0.635 -6.996 1.00 0.00 C ATOM 261 O ALA A 19 80.327 -0.313 -7.463 1.00 0.00 O ATOM 262 CB ALA A 19 81.766 -1.899 -4.842 1.00 0.00 C ATOM 0 H ALA A 19 83.566 -2.834 -6.119 1.00 0.00 H new ATOM 0 HA ALA A 19 80.741 -2.623 -6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 19 80.860 -1.471 -4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 19 81.937 -2.888 -4.417 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.615 -1.255 -4.614 1.00 0.00 H new ATOM 268 N CYS A 20 82.428 0.169 -7.028 1.00 0.00 N ATOM 269 CA CYS A 20 82.306 1.526 -7.654 1.00 0.00 C ATOM 270 C CYS A 20 82.414 1.378 -9.178 1.00 0.00 C ATOM 271 O CYS A 20 83.473 1.564 -9.748 1.00 0.00 O ATOM 272 CB CYS A 20 83.495 2.323 -7.108 1.00 0.00 C ATOM 273 SG CYS A 20 83.370 2.451 -5.303 1.00 0.00 S ATOM 0 H CYS A 20 83.349 -0.051 -6.649 1.00 0.00 H new ATOM 0 HA CYS A 20 81.359 2.017 -7.431 1.00 0.00 H new ATOM 0 HB2 CYS A 20 84.430 1.834 -7.383 1.00 0.00 H new ATOM 0 HB3 CYS A 20 83.513 3.318 -7.552 1.00 0.00 H new ATOM 278 N SER A 21 81.339 0.999 -9.839 1.00 0.00 N ATOM 279 CA SER A 21 81.410 0.789 -11.321 1.00 0.00 C ATOM 280 C SER A 21 80.831 1.963 -12.129 1.00 0.00 C ATOM 281 O SER A 21 81.568 2.789 -12.635 1.00 0.00 O ATOM 282 CB SER A 21 80.614 -0.491 -11.578 1.00 0.00 C ATOM 283 OG SER A 21 81.512 -1.588 -11.673 1.00 0.00 O ATOM 0 H SER A 21 80.426 0.828 -9.418 1.00 0.00 H new ATOM 0 HA SER A 21 82.448 0.716 -11.646 1.00 0.00 H new ATOM 0 HB2 SER A 21 79.901 -0.658 -10.771 1.00 0.00 H new ATOM 0 HB3 SER A 21 80.038 -0.397 -12.498 1.00 0.00 H new ATOM 0 HG SER A 21 81.768 -1.880 -10.773 1.00 0.00 H new ATOM 289 N ASN A 22 79.526 2.025 -12.291 1.00 0.00 N ATOM 290 CA ASN A 22 78.933 3.130 -13.114 1.00 0.00 C ATOM 291 C ASN A 22 77.769 3.838 -12.416 1.00 0.00 C ATOM 292 O ASN A 22 77.067 4.620 -13.029 1.00 0.00 O ATOM 293 CB ASN A 22 78.443 2.447 -14.389 1.00 0.00 C ATOM 294 CG ASN A 22 79.612 2.278 -15.357 1.00 0.00 C ATOM 295 OD1 ASN A 22 79.912 1.180 -15.783 1.00 0.00 O ATOM 296 ND2 ASN A 22 80.289 3.330 -15.726 1.00 0.00 N ATOM 0 H ASN A 22 78.855 1.367 -11.894 1.00 0.00 H new ATOM 0 HA ASN A 22 79.673 3.909 -13.297 1.00 0.00 H new ATOM 0 HB2 ASN A 22 78.011 1.475 -14.151 1.00 0.00 H new ATOM 0 HB3 ASN A 22 77.656 3.041 -14.853 1.00 0.00 H new ATOM 0 HD21 ASN A 22 81.071 3.232 -16.373 1.00 0.00 H new ATOM 0 HD22 ASN A 22 80.036 4.251 -15.368 1.00 0.00 H new ATOM 303 N GLY A 23 77.560 3.589 -11.155 1.00 0.00 N ATOM 304 CA GLY A 23 76.442 4.270 -10.435 1.00 0.00 C ATOM 305 C GLY A 23 76.842 5.722 -10.172 1.00 0.00 C ATOM 306 O GLY A 23 77.660 6.286 -10.875 1.00 0.00 O ATOM 0 H GLY A 23 78.112 2.945 -10.589 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.530 4.231 -11.030 1.00 0.00 H new ATOM 0 HA3 GLY A 23 76.231 3.760 -9.495 1.00 0.00 H new ATOM 310 N ASP A 24 76.295 6.319 -9.148 1.00 0.00 N ATOM 311 CA ASP A 24 76.664 7.728 -8.804 1.00 0.00 C ATOM 312 C ASP A 24 78.127 7.785 -8.367 1.00 0.00 C ATOM 313 O ASP A 24 78.845 8.706 -8.710 1.00 0.00 O ATOM 314 CB ASP A 24 75.744 8.112 -7.640 1.00 0.00 C ATOM 315 CG ASP A 24 74.298 8.252 -8.135 1.00 0.00 C ATOM 316 OD1 ASP A 24 74.106 8.436 -9.327 1.00 0.00 O ATOM 317 OD2 ASP A 24 73.404 8.175 -7.308 1.00 0.00 O1- ATOM 0 H ASP A 24 75.605 5.892 -8.530 1.00 0.00 H new ATOM 0 HA ASP A 24 76.549 8.406 -9.650 1.00 0.00 H new ATOM 0 HB2 ASP A 24 75.797 7.354 -6.859 1.00 0.00 H new ATOM 0 HB3 ASP A 24 76.077 9.050 -7.197 1.00 0.00 H new ATOM 322 N HIS A 25 78.575 6.816 -7.613 1.00 0.00 N ATOM 323 CA HIS A 25 80.000 6.822 -7.150 1.00 0.00 C ATOM 324 C HIS A 25 80.897 6.068 -8.142 1.00 0.00 C ATOM 325 O HIS A 25 82.068 5.862 -7.882 1.00 0.00 O ATOM 326 CB HIS A 25 80.008 6.095 -5.802 1.00 0.00 C ATOM 327 CG HIS A 25 78.999 6.706 -4.868 1.00 0.00 C ATOM 328 ND1 HIS A 25 79.093 8.012 -4.414 1.00 0.00 N ATOM 329 CD2 HIS A 25 77.864 6.190 -4.303 1.00 0.00 C ATOM 330 CE1 HIS A 25 78.037 8.235 -3.608 1.00 0.00 C ATOM 331 NE2 HIS A 25 77.255 7.156 -3.507 1.00 0.00 N ATOM 0 H HIS A 25 78.020 6.021 -7.297 1.00 0.00 H new ATOM 0 HA HIS A 25 80.380 7.841 -7.071 1.00 0.00 H new ATOM 0 HB2 HIS A 25 79.782 5.039 -5.950 1.00 0.00 H new ATOM 0 HB3 HIS A 25 81.002 6.149 -5.359 1.00 0.00 H new ATOM 0 HD2 HIS A 25 77.497 5.185 -4.452 1.00 0.00 H new ATOM 0 HE1 HIS A 25 77.846 9.171 -3.105 1.00 0.00 H new ATOM 0 HE2 HIS A 25 76.397 7.061 -2.964 1.00 0.00 H new ATOM 339 N GLY A 26 80.369 5.649 -9.273 1.00 0.00 N ATOM 340 CA GLY A 26 81.207 4.906 -10.262 1.00 0.00 C ATOM 341 C GLY A 26 82.384 5.774 -10.701 1.00 0.00 C ATOM 342 O GLY A 26 82.235 6.941 -11.007 1.00 0.00 O ATOM 0 H GLY A 26 79.397 5.791 -9.549 1.00 0.00 H new ATOM 0 HA2 GLY A 26 81.572 3.979 -9.819 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.605 4.630 -11.127 1.00 0.00 H new ATOM 346 N LEU A 27 83.548 5.194 -10.739 1.00 0.00 N ATOM 347 CA LEU A 27 84.762 5.947 -11.165 1.00 0.00 C ATOM 348 C LEU A 27 85.124 5.610 -12.623 1.00 0.00 C ATOM 349 O LEU A 27 86.038 6.181 -13.185 1.00 0.00 O ATOM 350 CB LEU A 27 85.864 5.477 -10.213 1.00 0.00 C ATOM 351 CG LEU A 27 85.477 5.819 -8.770 1.00 0.00 C ATOM 352 CD1 LEU A 27 86.521 5.238 -7.812 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.402 7.345 -8.594 1.00 0.00 C ATOM 0 H LEU A 27 83.714 4.219 -10.491 1.00 0.00 H new ATOM 0 HA LEU A 27 84.615 7.026 -11.124 1.00 0.00 H new ATOM 0 HB2 LEU A 27 86.013 4.402 -10.315 1.00 0.00 H new ATOM 0 HB3 LEU A 27 86.809 5.956 -10.470 1.00 0.00 H new ATOM 0 HG LEU A 27 84.500 5.389 -8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 27 86.247 5.480 -6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 27 86.561 4.155 -7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 27 87.499 5.664 -8.037 1.00 0.00 H new ATOM 0 HD21 LEU A 27 85.126 7.580 -7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.373 7.785 -8.819 1.00 0.00 H new ATOM 0 HD23 LEU A 27 84.653 7.753 -9.273 1.00 0.00 H new ATOM 365 N MET A 28 84.416 4.687 -13.236 1.00 0.00 N ATOM 366 CA MET A 28 84.718 4.312 -14.652 1.00 0.00 C ATOM 367 C MET A 28 84.520 5.507 -15.589 1.00 0.00 C ATOM 368 O MET A 28 85.237 5.669 -16.558 1.00 0.00 O ATOM 369 CB MET A 28 83.728 3.199 -15.007 1.00 0.00 C ATOM 370 CG MET A 28 84.068 2.657 -16.397 1.00 0.00 C ATOM 371 SD MET A 28 82.878 1.374 -16.864 1.00 0.00 S ATOM 372 CE MET A 28 83.491 0.071 -15.771 1.00 0.00 C ATOM 0 H MET A 28 83.640 4.178 -12.813 1.00 0.00 H new ATOM 0 HA MET A 28 85.754 3.990 -14.761 1.00 0.00 H new ATOM 0 HB2 MET A 28 83.779 2.399 -14.268 1.00 0.00 H new ATOM 0 HB3 MET A 28 82.708 3.583 -14.991 1.00 0.00 H new ATOM 0 HG2 MET A 28 84.050 3.466 -17.127 1.00 0.00 H new ATOM 0 HG3 MET A 28 85.078 2.247 -16.401 1.00 0.00 H new ATOM 0 HE1 MET A 28 83.194 -0.902 -16.162 1.00 0.00 H new ATOM 0 HE2 MET A 28 84.578 0.123 -15.717 1.00 0.00 H new ATOM 0 HE3 MET A 28 83.071 0.205 -14.774 1.00 0.00 H new ATOM 382 N ALA A 29 83.526 6.319 -15.327 1.00 0.00 N ATOM 383 CA ALA A 29 83.235 7.492 -16.219 1.00 0.00 C ATOM 384 C ALA A 29 84.502 8.300 -16.534 1.00 0.00 C ATOM 385 O ALA A 29 85.041 8.215 -17.623 1.00 0.00 O ATOM 386 CB ALA A 29 82.241 8.346 -15.431 1.00 0.00 C ATOM 0 H ALA A 29 82.898 6.222 -14.529 1.00 0.00 H new ATOM 0 HA ALA A 29 82.842 7.168 -17.183 1.00 0.00 H new ATOM 0 HB1 ALA A 29 81.975 9.227 -16.015 1.00 0.00 H new ATOM 0 HB2 ALA A 29 81.343 7.763 -15.225 1.00 0.00 H new ATOM 0 HB3 ALA A 29 82.695 8.657 -14.490 1.00 0.00 H new ATOM 392 N GLN A 30 84.980 9.078 -15.596 1.00 0.00 N ATOM 393 CA GLN A 30 86.214 9.887 -15.847 1.00 0.00 C ATOM 394 C GLN A 30 87.423 8.963 -15.954 1.00 0.00 C ATOM 395 O GLN A 30 88.309 9.165 -16.764 1.00 0.00 O ATOM 396 CB GLN A 30 86.361 10.787 -14.624 1.00 0.00 C ATOM 397 CG GLN A 30 85.255 11.835 -14.633 1.00 0.00 C ATOM 398 CD GLN A 30 85.280 12.635 -13.325 1.00 0.00 C ATOM 399 OE1 GLN A 30 86.067 12.361 -12.439 1.00 0.00 O ATOM 400 NE2 GLN A 30 84.437 13.616 -13.163 1.00 0.00 N ATOM 0 H GLN A 30 84.571 9.189 -14.668 1.00 0.00 H new ATOM 0 HA GLN A 30 86.148 10.459 -16.772 1.00 0.00 H new ATOM 0 HB2 GLN A 30 86.307 10.192 -13.712 1.00 0.00 H new ATOM 0 HB3 GLN A 30 87.337 11.272 -14.631 1.00 0.00 H new ATOM 0 HG2 GLN A 30 85.386 12.506 -15.482 1.00 0.00 H new ATOM 0 HG3 GLN A 30 84.286 11.352 -14.755 1.00 0.00 H new ATOM 0 HE21 GLN A 30 83.776 13.848 -13.904 1.00 0.00 H new ATOM 0 HE22 GLN A 30 84.438 14.152 -12.295 1.00 0.00 H new ATOM 409 N TYR A 31 87.465 7.963 -15.118 1.00 0.00 N ATOM 410 CA TYR A 31 88.616 7.015 -15.123 1.00 0.00 C ATOM 411 C TYR A 31 88.110 5.596 -15.418 1.00 0.00 C ATOM 412 O TYR A 31 87.731 4.887 -14.507 1.00 0.00 O ATOM 413 CB TYR A 31 89.203 7.089 -13.706 1.00 0.00 C ATOM 414 CG TYR A 31 89.474 8.530 -13.322 1.00 0.00 C ATOM 415 CD1 TYR A 31 90.702 9.119 -13.630 1.00 0.00 C ATOM 416 CD2 TYR A 31 88.488 9.271 -12.658 1.00 0.00 C ATOM 417 CE1 TYR A 31 90.950 10.451 -13.275 1.00 0.00 C ATOM 418 CE2 TYR A 31 88.735 10.603 -12.301 1.00 0.00 C ATOM 419 CZ TYR A 31 89.966 11.193 -12.610 1.00 0.00 C ATOM 420 OH TYR A 31 90.208 12.505 -12.259 1.00 0.00 O ATOM 0 H TYR A 31 86.745 7.760 -14.425 1.00 0.00 H new ATOM 0 HA TYR A 31 89.359 7.263 -15.881 1.00 0.00 H new ATOM 0 HB2 TYR A 31 88.510 6.640 -12.994 1.00 0.00 H new ATOM 0 HB3 TYR A 31 90.127 6.513 -13.658 1.00 0.00 H new ATOM 0 HD1 TYR A 31 91.461 8.547 -14.142 1.00 0.00 H new ATOM 0 HD2 TYR A 31 87.538 8.816 -12.421 1.00 0.00 H new ATOM 0 HE1 TYR A 31 91.900 10.906 -13.514 1.00 0.00 H new ATOM 0 HE2 TYR A 31 87.976 11.174 -11.788 1.00 0.00 H new ATOM 0 HH TYR A 31 89.421 12.873 -11.806 1.00 0.00 H new ATOM 430 N PRO A 32 88.095 5.221 -16.680 1.00 0.00 N ATOM 431 CA PRO A 32 87.596 3.872 -17.049 1.00 0.00 C ATOM 432 C PRO A 32 88.549 2.774 -16.560 1.00 0.00 C ATOM 433 O PRO A 32 88.168 1.622 -16.455 1.00 0.00 O ATOM 434 CB PRO A 32 87.531 3.913 -18.574 1.00 0.00 C ATOM 435 CG PRO A 32 88.515 4.966 -18.971 1.00 0.00 C ATOM 436 CD PRO A 32 88.533 5.984 -17.861 1.00 0.00 C ATOM 0 HA PRO A 32 86.633 3.641 -16.595 1.00 0.00 H new ATOM 0 HB2 PRO A 32 87.790 2.947 -19.007 1.00 0.00 H new ATOM 0 HB3 PRO A 32 86.527 4.159 -18.921 1.00 0.00 H new ATOM 0 HG2 PRO A 32 89.505 4.535 -19.116 1.00 0.00 H new ATOM 0 HG3 PRO A 32 88.227 5.428 -19.915 1.00 0.00 H new ATOM 0 HD2 PRO A 32 89.529 6.404 -17.719 1.00 0.00 H new ATOM 0 HD3 PRO A 32 87.862 6.817 -18.071 1.00 0.00 H new ATOM 444 N THR A 33 89.778 3.114 -16.255 1.00 0.00 N ATOM 445 CA THR A 33 90.744 2.083 -15.770 1.00 0.00 C ATOM 446 C THR A 33 91.311 2.495 -14.407 1.00 0.00 C ATOM 447 O THR A 33 91.569 3.656 -14.152 1.00 0.00 O ATOM 448 CB THR A 33 91.848 2.036 -16.825 1.00 0.00 C ATOM 449 OG1 THR A 33 91.276 1.728 -18.090 1.00 0.00 O ATOM 450 CG2 THR A 33 92.865 0.959 -16.450 1.00 0.00 C ATOM 0 H THR A 33 90.152 4.061 -16.321 1.00 0.00 H new ATOM 0 HA THR A 33 90.276 1.108 -15.638 1.00 0.00 H new ATOM 0 HB THR A 33 92.347 3.004 -16.875 1.00 0.00 H new ATOM 0 HG1 THR A 33 91.981 1.699 -18.770 1.00 0.00 H new ATOM 0 HG21 THR A 33 93.653 0.925 -17.202 1.00 0.00 H new ATOM 0 HG22 THR A 33 93.301 1.192 -15.479 1.00 0.00 H new ATOM 0 HG23 THR A 33 92.368 -0.010 -16.401 1.00 0.00 H new ATOM 458 N LEU A 34 91.488 1.542 -13.530 1.00 0.00 N ATOM 459 CA LEU A 34 92.020 1.849 -12.164 1.00 0.00 C ATOM 460 C LEU A 34 93.463 2.353 -12.237 1.00 0.00 C ATOM 461 O LEU A 34 94.343 1.661 -12.716 1.00 0.00 O ATOM 462 CB LEU A 34 91.978 0.508 -11.424 1.00 0.00 C ATOM 463 CG LEU A 34 92.389 0.710 -9.966 1.00 0.00 C ATOM 464 CD1 LEU A 34 91.329 1.555 -9.243 1.00 0.00 C ATOM 465 CD2 LEU A 34 92.511 -0.659 -9.286 1.00 0.00 C ATOM 0 H LEU A 34 91.286 0.557 -13.700 1.00 0.00 H new ATOM 0 HA LEU A 34 91.439 2.628 -11.670 1.00 0.00 H new ATOM 0 HB2 LEU A 34 90.974 0.086 -11.474 1.00 0.00 H new ATOM 0 HB3 LEU A 34 92.648 -0.205 -11.905 1.00 0.00 H new ATOM 0 HG LEU A 34 93.347 1.228 -9.922 1.00 0.00 H new ATOM 0 HD11 LEU A 34 91.624 1.698 -8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.242 2.525 -9.732 1.00 0.00 H new ATOM 0 HD13 LEU A 34 90.368 1.042 -9.280 1.00 0.00 H new ATOM 0 HD21 LEU A 34 92.804 -0.523 -8.245 1.00 0.00 H new ATOM 0 HD22 LEU A 34 91.551 -1.173 -9.329 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.265 -1.255 -9.800 1.00 0.00 H new ATOM 477 N GLY A 35 93.713 3.542 -11.758 1.00 0.00 N ATOM 478 CA GLY A 35 95.107 4.086 -11.788 1.00 0.00 C ATOM 479 C GLY A 35 95.094 5.618 -11.871 1.00 0.00 C ATOM 480 O GLY A 35 95.988 6.212 -12.445 1.00 0.00 O ATOM 0 H GLY A 35 93.015 4.162 -11.347 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.644 3.771 -10.894 1.00 0.00 H new ATOM 0 HA3 GLY A 35 95.644 3.676 -12.643 1.00 0.00 H new ATOM 484 N GLU A 36 94.113 6.264 -11.285 1.00 0.00 N ATOM 485 CA GLU A 36 94.068 7.753 -11.317 1.00 0.00 C ATOM 486 C GLU A 36 93.266 8.288 -10.133 1.00 0.00 C ATOM 487 O GLU A 36 93.711 9.175 -9.428 1.00 0.00 O ATOM 488 CB GLU A 36 93.374 8.112 -12.623 1.00 0.00 C ATOM 489 CG GLU A 36 94.382 8.072 -13.770 1.00 0.00 C ATOM 490 CD GLU A 36 93.767 8.698 -15.023 1.00 0.00 C ATOM 491 OE1 GLU A 36 93.800 9.914 -15.131 1.00 0.00 O ATOM 492 OE2 GLU A 36 93.274 7.954 -15.853 1.00 0.00 O1- ATOM 0 H GLU A 36 93.342 5.819 -10.786 1.00 0.00 H new ATOM 0 HA GLU A 36 95.066 8.186 -11.253 1.00 0.00 H new ATOM 0 HB2 GLU A 36 92.560 7.414 -12.817 1.00 0.00 H new ATOM 0 HB3 GLU A 36 92.931 9.105 -12.550 1.00 0.00 H new ATOM 0 HG2 GLU A 36 95.287 8.611 -13.490 1.00 0.00 H new ATOM 0 HG3 GLU A 36 94.675 7.042 -13.973 1.00 0.00 H new ATOM 499 N VAL A 37 92.087 7.756 -9.904 1.00 0.00 N ATOM 500 CA VAL A 37 91.264 8.243 -8.753 1.00 0.00 C ATOM 501 C VAL A 37 92.053 8.008 -7.440 1.00 0.00 C ATOM 502 O VAL A 37 92.395 8.957 -6.762 1.00 0.00 O ATOM 503 CB VAL A 37 89.940 7.448 -8.843 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.243 7.356 -7.477 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.011 8.153 -9.834 1.00 0.00 C ATOM 0 H VAL A 37 91.664 7.013 -10.460 1.00 0.00 H new ATOM 0 HA VAL A 37 91.045 9.311 -8.774 1.00 0.00 H new ATOM 0 HB VAL A 37 90.167 6.435 -9.175 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.317 6.791 -7.579 1.00 0.00 H new ATOM 0 HG12 VAL A 37 89.899 6.853 -6.767 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.018 8.359 -7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.073 7.603 -9.908 1.00 0.00 H new ATOM 0 HG22 VAL A 37 88.811 9.167 -9.487 1.00 0.00 H new ATOM 0 HG23 VAL A 37 89.487 8.192 -10.814 1.00 0.00 H new ATOM 515 N PRO A 38 92.364 6.763 -7.145 1.00 0.00 N ATOM 516 CA PRO A 38 93.170 6.459 -5.935 1.00 0.00 C ATOM 517 C PRO A 38 94.628 6.842 -6.199 1.00 0.00 C ATOM 518 O PRO A 38 95.381 7.158 -5.298 1.00 0.00 O ATOM 519 CB PRO A 38 93.054 4.944 -5.794 1.00 0.00 C ATOM 520 CG PRO A 38 92.768 4.449 -7.172 1.00 0.00 C ATOM 521 CD PRO A 38 92.010 5.537 -7.882 1.00 0.00 C ATOM 0 HA PRO A 38 92.838 6.994 -5.045 1.00 0.00 H new ATOM 0 HB2 PRO A 38 93.975 4.512 -5.403 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.256 4.672 -5.103 1.00 0.00 H new ATOM 0 HG2 PRO A 38 93.694 4.218 -7.698 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.182 3.530 -7.138 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.299 5.605 -8.931 1.00 0.00 H new ATOM 0 HD3 PRO A 38 90.936 5.354 -7.859 1.00 0.00 H new ATOM 529 N GLY A 39 95.025 6.782 -7.442 1.00 0.00 N ATOM 530 CA GLY A 39 96.423 7.098 -7.827 1.00 0.00 C ATOM 531 C GLY A 39 96.938 5.919 -8.644 1.00 0.00 C ATOM 532 O GLY A 39 97.243 6.048 -9.812 1.00 0.00 O ATOM 0 H GLY A 39 94.421 6.521 -8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 39 96.464 8.018 -8.410 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.041 7.253 -6.943 1.00 0.00 H new ATOM 536 N PHE A 40 96.974 4.756 -8.021 1.00 0.00 N ATOM 537 CA PHE A 40 97.405 3.470 -8.686 1.00 0.00 C ATOM 538 C PHE A 40 97.685 2.377 -7.608 1.00 0.00 C ATOM 539 O PHE A 40 96.897 1.459 -7.487 1.00 0.00 O ATOM 540 CB PHE A 40 98.630 3.778 -9.595 1.00 0.00 C ATOM 541 CG PHE A 40 99.400 2.516 -9.959 1.00 0.00 C ATOM 542 CD1 PHE A 40 98.716 1.316 -10.215 1.00 0.00 C ATOM 543 CD2 PHE A 40 100.798 2.551 -10.048 1.00 0.00 C ATOM 544 CE1 PHE A 40 99.430 0.161 -10.555 1.00 0.00 C ATOM 545 CE2 PHE A 40 101.509 1.395 -10.389 1.00 0.00 C ATOM 546 CZ PHE A 40 100.825 0.200 -10.642 1.00 0.00 C ATOM 0 H PHE A 40 96.712 4.641 -7.042 1.00 0.00 H new ATOM 0 HA PHE A 40 96.616 3.066 -9.320 1.00 0.00 H new ATOM 0 HB2 PHE A 40 98.291 4.272 -10.506 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.295 4.474 -9.084 1.00 0.00 H new ATOM 0 HD1 PHE A 40 97.638 1.285 -10.149 1.00 0.00 H new ATOM 0 HD2 PHE A 40 101.328 3.472 -9.853 1.00 0.00 H new ATOM 0 HE1 PHE A 40 98.903 -0.761 -10.750 1.00 0.00 H new ATOM 0 HE2 PHE A 40 102.586 1.425 -10.457 1.00 0.00 H new ATOM 0 HZ PHE A 40 101.375 -0.692 -10.904 1.00 0.00 H new ATOM 556 N PRO A 41 98.779 2.477 -6.857 1.00 0.00 N ATOM 557 CA PRO A 41 99.072 1.440 -5.823 1.00 0.00 C ATOM 558 C PRO A 41 98.316 1.701 -4.508 1.00 0.00 C ATOM 559 O PRO A 41 98.340 0.880 -3.610 1.00 0.00 O ATOM 560 CB PRO A 41 100.562 1.608 -5.563 1.00 0.00 C ATOM 561 CG PRO A 41 100.857 3.037 -5.888 1.00 0.00 C ATOM 562 CD PRO A 41 99.831 3.508 -6.888 1.00 0.00 C ATOM 0 HA PRO A 41 98.775 0.448 -6.162 1.00 0.00 H new ATOM 0 HB2 PRO A 41 100.809 1.381 -4.526 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.149 0.933 -6.186 1.00 0.00 H new ATOM 0 HG2 PRO A 41 100.819 3.649 -4.987 1.00 0.00 H new ATOM 0 HG3 PRO A 41 101.862 3.135 -6.298 1.00 0.00 H new ATOM 0 HD2 PRO A 41 99.435 4.487 -6.618 1.00 0.00 H new ATOM 0 HD3 PRO A 41 100.263 3.603 -7.884 1.00 0.00 H new ATOM 570 N ASN A 42 97.672 2.834 -4.373 1.00 0.00 N ATOM 571 CA ASN A 42 96.950 3.142 -3.103 1.00 0.00 C ATOM 572 C ASN A 42 95.469 2.823 -3.241 1.00 0.00 C ATOM 573 O ASN A 42 94.623 3.484 -2.666 1.00 0.00 O ATOM 574 CB ASN A 42 97.161 4.638 -2.874 1.00 0.00 C ATOM 575 CG ASN A 42 98.500 4.862 -2.166 1.00 0.00 C ATOM 576 OD1 ASN A 42 99.039 3.960 -1.554 1.00 0.00 O ATOM 577 ND2 ASN A 42 99.065 6.035 -2.219 1.00 0.00 N ATOM 0 H ASN A 42 97.616 3.558 -5.089 1.00 0.00 H new ATOM 0 HA ASN A 42 97.321 2.548 -2.268 1.00 0.00 H new ATOM 0 HB2 ASN A 42 97.148 5.168 -3.826 1.00 0.00 H new ATOM 0 HB3 ASN A 42 96.347 5.043 -2.273 1.00 0.00 H new ATOM 0 HD21 ASN A 42 99.956 6.194 -1.748 1.00 0.00 H new ATOM 0 HD22 ASN A 42 98.616 6.794 -2.731 1.00 0.00 H new ATOM 584 N VAL A 43 95.156 1.803 -3.988 1.00 0.00 N ATOM 585 CA VAL A 43 93.734 1.416 -4.161 1.00 0.00 C ATOM 586 C VAL A 43 93.473 0.097 -3.437 1.00 0.00 C ATOM 587 O VAL A 43 94.272 -0.826 -3.478 1.00 0.00 O ATOM 588 CB VAL A 43 93.504 1.294 -5.675 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.288 0.109 -6.258 1.00 0.00 C ATOM 590 CG2 VAL A 43 92.008 1.097 -5.930 1.00 0.00 C ATOM 0 H VAL A 43 95.828 1.220 -4.487 1.00 0.00 H new ATOM 0 HA VAL A 43 93.048 2.149 -3.737 1.00 0.00 H new ATOM 0 HB VAL A 43 93.856 2.204 -6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.107 0.046 -7.331 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.353 0.253 -6.077 1.00 0.00 H new ATOM 0 HG13 VAL A 43 93.961 -0.814 -5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 43 91.830 1.009 -7.002 1.00 0.00 H new ATOM 0 HG22 VAL A 43 91.670 0.189 -5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 43 91.457 1.953 -5.540 1.00 0.00 H new ATOM 600 N GLY A 44 92.366 0.022 -2.756 1.00 0.00 N ATOM 601 CA GLY A 44 92.031 -1.212 -1.999 1.00 0.00 C ATOM 602 C GLY A 44 90.579 -1.157 -1.528 1.00 0.00 C ATOM 603 O GLY A 44 89.912 -0.149 -1.648 1.00 0.00 O ATOM 0 H GLY A 44 91.674 0.769 -2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.185 -2.088 -2.629 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.696 -1.315 -1.142 1.00 0.00 H new ATOM 607 N GLY A 45 90.098 -2.237 -0.971 1.00 0.00 N ATOM 608 CA GLY A 45 88.701 -2.269 -0.468 1.00 0.00 C ATOM 609 C GLY A 45 88.667 -1.736 0.963 1.00 0.00 C ATOM 610 O GLY A 45 89.650 -1.779 1.679 1.00 0.00 O ATOM 0 H GLY A 45 90.621 -3.104 -0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 45 88.058 -1.665 -1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.315 -3.288 -0.498 1.00 0.00 H new ATOM 614 N ILE A 46 87.534 -1.253 1.386 1.00 0.00 N ATOM 615 CA ILE A 46 87.392 -0.727 2.773 1.00 0.00 C ATOM 616 C ILE A 46 86.021 -1.168 3.309 1.00 0.00 C ATOM 617 O ILE A 46 85.092 -1.331 2.544 1.00 0.00 O ATOM 618 CB ILE A 46 87.475 0.802 2.625 1.00 0.00 C ATOM 619 CG1 ILE A 46 88.883 1.200 2.216 1.00 0.00 C ATOM 620 CG2 ILE A 46 87.129 1.523 3.940 1.00 0.00 C ATOM 621 CD1 ILE A 46 88.929 2.703 1.929 1.00 0.00 C ATOM 0 H ILE A 46 86.686 -1.199 0.821 1.00 0.00 H new ATOM 0 HA ILE A 46 88.151 -1.089 3.466 1.00 0.00 H new ATOM 0 HB ILE A 46 86.752 1.096 1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 46 89.587 0.949 3.009 1.00 0.00 H new ATOM 0 HG13 ILE A 46 89.187 0.641 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 46 87.199 2.601 3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 46 86.114 1.263 4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 46 87.828 1.216 4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 46 89.940 2.987 1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 46 88.237 2.941 1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 46 88.643 3.253 2.825 1.00 0.00 H new ATOM 633 N PRO A 47 85.928 -1.347 4.603 1.00 0.00 N ATOM 634 CA PRO A 47 84.640 -1.772 5.226 1.00 0.00 C ATOM 635 C PRO A 47 83.477 -0.790 4.973 1.00 0.00 C ATOM 636 O PRO A 47 82.342 -1.100 5.283 1.00 0.00 O ATOM 637 CB PRO A 47 84.985 -1.823 6.720 1.00 0.00 C ATOM 638 CG PRO A 47 86.158 -0.916 6.850 1.00 0.00 C ATOM 639 CD PRO A 47 86.975 -1.187 5.628 1.00 0.00 C ATOM 0 HA PRO A 47 84.285 -2.715 4.809 1.00 0.00 H new ATOM 0 HB2 PRO A 47 84.150 -1.486 7.334 1.00 0.00 H new ATOM 0 HB3 PRO A 47 85.227 -2.837 7.039 1.00 0.00 H new ATOM 0 HG2 PRO A 47 85.849 0.128 6.898 1.00 0.00 H new ATOM 0 HG3 PRO A 47 86.722 -1.124 7.759 1.00 0.00 H new ATOM 0 HD2 PRO A 47 87.653 -0.365 5.397 1.00 0.00 H new ATOM 0 HD3 PRO A 47 87.586 -2.084 5.734 1.00 0.00 H new ATOM 647 N ASP A 48 83.730 0.385 4.441 1.00 0.00 N ATOM 648 CA ASP A 48 82.616 1.356 4.210 1.00 0.00 C ATOM 649 C ASP A 48 82.051 1.268 2.783 1.00 0.00 C ATOM 650 O ASP A 48 80.990 1.804 2.519 1.00 0.00 O ATOM 651 CB ASP A 48 83.222 2.735 4.472 1.00 0.00 C ATOM 652 CG ASP A 48 83.510 2.899 5.968 1.00 0.00 C ATOM 653 OD1 ASP A 48 82.803 2.299 6.761 1.00 0.00 O1- ATOM 654 OD2 ASP A 48 84.432 3.628 6.294 1.00 0.00 O ATOM 0 H ASP A 48 84.655 0.710 4.159 1.00 0.00 H new ATOM 0 HA ASP A 48 81.773 1.143 4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 48 84.142 2.853 3.900 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.537 3.513 4.137 1.00 0.00 H new ATOM 659 N ILE A 49 82.710 0.590 1.867 1.00 0.00 N ATOM 660 CA ILE A 49 82.126 0.492 0.485 1.00 0.00 C ATOM 661 C ILE A 49 80.957 -0.505 0.522 1.00 0.00 C ATOM 662 O ILE A 49 81.131 -1.656 0.878 1.00 0.00 O ATOM 663 CB ILE A 49 83.253 -0.011 -0.426 1.00 0.00 C ATOM 664 CG1 ILE A 49 84.456 0.930 -0.350 1.00 0.00 C ATOM 665 CG2 ILE A 49 82.764 -0.092 -1.875 1.00 0.00 C ATOM 666 CD1 ILE A 49 84.051 2.357 -0.750 1.00 0.00 C ATOM 0 H ILE A 49 83.601 0.113 2.009 1.00 0.00 H new ATOM 0 HA ILE A 49 81.747 1.446 0.119 1.00 0.00 H new ATOM 0 HB ILE A 49 83.551 -1.004 -0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 49 84.861 0.931 0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 49 85.247 0.572 -1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 49 83.572 -0.450 -2.512 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.921 -0.780 -1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 49 82.450 0.897 -2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 49 84.920 3.012 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 49 83.669 2.354 -1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 49 83.277 2.719 -0.074 1.00 0.00 H new ATOM 678 N ALA A 50 79.764 -0.067 0.191 1.00 0.00 N ATOM 679 CA ALA A 50 78.577 -0.984 0.243 1.00 0.00 C ATOM 680 C ALA A 50 78.505 -1.917 -0.964 1.00 0.00 C ATOM 681 O ALA A 50 78.250 -3.098 -0.811 1.00 0.00 O ATOM 682 CB ALA A 50 77.359 -0.059 0.270 1.00 0.00 C ATOM 0 H ALA A 50 79.560 0.885 -0.113 1.00 0.00 H new ATOM 0 HA ALA A 50 78.634 -1.637 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 50 76.449 -0.657 0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 50 77.409 0.583 1.150 1.00 0.00 H new ATOM 0 HB3 ALA A 50 77.350 0.558 -0.629 1.00 0.00 H new ATOM 688 N GLY A 51 78.706 -1.415 -2.154 1.00 0.00 N ATOM 689 CA GLY A 51 78.620 -2.312 -3.339 1.00 0.00 C ATOM 690 C GLY A 51 78.636 -1.504 -4.638 1.00 0.00 C ATOM 691 O GLY A 51 79.380 -0.555 -4.791 1.00 0.00 O ATOM 0 H GLY A 51 78.923 -0.438 -2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 51 79.455 -3.012 -3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 51 77.707 -2.905 -3.286 1.00 0.00 H new ATOM 695 N TRP A 52 77.814 -1.899 -5.578 1.00 0.00 N ATOM 696 CA TRP A 52 77.728 -1.215 -6.913 1.00 0.00 C ATOM 697 C TRP A 52 77.751 0.314 -6.799 1.00 0.00 C ATOM 698 O TRP A 52 78.204 0.996 -7.704 1.00 0.00 O ATOM 699 CB TRP A 52 76.382 -1.661 -7.491 1.00 0.00 C ATOM 700 CG TRP A 52 76.296 -1.234 -8.921 1.00 0.00 C ATOM 701 CD1 TRP A 52 76.967 -1.812 -9.944 1.00 0.00 C ATOM 702 CD2 TRP A 52 75.513 -0.152 -9.504 1.00 0.00 C ATOM 703 NE1 TRP A 52 76.645 -1.154 -11.118 1.00 0.00 N ATOM 704 CE2 TRP A 52 75.753 -0.123 -10.898 1.00 0.00 C ATOM 705 CE3 TRP A 52 74.628 0.798 -8.964 1.00 0.00 C ATOM 706 CZ2 TRP A 52 75.136 0.813 -11.727 1.00 0.00 C ATOM 707 CZ3 TRP A 52 74.005 1.743 -9.797 1.00 0.00 C ATOM 708 CH2 TRP A 52 74.259 1.750 -11.175 1.00 0.00 C ATOM 0 H TRP A 52 77.179 -2.690 -5.475 1.00 0.00 H new ATOM 0 HA TRP A 52 78.584 -1.481 -7.534 1.00 0.00 H new ATOM 0 HB2 TRP A 52 76.281 -2.744 -7.416 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.564 -1.224 -6.919 1.00 0.00 H new ATOM 0 HD1 TRP A 52 77.643 -2.650 -9.858 1.00 0.00 H new ATOM 0 HE1 TRP A 52 77.021 -1.400 -12.034 1.00 0.00 H new ATOM 0 HE3 TRP A 52 74.426 0.801 -7.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 75.335 0.814 -12.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 73.326 2.468 -9.373 1.00 0.00 H new ATOM 0 HH2 TRP A 52 73.777 2.479 -11.810 1.00 0.00 H new ATOM 719 N ASP A 53 77.274 0.860 -5.707 1.00 0.00 N ATOM 720 CA ASP A 53 77.269 2.341 -5.546 1.00 0.00 C ATOM 721 C ASP A 53 77.580 2.714 -4.093 1.00 0.00 C ATOM 722 O ASP A 53 76.750 3.252 -3.384 1.00 0.00 O ATOM 723 CB ASP A 53 75.851 2.770 -5.927 1.00 0.00 C ATOM 724 CG ASP A 53 75.775 4.295 -5.994 1.00 0.00 C ATOM 725 OD1 ASP A 53 76.702 4.892 -6.516 1.00 0.00 O ATOM 726 OD2 ASP A 53 74.791 4.841 -5.523 1.00 0.00 O1- ATOM 0 H ASP A 53 76.887 0.339 -4.920 1.00 0.00 H new ATOM 0 HA ASP A 53 78.021 2.832 -6.163 1.00 0.00 H new ATOM 0 HB2 ASP A 53 75.577 2.340 -6.890 1.00 0.00 H new ATOM 0 HB3 ASP A 53 75.137 2.392 -5.195 1.00 0.00 H new ATOM 731 N SER A 54 78.771 2.415 -3.648 1.00 0.00 N ATOM 732 CA SER A 54 79.161 2.724 -2.236 1.00 0.00 C ATOM 733 C SER A 54 79.221 4.245 -2.003 1.00 0.00 C ATOM 734 O SER A 54 79.778 4.960 -2.811 1.00 0.00 O ATOM 735 CB SER A 54 80.549 2.112 -2.062 1.00 0.00 C ATOM 736 OG SER A 54 81.310 2.319 -3.244 1.00 0.00 O ATOM 0 H SER A 54 79.498 1.966 -4.205 1.00 0.00 H new ATOM 0 HA SER A 54 78.439 2.324 -1.524 1.00 0.00 H new ATOM 0 HB2 SER A 54 81.053 2.565 -1.208 1.00 0.00 H new ATOM 0 HB3 SER A 54 80.464 1.046 -1.853 1.00 0.00 H new ATOM 0 HG SER A 54 81.426 1.466 -3.712 1.00 0.00 H new ATOM 742 N PRO A 55 78.651 4.698 -0.901 1.00 0.00 N ATOM 743 CA PRO A 55 78.662 6.152 -0.596 1.00 0.00 C ATOM 744 C PRO A 55 80.047 6.604 -0.118 1.00 0.00 C ATOM 745 O PRO A 55 80.392 7.768 -0.204 1.00 0.00 O ATOM 746 CB PRO A 55 77.639 6.294 0.526 1.00 0.00 C ATOM 747 CG PRO A 55 77.592 4.955 1.187 1.00 0.00 C ATOM 748 CD PRO A 55 77.958 3.928 0.147 1.00 0.00 C ATOM 0 HA PRO A 55 78.429 6.763 -1.468 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.934 7.071 1.231 1.00 0.00 H new ATOM 0 HB3 PRO A 55 76.661 6.574 0.134 1.00 0.00 H new ATOM 0 HG2 PRO A 55 78.287 4.916 2.026 1.00 0.00 H new ATOM 0 HG3 PRO A 55 76.597 4.759 1.587 1.00 0.00 H new ATOM 0 HD2 PRO A 55 78.603 3.154 0.563 1.00 0.00 H new ATOM 0 HD3 PRO A 55 77.073 3.428 -0.247 1.00 0.00 H new ATOM 756 N SER A 56 80.835 5.694 0.402 1.00 0.00 N ATOM 757 CA SER A 56 82.191 6.066 0.906 1.00 0.00 C ATOM 758 C SER A 56 83.260 5.883 -0.178 1.00 0.00 C ATOM 759 O SER A 56 84.441 5.868 0.114 1.00 0.00 O ATOM 760 CB SER A 56 82.449 5.117 2.076 1.00 0.00 C ATOM 761 OG SER A 56 82.087 5.762 3.291 1.00 0.00 O ATOM 0 H SER A 56 80.595 4.707 0.499 1.00 0.00 H new ATOM 0 HA SER A 56 82.235 7.114 1.201 1.00 0.00 H new ATOM 0 HB2 SER A 56 81.872 4.201 1.951 1.00 0.00 H new ATOM 0 HB3 SER A 56 83.500 4.830 2.102 1.00 0.00 H new ATOM 0 HG SER A 56 82.820 5.678 3.937 1.00 0.00 H new ATOM 767 N CYS A 57 82.864 5.744 -1.420 1.00 0.00 N ATOM 768 CA CYS A 57 83.873 5.567 -2.508 1.00 0.00 C ATOM 769 C CYS A 57 84.500 6.918 -2.868 1.00 0.00 C ATOM 770 O CYS A 57 83.881 7.956 -2.735 1.00 0.00 O ATOM 771 CB CYS A 57 83.096 5.002 -3.695 1.00 0.00 C ATOM 772 SG CYS A 57 84.243 4.216 -4.856 1.00 0.00 S ATOM 0 H CYS A 57 81.891 5.746 -1.725 1.00 0.00 H new ATOM 0 HA CYS A 57 84.686 4.906 -2.210 1.00 0.00 H new ATOM 0 HB2 CYS A 57 82.360 4.277 -3.348 1.00 0.00 H new ATOM 0 HB3 CYS A 57 82.546 5.799 -4.195 1.00 0.00 H new ATOM 777 N GLY A 58 85.720 6.901 -3.334 1.00 0.00 N ATOM 778 CA GLY A 58 86.401 8.172 -3.722 1.00 0.00 C ATOM 779 C GLY A 58 86.744 8.984 -2.471 1.00 0.00 C ATOM 780 O GLY A 58 86.799 10.198 -2.505 1.00 0.00 O ATOM 0 H GLY A 58 86.278 6.057 -3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 58 87.309 7.951 -4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 58 85.755 8.755 -4.378 1.00 0.00 H new ATOM 784 N THR A 59 86.985 8.318 -1.372 1.00 0.00 N ATOM 785 CA THR A 59 87.336 9.037 -0.113 1.00 0.00 C ATOM 786 C THR A 59 88.748 8.652 0.332 1.00 0.00 C ATOM 787 O THR A 59 89.128 7.498 0.334 1.00 0.00 O ATOM 788 CB THR A 59 86.303 8.595 0.919 1.00 0.00 C ATOM 789 OG1 THR A 59 84.999 8.750 0.378 1.00 0.00 O ATOM 790 CG2 THR A 59 86.439 9.459 2.175 1.00 0.00 C ATOM 0 H THR A 59 86.953 7.302 -1.293 1.00 0.00 H new ATOM 0 HA THR A 59 87.325 10.119 -0.243 1.00 0.00 H new ATOM 0 HB THR A 59 86.468 7.549 1.176 1.00 0.00 H new ATOM 0 HG1 THR A 59 84.666 7.881 0.072 1.00 0.00 H new ATOM 0 HG21 THR A 59 85.702 9.145 2.914 1.00 0.00 H new ATOM 0 HG22 THR A 59 87.440 9.343 2.590 1.00 0.00 H new ATOM 0 HG23 THR A 59 86.272 10.505 1.917 1.00 0.00 H new ATOM 798 N CYS A 60 89.526 9.638 0.670 1.00 0.00 N ATOM 799 CA CYS A 60 90.946 9.404 1.082 1.00 0.00 C ATOM 800 C CYS A 60 91.070 8.963 2.541 1.00 0.00 C ATOM 801 O CYS A 60 90.336 9.412 3.402 1.00 0.00 O ATOM 802 CB CYS A 60 91.610 10.773 0.918 1.00 0.00 C ATOM 803 SG CYS A 60 92.451 10.843 -0.676 1.00 0.00 S ATOM 0 H CYS A 60 89.238 10.616 0.680 1.00 0.00 H new ATOM 0 HA CYS A 60 91.397 8.610 0.487 1.00 0.00 H new ATOM 0 HB2 CYS A 60 90.861 11.563 0.982 1.00 0.00 H new ATOM 0 HB3 CYS A 60 92.322 10.943 1.725 1.00 0.00 H new ATOM 808 N TRP A 61 92.024 8.112 2.827 1.00 0.00 N ATOM 809 CA TRP A 61 92.241 7.662 4.232 1.00 0.00 C ATOM 810 C TRP A 61 93.711 7.347 4.469 1.00 0.00 C ATOM 811 O TRP A 61 94.417 6.929 3.572 1.00 0.00 O ATOM 812 CB TRP A 61 91.409 6.402 4.399 1.00 0.00 C ATOM 813 CG TRP A 61 89.975 6.776 4.407 1.00 0.00 C ATOM 814 CD1 TRP A 61 89.186 6.793 3.319 1.00 0.00 C ATOM 815 CD2 TRP A 61 89.144 7.192 5.530 1.00 0.00 C ATOM 816 NE1 TRP A 61 87.920 7.183 3.698 1.00 0.00 N ATOM 817 CE2 TRP A 61 87.841 7.445 5.048 1.00 0.00 C ATOM 818 CE3 TRP A 61 89.388 7.371 6.902 1.00 0.00 C ATOM 819 CZ2 TRP A 61 86.814 7.858 5.892 1.00 0.00 C ATOM 820 CZ3 TRP A 61 88.356 7.788 7.760 1.00 0.00 C ATOM 821 CH2 TRP A 61 87.069 8.030 7.255 1.00 0.00 C ATOM 0 H TRP A 61 92.664 7.709 2.142 1.00 0.00 H new ATOM 0 HA TRP A 61 91.954 8.435 4.944 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.613 5.704 3.587 1.00 0.00 H new ATOM 0 HB3 TRP A 61 91.672 5.896 5.328 1.00 0.00 H new ATOM 0 HD1 TRP A 61 89.493 6.543 2.314 1.00 0.00 H new ATOM 0 HE1 TRP A 61 87.133 7.268 3.054 1.00 0.00 H new ATOM 0 HE3 TRP A 61 90.375 7.187 7.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 85.827 8.044 5.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 88.554 7.923 8.813 1.00 0.00 H new ATOM 0 HH2 TRP A 61 86.278 8.348 7.918 1.00 0.00 H new ATOM 832 N LYS A 62 94.168 7.526 5.675 1.00 0.00 N ATOM 833 CA LYS A 62 95.586 7.218 5.993 1.00 0.00 C ATOM 834 C LYS A 62 95.622 5.958 6.856 1.00 0.00 C ATOM 835 O LYS A 62 94.880 5.842 7.811 1.00 0.00 O ATOM 836 CB LYS A 62 96.087 8.433 6.773 1.00 0.00 C ATOM 837 CG LYS A 62 97.596 8.320 6.987 1.00 0.00 C ATOM 838 CD LYS A 62 98.094 9.554 7.741 1.00 0.00 C ATOM 839 CE LYS A 62 97.801 9.393 9.234 1.00 0.00 C ATOM 840 NZ LYS A 62 97.924 10.764 9.801 1.00 0.00 N1+ ATOM 0 H LYS A 62 93.616 7.875 6.458 1.00 0.00 H new ATOM 0 HA LYS A 62 96.203 7.037 5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 62 95.855 9.348 6.228 1.00 0.00 H new ATOM 0 HB3 LYS A 62 95.577 8.496 7.734 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.828 7.417 7.551 1.00 0.00 H new ATOM 0 HG3 LYS A 62 98.106 8.236 6.027 1.00 0.00 H new ATOM 0 HD2 LYS A 62 99.165 9.683 7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 62 97.604 10.449 7.358 1.00 0.00 H new ATOM 0 HE2 LYS A 62 96.803 8.986 9.399 1.00 0.00 H new ATOM 0 HE3 LYS A 62 98.507 8.707 9.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 97.737 10.735 10.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 98.886 11.123 9.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 97.236 11.393 9.341 1.00 0.00 H new ATOM 854 N VAL A 63 96.461 5.013 6.525 1.00 0.00 N ATOM 855 CA VAL A 63 96.519 3.755 7.329 1.00 0.00 C ATOM 856 C VAL A 63 97.819 3.718 8.129 1.00 0.00 C ATOM 857 O VAL A 63 98.890 3.911 7.592 1.00 0.00 O ATOM 858 CB VAL A 63 96.466 2.616 6.306 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.519 1.266 7.027 1.00 0.00 C ATOM 860 CG2 VAL A 63 95.163 2.707 5.506 1.00 0.00 C ATOM 0 H VAL A 63 97.107 5.056 5.736 1.00 0.00 H new ATOM 0 HA VAL A 63 95.701 3.677 8.046 1.00 0.00 H new ATOM 0 HB VAL A 63 97.319 2.702 5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.481 0.460 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.445 1.194 7.597 1.00 0.00 H new ATOM 0 HG13 VAL A 63 95.669 1.181 7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 63 95.126 1.896 4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.313 2.625 6.184 1.00 0.00 H new ATOM 0 HG23 VAL A 63 95.122 3.664 4.986 1.00 0.00 H new ATOM 870 N THR A 64 97.718 3.508 9.417 1.00 0.00 N ATOM 871 CA THR A 64 98.927 3.495 10.293 1.00 0.00 C ATOM 872 C THR A 64 99.080 2.139 10.997 1.00 0.00 C ATOM 873 O THR A 64 98.118 1.574 11.485 1.00 0.00 O ATOM 874 CB THR A 64 98.645 4.591 11.325 1.00 0.00 C ATOM 875 OG1 THR A 64 98.433 5.825 10.654 1.00 0.00 O ATOM 876 CG2 THR A 64 99.834 4.728 12.278 1.00 0.00 C ATOM 0 H THR A 64 96.837 3.343 9.904 1.00 0.00 H new ATOM 0 HA THR A 64 99.847 3.658 9.732 1.00 0.00 H new ATOM 0 HB THR A 64 97.756 4.325 11.898 1.00 0.00 H new ATOM 0 HG1 THR A 64 98.251 6.528 11.312 1.00 0.00 H new ATOM 0 HG21 THR A 64 99.626 5.509 13.009 1.00 0.00 H new ATOM 0 HG22 THR A 64 99.997 3.782 12.794 1.00 0.00 H new ATOM 0 HG23 THR A 64 100.727 4.990 11.710 1.00 0.00 H new ATOM 884 N ILE A 65 100.282 1.615 11.047 1.00 0.00 N ATOM 885 CA ILE A 65 100.501 0.290 11.714 1.00 0.00 C ATOM 886 C ILE A 65 101.415 0.449 12.951 1.00 0.00 C ATOM 887 O ILE A 65 102.046 1.475 13.118 1.00 0.00 O ATOM 888 CB ILE A 65 101.153 -0.592 10.639 1.00 0.00 C ATOM 889 CG1 ILE A 65 102.442 0.064 10.136 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.182 -0.764 9.468 1.00 0.00 C ATOM 891 CD1 ILE A 65 103.243 -0.948 9.317 1.00 0.00 C ATOM 0 H ILE A 65 101.120 2.046 10.656 1.00 0.00 H new ATOM 0 HA ILE A 65 99.574 -0.149 12.082 1.00 0.00 H new ATOM 0 HB ILE A 65 101.390 -1.565 11.069 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.205 0.936 9.526 1.00 0.00 H new ATOM 0 HG13 ILE A 65 103.036 0.417 10.979 1.00 0.00 H new ATOM 0 HG21 ILE A 65 100.642 -1.390 8.703 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.266 -1.237 9.821 1.00 0.00 H new ATOM 0 HG23 ILE A 65 99.946 0.212 9.045 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.161 -0.481 8.959 1.00 0.00 H new ATOM 0 HD12 ILE A 65 103.492 -1.806 9.942 1.00 0.00 H new ATOM 0 HD13 ILE A 65 102.648 -1.279 8.466 1.00 0.00 H new ATOM 903 N PRO A 66 101.437 -0.568 13.800 1.00 0.00 N ATOM 904 CA PRO A 66 102.259 -0.518 15.050 1.00 0.00 C ATOM 905 C PRO A 66 103.761 -0.402 14.765 1.00 0.00 C ATOM 906 O PRO A 66 104.510 0.098 15.584 1.00 0.00 O ATOM 907 CB PRO A 66 101.943 -1.851 15.735 1.00 0.00 C ATOM 908 CG PRO A 66 101.487 -2.741 14.633 1.00 0.00 C ATOM 909 CD PRO A 66 100.723 -1.855 13.692 1.00 0.00 C ATOM 0 HA PRO A 66 102.022 0.357 15.656 1.00 0.00 H new ATOM 0 HB2 PRO A 66 102.822 -2.258 16.235 1.00 0.00 H new ATOM 0 HB3 PRO A 66 101.170 -1.733 16.495 1.00 0.00 H new ATOM 0 HG2 PRO A 66 102.334 -3.209 14.131 1.00 0.00 H new ATOM 0 HG3 PRO A 66 100.857 -3.545 15.013 1.00 0.00 H new ATOM 0 HD2 PRO A 66 100.737 -2.241 12.673 1.00 0.00 H new ATOM 0 HD3 PRO A 66 99.677 -1.763 13.984 1.00 0.00 H new ATOM 917 N ASN A 67 104.209 -0.848 13.619 1.00 0.00 N ATOM 918 CA ASN A 67 105.669 -0.750 13.295 1.00 0.00 C ATOM 919 C ASN A 67 106.079 0.720 13.191 1.00 0.00 C ATOM 920 O ASN A 67 107.132 1.124 13.648 1.00 0.00 O ATOM 921 CB ASN A 67 105.832 -1.452 11.944 1.00 0.00 C ATOM 922 CG ASN A 67 105.623 -2.960 12.116 1.00 0.00 C ATOM 923 OD1 ASN A 67 105.732 -3.481 13.209 1.00 0.00 O ATOM 924 ND2 ASN A 67 105.327 -3.689 11.074 1.00 0.00 N ATOM 0 H ASN A 67 103.631 -1.275 12.895 1.00 0.00 H new ATOM 0 HA ASN A 67 106.295 -1.206 14.062 1.00 0.00 H new ATOM 0 HB2 ASN A 67 105.112 -1.055 11.228 1.00 0.00 H new ATOM 0 HB3 ASN A 67 106.825 -1.257 11.539 1.00 0.00 H new ATOM 0 HD21 ASN A 67 105.188 -4.694 11.178 1.00 0.00 H new ATOM 0 HD22 ASN A 67 105.235 -3.253 10.156 1.00 0.00 H new ATOM 931 N GLY A 68 105.230 1.514 12.602 1.00 0.00 N ATOM 932 CA GLY A 68 105.528 2.969 12.464 1.00 0.00 C ATOM 933 C GLY A 68 105.640 3.341 10.989 1.00 0.00 C ATOM 934 O GLY A 68 106.668 3.804 10.531 1.00 0.00 O ATOM 0 H GLY A 68 104.337 1.217 12.208 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.741 3.556 12.937 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.458 3.209 12.980 1.00 0.00 H new ATOM 938 N ASN A 69 104.583 3.154 10.250 1.00 0.00 N ATOM 939 CA ASN A 69 104.596 3.506 8.803 1.00 0.00 C ATOM 940 C ASN A 69 103.157 3.661 8.321 1.00 0.00 C ATOM 941 O ASN A 69 102.255 3.039 8.858 1.00 0.00 O ATOM 942 CB ASN A 69 105.284 2.328 8.106 1.00 0.00 C ATOM 943 CG ASN A 69 105.602 2.693 6.651 1.00 0.00 C ATOM 944 OD1 ASN A 69 105.435 3.825 6.238 1.00 0.00 O ATOM 945 ND2 ASN A 69 106.062 1.770 5.850 1.00 0.00 N ATOM 0 H ASN A 69 103.702 2.769 10.590 1.00 0.00 H new ATOM 0 HA ASN A 69 105.116 4.441 8.595 1.00 0.00 H new ATOM 0 HB2 ASN A 69 106.202 2.068 8.633 1.00 0.00 H new ATOM 0 HB3 ASN A 69 104.639 1.450 8.137 1.00 0.00 H new ATOM 0 HD21 ASN A 69 106.280 1.999 4.880 1.00 0.00 H new ATOM 0 HD22 ASN A 69 106.203 0.820 6.194 1.00 0.00 H new ATOM 952 N SER A 70 102.921 4.489 7.336 1.00 0.00 N ATOM 953 CA SER A 70 101.523 4.670 6.857 1.00 0.00 C ATOM 954 C SER A 70 101.463 5.057 5.379 1.00 0.00 C ATOM 955 O SER A 70 102.397 5.590 4.814 1.00 0.00 O ATOM 956 CB SER A 70 100.950 5.786 7.728 1.00 0.00 C ATOM 957 OG SER A 70 101.764 6.944 7.600 1.00 0.00 O ATOM 0 H SER A 70 103.628 5.040 6.849 1.00 0.00 H new ATOM 0 HA SER A 70 100.958 3.741 6.937 1.00 0.00 H new ATOM 0 HB2 SER A 70 99.927 6.011 7.426 1.00 0.00 H new ATOM 0 HB3 SER A 70 100.912 5.467 8.770 1.00 0.00 H new ATOM 0 HG SER A 70 101.399 7.664 8.156 1.00 0.00 H new ATOM 963 N ILE A 71 100.340 4.794 4.770 1.00 0.00 N ATOM 964 CA ILE A 71 100.122 5.129 3.334 1.00 0.00 C ATOM 965 C ILE A 71 98.702 5.670 3.171 1.00 0.00 C ATOM 966 O ILE A 71 97.881 5.513 4.056 1.00 0.00 O ATOM 967 CB ILE A 71 100.287 3.809 2.568 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.271 2.772 3.057 1.00 0.00 C ATOM 969 CG2 ILE A 71 101.699 3.263 2.774 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.280 1.573 2.111 1.00 0.00 C ATOM 0 H ILE A 71 99.542 4.348 5.222 1.00 0.00 H new ATOM 0 HA ILE A 71 100.818 5.882 2.965 1.00 0.00 H new ATOM 0 HB ILE A 71 100.116 4.003 1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 71 99.518 2.453 4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.275 3.212 3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 71 101.810 2.326 2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 71 102.426 3.986 2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 71 101.869 3.086 3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 71 98.558 0.832 2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.013 1.900 1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 71 100.276 1.129 2.095 1.00 0.00 H new ATOM 982 N PHE A 72 98.395 6.299 2.062 1.00 0.00 N ATOM 983 CA PHE A 72 97.009 6.829 1.894 1.00 0.00 C ATOM 984 C PHE A 72 96.227 5.909 0.955 1.00 0.00 C ATOM 985 O PHE A 72 96.662 5.614 -0.141 1.00 0.00 O ATOM 986 CB PHE A 72 97.168 8.223 1.278 1.00 0.00 C ATOM 987 CG PHE A 72 98.008 9.094 2.183 1.00 0.00 C ATOM 988 CD1 PHE A 72 97.439 9.690 3.313 1.00 0.00 C ATOM 989 CD2 PHE A 72 99.361 9.305 1.885 1.00 0.00 C ATOM 990 CE1 PHE A 72 98.222 10.498 4.148 1.00 0.00 C ATOM 991 CE2 PHE A 72 100.143 10.112 2.719 1.00 0.00 C ATOM 992 CZ PHE A 72 99.574 10.708 3.850 1.00 0.00 C ATOM 0 H PHE A 72 99.031 6.465 1.282 1.00 0.00 H new ATOM 0 HA PHE A 72 96.465 6.878 2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 72 97.637 8.145 0.297 1.00 0.00 H new ATOM 0 HB3 PHE A 72 96.189 8.678 1.128 1.00 0.00 H new ATOM 0 HD1 PHE A 72 96.396 9.527 3.542 1.00 0.00 H new ATOM 0 HD2 PHE A 72 99.800 8.845 1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 72 97.783 10.958 5.021 1.00 0.00 H new ATOM 0 HE2 PHE A 72 101.186 10.275 2.490 1.00 0.00 H new ATOM 0 HZ PHE A 72 100.178 11.330 4.494 1.00 0.00 H new ATOM 1002 N ILE A 73 95.089 5.436 1.393 1.00 0.00 N ATOM 1003 CA ILE A 73 94.283 4.505 0.546 1.00 0.00 C ATOM 1004 C ILE A 73 92.905 5.109 0.258 1.00 0.00 C ATOM 1005 O ILE A 73 92.224 5.558 1.166 1.00 0.00 O ATOM 1006 CB ILE A 73 94.149 3.224 1.381 1.00 0.00 C ATOM 1007 CG1 ILE A 73 95.543 2.654 1.701 1.00 0.00 C ATOM 1008 CG2 ILE A 73 93.341 2.181 0.601 1.00 0.00 C ATOM 1009 CD1 ILE A 73 96.309 2.342 0.407 1.00 0.00 C ATOM 0 H ILE A 73 94.682 5.654 2.302 1.00 0.00 H new ATOM 0 HA ILE A 73 94.751 4.314 -0.420 1.00 0.00 H new ATOM 0 HB ILE A 73 93.636 3.462 2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 73 96.106 3.370 2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 73 95.443 1.748 2.298 1.00 0.00 H new ATOM 0 HG21 ILE A 73 93.248 1.273 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.349 2.577 0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 73 93.851 1.951 -0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 73 97.292 1.940 0.654 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.753 1.608 -0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 73 96.427 3.256 -0.176 1.00 0.00 H new ATOM 1021 N ARG A 74 92.482 5.118 -0.983 1.00 0.00 N ATOM 1022 CA ARG A 74 91.141 5.676 -1.304 1.00 0.00 C ATOM 1023 C ARG A 74 90.143 4.526 -1.451 1.00 0.00 C ATOM 1024 O ARG A 74 90.438 3.505 -2.042 1.00 0.00 O ATOM 1025 CB ARG A 74 91.312 6.449 -2.616 1.00 0.00 C ATOM 1026 CG ARG A 74 89.964 7.033 -3.053 1.00 0.00 C ATOM 1027 CD ARG A 74 90.159 7.909 -4.295 1.00 0.00 C ATOM 1028 NE ARG A 74 90.640 9.218 -3.766 1.00 0.00 N ATOM 1029 CZ ARG A 74 91.181 10.090 -4.572 1.00 0.00 C ATOM 1030 NH1 ARG A 74 90.569 10.432 -5.672 1.00 0.00 N1+ ATOM 1031 NH2 ARG A 74 92.334 10.625 -4.274 1.00 0.00 N ATOM 0 H ARG A 74 93.009 4.763 -1.781 1.00 0.00 H new ATOM 0 HA ARG A 74 90.759 6.335 -0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 74 92.040 7.249 -2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 74 91.701 5.788 -3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 74 89.261 6.228 -3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 74 89.533 7.623 -2.244 1.00 0.00 H new ATOM 0 HD2 ARG A 74 90.884 7.469 -4.980 1.00 0.00 H new ATOM 0 HD3 ARG A 74 89.227 8.024 -4.848 1.00 0.00 H new ATOM 0 HE ARG A 74 90.546 9.432 -2.773 1.00 0.00 H new ATOM 0 HH11 ARG A 74 89.666 10.018 -5.903 1.00 0.00 H new ATOM 0 HH12 ARG A 74 90.993 11.114 -6.301 1.00 0.00 H new ATOM 0 HH21 ARG A 74 92.811 10.361 -3.412 1.00 0.00 H new ATOM 0 HH22 ARG A 74 92.758 11.307 -4.903 1.00 0.00 H new ATOM 1045 N GLY A 75 88.967 4.686 -0.899 1.00 0.00 N ATOM 1046 CA GLY A 75 87.936 3.606 -0.979 1.00 0.00 C ATOM 1047 C GLY A 75 87.654 3.262 -2.439 1.00 0.00 C ATOM 1048 O GLY A 75 87.774 4.094 -3.318 1.00 0.00 O ATOM 0 H GLY A 75 88.675 5.522 -0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.284 2.720 -0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 75 87.018 3.931 -0.489 1.00 0.00 H new ATOM 1052 N VAL A 76 87.279 2.040 -2.699 1.00 0.00 N ATOM 1053 CA VAL A 76 86.980 1.613 -4.100 1.00 0.00 C ATOM 1054 C VAL A 76 86.313 0.220 -4.132 1.00 0.00 C ATOM 1055 O VAL A 76 85.553 -0.068 -5.035 1.00 0.00 O ATOM 1056 CB VAL A 76 88.335 1.605 -4.826 1.00 0.00 C ATOM 1057 CG1 VAL A 76 89.291 0.593 -4.187 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.116 1.238 -6.296 1.00 0.00 C ATOM 0 H VAL A 76 87.165 1.310 -1.995 1.00 0.00 H new ATOM 0 HA VAL A 76 86.274 2.288 -4.583 1.00 0.00 H new ATOM 0 HB VAL A 76 88.779 2.597 -4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 76 90.243 0.606 -4.718 1.00 0.00 H new ATOM 0 HG12 VAL A 76 89.455 0.857 -3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 76 88.857 -0.405 -4.245 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.074 1.231 -6.816 1.00 0.00 H new ATOM 0 HG22 VAL A 76 87.661 0.250 -6.360 1.00 0.00 H new ATOM 0 HG23 VAL A 76 87.457 1.972 -6.760 1.00 0.00 H new ATOM 1068 N ASP A 77 86.570 -0.645 -3.169 1.00 0.00 N ATOM 1069 CA ASP A 77 85.938 -2.011 -3.168 1.00 0.00 C ATOM 1070 C ASP A 77 85.312 -2.290 -1.797 1.00 0.00 C ATOM 1071 O ASP A 77 85.571 -1.594 -0.835 1.00 0.00 O ATOM 1072 CB ASP A 77 87.062 -3.042 -3.412 1.00 0.00 C ATOM 1073 CG ASP A 77 88.188 -2.480 -4.291 1.00 0.00 C ATOM 1074 OD1 ASP A 77 87.884 -1.770 -5.231 1.00 0.00 O1- ATOM 1075 OD2 ASP A 77 89.336 -2.766 -3.998 1.00 0.00 O ATOM 0 H ASP A 77 87.192 -0.462 -2.382 1.00 0.00 H new ATOM 0 HA ASP A 77 85.167 -2.072 -3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 77 87.475 -3.359 -2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 77 86.642 -3.929 -3.887 1.00 0.00 H new ATOM 1080 N SER A 78 84.500 -3.314 -1.702 1.00 0.00 N ATOM 1081 CA SER A 78 83.853 -3.657 -0.396 1.00 0.00 C ATOM 1082 C SER A 78 84.662 -4.715 0.356 1.00 0.00 C ATOM 1083 O SER A 78 85.239 -5.609 -0.233 1.00 0.00 O ATOM 1084 CB SER A 78 82.477 -4.204 -0.770 1.00 0.00 C ATOM 1085 OG SER A 78 81.779 -4.570 0.414 1.00 0.00 O ATOM 0 H SER A 78 84.256 -3.931 -2.477 1.00 0.00 H new ATOM 0 HA SER A 78 83.790 -2.791 0.264 1.00 0.00 H new ATOM 0 HB2 SER A 78 81.912 -3.453 -1.321 1.00 0.00 H new ATOM 0 HB3 SER A 78 82.582 -5.068 -1.426 1.00 0.00 H new ATOM 0 HG SER A 78 81.415 -3.766 0.841 1.00 0.00 H new ATOM 1091 N GLY A 79 84.697 -4.614 1.662 1.00 0.00 N ATOM 1092 CA GLY A 79 85.453 -5.605 2.477 1.00 0.00 C ATOM 1093 C GLY A 79 84.530 -6.195 3.544 1.00 0.00 C ATOM 1094 O GLY A 79 83.722 -5.502 4.133 1.00 0.00 O ATOM 0 H GLY A 79 84.231 -3.882 2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 79 85.841 -6.398 1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 79 86.312 -5.126 2.948 1.00 0.00 H new ATOM 1098 N ARG A 80 84.664 -7.465 3.805 1.00 0.00 N ATOM 1099 CA ARG A 80 83.819 -8.123 4.851 1.00 0.00 C ATOM 1100 C ARG A 80 84.072 -7.464 6.215 1.00 0.00 C ATOM 1101 O ARG A 80 83.209 -7.436 7.072 1.00 0.00 O ATOM 1102 CB ARG A 80 84.269 -9.582 4.865 1.00 0.00 C ATOM 1103 CG ARG A 80 83.814 -10.264 3.573 1.00 0.00 C ATOM 1104 CD ARG A 80 84.293 -11.716 3.563 1.00 0.00 C ATOM 1105 NE ARG A 80 83.916 -12.232 2.218 1.00 0.00 N ATOM 1106 CZ ARG A 80 82.813 -12.909 2.064 1.00 0.00 C ATOM 1107 NH1 ARG A 80 81.667 -12.285 2.009 1.00 0.00 N ATOM 1108 NH2 ARG A 80 82.855 -14.208 1.961 1.00 0.00 N1+ ATOM 0 H ARG A 80 85.327 -8.083 3.337 1.00 0.00 H new ATOM 0 HA ARG A 80 82.753 -8.032 4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 80 85.354 -9.639 4.957 1.00 0.00 H new ATOM 0 HB3 ARG A 80 83.848 -10.096 5.729 1.00 0.00 H new ATOM 0 HG2 ARG A 80 82.727 -10.228 3.494 1.00 0.00 H new ATOM 0 HG3 ARG A 80 84.214 -9.733 2.709 1.00 0.00 H new ATOM 0 HD2 ARG A 80 85.369 -11.778 3.723 1.00 0.00 H new ATOM 0 HD3 ARG A 80 83.819 -12.294 4.356 1.00 0.00 H new ATOM 0 HE ARG A 80 84.522 -12.055 1.416 1.00 0.00 H new ATOM 0 HH11 ARG A 80 81.636 -11.268 2.087 1.00 0.00 H new ATOM 0 HH12 ARG A 80 80.803 -12.814 1.888 1.00 0.00 H new ATOM 0 HH21 ARG A 80 83.751 -14.694 2.001 1.00 0.00 H new ATOM 0 HH22 ARG A 80 81.992 -14.738 1.840 1.00 0.00 H new ATOM 1122 N GLY A 81 85.254 -6.933 6.411 1.00 0.00 N ATOM 1123 CA GLY A 81 85.578 -6.269 7.709 1.00 0.00 C ATOM 1124 C GLY A 81 87.074 -5.958 7.776 1.00 0.00 C ATOM 1125 O GLY A 81 87.833 -6.670 8.407 1.00 0.00 O ATOM 0 H GLY A 81 86.009 -6.932 5.725 1.00 0.00 H new ATOM 0 HA2 GLY A 81 85.002 -5.349 7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 81 85.295 -6.916 8.539 1.00 0.00 H new ATOM 1129 N GLY A 82 87.498 -4.892 7.141 1.00 0.00 N ATOM 1130 CA GLY A 82 88.945 -4.530 7.184 1.00 0.00 C ATOM 1131 C GLY A 82 89.367 -3.820 5.895 1.00 0.00 C ATOM 1132 O GLY A 82 88.686 -3.869 4.890 1.00 0.00 O ATOM 0 H GLY A 82 86.907 -4.262 6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 82 89.137 -3.883 8.040 1.00 0.00 H new ATOM 0 HA3 GLY A 82 89.545 -5.429 7.322 1.00 0.00 H new ATOM 1136 N PHE A 83 90.499 -3.166 5.926 1.00 0.00 N ATOM 1137 CA PHE A 83 91.013 -2.445 4.722 1.00 0.00 C ATOM 1138 C PHE A 83 91.934 -3.366 3.916 1.00 0.00 C ATOM 1139 O PHE A 83 92.990 -3.752 4.377 1.00 0.00 O ATOM 1140 CB PHE A 83 91.836 -1.284 5.296 1.00 0.00 C ATOM 1141 CG PHE A 83 90.932 -0.204 5.847 1.00 0.00 C ATOM 1142 CD1 PHE A 83 90.109 -0.462 6.954 1.00 0.00 C ATOM 1143 CD2 PHE A 83 90.928 1.065 5.255 1.00 0.00 C ATOM 1144 CE1 PHE A 83 89.285 0.549 7.462 1.00 0.00 C ATOM 1145 CE2 PHE A 83 90.105 2.075 5.767 1.00 0.00 C ATOM 1146 CZ PHE A 83 89.283 1.816 6.869 1.00 0.00 C ATOM 0 H PHE A 83 91.099 -3.100 6.748 1.00 0.00 H new ATOM 0 HA PHE A 83 90.211 -2.115 4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 83 92.492 -1.653 6.085 1.00 0.00 H new ATOM 0 HB3 PHE A 83 92.476 -0.867 4.518 1.00 0.00 H new ATOM 0 HD1 PHE A 83 90.111 -1.439 7.413 1.00 0.00 H new ATOM 0 HD2 PHE A 83 91.560 1.265 4.403 1.00 0.00 H new ATOM 0 HE1 PHE A 83 88.650 0.351 8.313 1.00 0.00 H new ATOM 0 HE2 PHE A 83 90.105 3.054 5.311 1.00 0.00 H new ATOM 0 HZ PHE A 83 88.646 2.595 7.262 1.00 0.00 H new ATOM 1156 N ASN A 84 91.551 -3.708 2.711 1.00 0.00 N ATOM 1157 CA ASN A 84 92.417 -4.595 1.877 1.00 0.00 C ATOM 1158 C ASN A 84 93.022 -3.772 0.735 1.00 0.00 C ATOM 1159 O ASN A 84 92.313 -3.039 0.085 1.00 0.00 O ATOM 1160 CB ASN A 84 91.467 -5.664 1.333 1.00 0.00 C ATOM 1161 CG ASN A 84 92.258 -6.720 0.558 1.00 0.00 C ATOM 1162 OD1 ASN A 84 93.362 -6.468 0.118 1.00 0.00 O ATOM 1163 ND2 ASN A 84 91.736 -7.900 0.370 1.00 0.00 N ATOM 0 H ASN A 84 90.680 -3.412 2.271 1.00 0.00 H new ATOM 0 HA ASN A 84 93.243 -5.038 2.433 1.00 0.00 H new ATOM 0 HB2 ASN A 84 90.925 -6.133 2.154 1.00 0.00 H new ATOM 0 HB3 ASN A 84 90.723 -5.204 0.682 1.00 0.00 H new ATOM 0 HD21 ASN A 84 92.255 -8.611 -0.146 1.00 0.00 H new ATOM 0 HD22 ASN A 84 90.809 -8.112 0.739 1.00 0.00 H new ATOM 1170 N VAL A 85 94.307 -3.858 0.491 1.00 0.00 N ATOM 1171 CA VAL A 85 94.898 -3.030 -0.615 1.00 0.00 C ATOM 1172 C VAL A 85 95.805 -3.859 -1.523 1.00 0.00 C ATOM 1173 O VAL A 85 96.047 -5.024 -1.285 1.00 0.00 O ATOM 1174 CB VAL A 85 95.704 -1.931 0.088 1.00 0.00 C ATOM 1175 CG1 VAL A 85 94.766 -1.084 0.951 1.00 0.00 C ATOM 1176 CG2 VAL A 85 96.781 -2.561 0.978 1.00 0.00 C ATOM 0 H VAL A 85 94.964 -4.452 0.997 1.00 0.00 H new ATOM 0 HA VAL A 85 94.118 -2.625 -1.260 1.00 0.00 H new ATOM 0 HB VAL A 85 96.181 -1.302 -0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.338 -0.303 1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 85 94.003 -0.628 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.287 -1.718 1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.349 -1.774 1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.308 -3.195 1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.453 -3.163 0.366 1.00 0.00 H new ATOM 1186 N ASN A 86 96.304 -3.259 -2.576 1.00 0.00 N ATOM 1187 CA ASN A 86 97.200 -4.009 -3.514 1.00 0.00 C ATOM 1188 C ASN A 86 98.390 -4.605 -2.740 1.00 0.00 C ATOM 1189 O ASN A 86 98.730 -4.120 -1.679 1.00 0.00 O ATOM 1190 CB ASN A 86 97.695 -2.961 -4.517 1.00 0.00 C ATOM 1191 CG ASN A 86 96.542 -2.515 -5.421 1.00 0.00 C ATOM 1192 OD1 ASN A 86 95.396 -2.842 -5.179 1.00 0.00 O ATOM 1193 ND2 ASN A 86 96.800 -1.769 -6.460 1.00 0.00 N ATOM 0 H ASN A 86 96.131 -2.286 -2.827 1.00 0.00 H new ATOM 0 HA ASN A 86 96.685 -4.834 -4.005 1.00 0.00 H new ATOM 0 HB2 ASN A 86 98.104 -2.102 -3.985 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.502 -3.376 -5.121 1.00 0.00 H new ATOM 0 HD21 ASN A 86 96.041 -1.461 -7.068 1.00 0.00 H new ATOM 0 HD22 ASN A 86 97.761 -1.494 -6.664 1.00 0.00 H new ATOM 1200 N PRO A 87 98.985 -5.644 -3.282 1.00 0.00 N ATOM 1201 CA PRO A 87 100.133 -6.289 -2.603 1.00 0.00 C ATOM 1202 C PRO A 87 101.345 -5.361 -2.596 1.00 0.00 C ATOM 1203 O PRO A 87 102.208 -5.494 -1.754 1.00 0.00 O ATOM 1204 CB PRO A 87 100.396 -7.545 -3.427 1.00 0.00 C ATOM 1205 CG PRO A 87 99.840 -7.234 -4.778 1.00 0.00 C ATOM 1206 CD PRO A 87 98.672 -6.307 -4.559 1.00 0.00 C ATOM 0 HA PRO A 87 99.931 -6.520 -1.557 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.462 -7.769 -3.479 1.00 0.00 H new ATOM 0 HB3 PRO A 87 99.908 -8.416 -2.989 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.595 -6.764 -5.409 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.522 -8.145 -5.285 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.576 -5.586 -5.371 1.00 0.00 H new ATOM 0 HD3 PRO A 87 97.731 -6.855 -4.505 1.00 0.00 H new ATOM 1214 N THR A 88 101.417 -4.409 -3.491 1.00 0.00 N ATOM 1215 CA THR A 88 102.579 -3.474 -3.482 1.00 0.00 C ATOM 1216 C THR A 88 102.396 -2.465 -2.347 1.00 0.00 C ATOM 1217 O THR A 88 103.334 -2.133 -1.646 1.00 0.00 O ATOM 1218 CB THR A 88 102.568 -2.785 -4.840 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.443 -3.761 -5.864 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.868 -2.005 -5.032 1.00 0.00 C ATOM 0 H THR A 88 100.726 -4.240 -4.222 1.00 0.00 H new ATOM 0 HA THR A 88 103.529 -3.983 -3.319 1.00 0.00 H new ATOM 0 HB THR A 88 101.725 -2.096 -4.889 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.434 -3.318 -6.738 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.857 -1.513 -6.005 1.00 0.00 H new ATOM 0 HG22 THR A 88 103.961 -1.255 -4.247 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.714 -2.690 -4.981 1.00 0.00 H new ATOM 1228 N ALA A 89 101.189 -1.998 -2.144 1.00 0.00 N ATOM 1229 CA ALA A 89 100.940 -1.036 -1.032 1.00 0.00 C ATOM 1230 C ALA A 89 101.168 -1.754 0.293 1.00 0.00 C ATOM 1231 O ALA A 89 101.744 -1.210 1.215 1.00 0.00 O ATOM 1232 CB ALA A 89 99.474 -0.610 -1.175 1.00 0.00 C ATOM 0 H ALA A 89 100.369 -2.242 -2.700 1.00 0.00 H new ATOM 0 HA ALA A 89 101.601 -0.170 -1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.223 0.099 -0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.325 -0.140 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 89 98.831 -1.486 -1.093 1.00 0.00 H new ATOM 1238 N PHE A 90 100.741 -2.983 0.379 1.00 0.00 N ATOM 1239 CA PHE A 90 100.952 -3.767 1.636 1.00 0.00 C ATOM 1240 C PHE A 90 102.447 -3.894 1.944 1.00 0.00 C ATOM 1241 O PHE A 90 102.882 -3.651 3.054 1.00 0.00 O ATOM 1242 CB PHE A 90 100.359 -5.151 1.365 1.00 0.00 C ATOM 1243 CG PHE A 90 100.387 -5.954 2.646 1.00 0.00 C ATOM 1244 CD1 PHE A 90 101.560 -6.615 3.035 1.00 0.00 C ATOM 1245 CD2 PHE A 90 99.244 -6.027 3.452 1.00 0.00 C ATOM 1246 CE1 PHE A 90 101.588 -7.349 4.226 1.00 0.00 C ATOM 1247 CE2 PHE A 90 99.272 -6.761 4.644 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.444 -7.423 5.031 1.00 0.00 C ATOM 0 H PHE A 90 100.254 -3.482 -0.366 1.00 0.00 H new ATOM 0 HA PHE A 90 100.483 -3.281 2.491 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.336 -5.058 1.000 1.00 0.00 H new ATOM 0 HB3 PHE A 90 100.929 -5.660 0.588 1.00 0.00 H new ATOM 0 HD1 PHE A 90 102.443 -6.558 2.415 1.00 0.00 H new ATOM 0 HD2 PHE A 90 98.340 -5.517 3.154 1.00 0.00 H new ATOM 0 HE1 PHE A 90 102.492 -7.859 4.525 1.00 0.00 H new ATOM 0 HE2 PHE A 90 98.390 -6.817 5.265 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.466 -7.990 5.950 1.00 0.00 H new ATOM 1258 N THR A 91 103.228 -4.302 0.977 1.00 0.00 N ATOM 1259 CA THR A 91 104.695 -4.481 1.210 1.00 0.00 C ATOM 1260 C THR A 91 105.339 -3.163 1.637 1.00 0.00 C ATOM 1261 O THR A 91 106.216 -3.132 2.469 1.00 0.00 O ATOM 1262 CB THR A 91 105.279 -4.924 -0.134 1.00 0.00 C ATOM 1263 OG1 THR A 91 104.601 -6.082 -0.584 1.00 0.00 O ATOM 1264 CG2 THR A 91 106.758 -5.259 0.049 1.00 0.00 C ATOM 0 H THR A 91 102.913 -4.520 0.032 1.00 0.00 H new ATOM 0 HA THR A 91 104.881 -5.208 2.001 1.00 0.00 H new ATOM 0 HB THR A 91 105.163 -4.122 -0.863 1.00 0.00 H new ATOM 0 HG1 THR A 91 103.814 -5.819 -1.105 1.00 0.00 H new ATOM 0 HG21 THR A 91 107.180 -5.575 -0.905 1.00 0.00 H new ATOM 0 HG22 THR A 91 107.289 -4.377 0.406 1.00 0.00 H new ATOM 0 HG23 THR A 91 106.861 -6.064 0.776 1.00 0.00 H new ATOM 1272 N LYS A 92 104.923 -2.083 1.039 1.00 0.00 N ATOM 1273 CA LYS A 92 105.527 -0.764 1.392 1.00 0.00 C ATOM 1274 C LYS A 92 105.108 -0.334 2.800 1.00 0.00 C ATOM 1275 O LYS A 92 105.898 0.206 3.551 1.00 0.00 O ATOM 1276 CB LYS A 92 104.992 0.217 0.353 1.00 0.00 C ATOM 1277 CG LYS A 92 105.617 -0.088 -1.011 1.00 0.00 C ATOM 1278 CD LYS A 92 105.200 0.986 -2.020 1.00 0.00 C ATOM 1279 CE LYS A 92 103.701 0.875 -2.298 1.00 0.00 C ATOM 1280 NZ LYS A 92 103.407 1.971 -3.263 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.195 -2.053 0.325 1.00 0.00 H new ATOM 0 HA LYS A 92 106.616 -0.807 1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 92 103.906 0.141 0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 92 105.224 1.240 0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.703 -0.119 -0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.297 -1.071 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 92 105.435 1.976 -1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 92 105.762 0.866 -2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 92 103.448 -0.099 -2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 92 103.120 0.988 -1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 102.387 2.173 -3.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 103.930 2.826 -2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 103.699 1.680 -4.218 1.00 0.00 H new ATOM 1294 N LEU A 93 103.871 -0.561 3.154 1.00 0.00 N ATOM 1295 CA LEU A 93 103.392 -0.155 4.512 1.00 0.00 C ATOM 1296 C LEU A 93 104.014 -1.026 5.611 1.00 0.00 C ATOM 1297 O LEU A 93 104.400 -0.533 6.654 1.00 0.00 O ATOM 1298 CB LEU A 93 101.871 -0.339 4.465 1.00 0.00 C ATOM 1299 CG LEU A 93 101.245 0.016 5.820 1.00 0.00 C ATOM 1300 CD1 LEU A 93 101.480 1.494 6.133 1.00 0.00 C ATOM 1301 CD2 LEU A 93 99.741 -0.258 5.768 1.00 0.00 C ATOM 0 H LEU A 93 103.170 -1.009 2.564 1.00 0.00 H new ATOM 0 HA LEU A 93 103.677 0.870 4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.446 0.293 3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 93 101.631 -1.370 4.206 1.00 0.00 H new ATOM 0 HG LEU A 93 101.706 -0.592 6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.032 1.738 7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.551 1.692 6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.024 2.107 5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.292 -0.007 6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.287 0.350 4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 93 99.571 -1.313 5.552 1.00 0.00 H new ATOM 1313 N VAL A 94 104.079 -2.316 5.405 1.00 0.00 N ATOM 1314 CA VAL A 94 104.638 -3.221 6.464 1.00 0.00 C ATOM 1315 C VAL A 94 106.118 -3.524 6.211 1.00 0.00 C ATOM 1316 O VAL A 94 106.915 -3.584 7.128 1.00 0.00 O ATOM 1317 CB VAL A 94 103.801 -4.503 6.362 1.00 0.00 C ATOM 1318 CG1 VAL A 94 104.295 -5.538 7.379 1.00 0.00 C ATOM 1319 CG2 VAL A 94 102.330 -4.180 6.646 1.00 0.00 C ATOM 0 H VAL A 94 103.771 -2.785 4.553 1.00 0.00 H new ATOM 0 HA VAL A 94 104.587 -2.767 7.453 1.00 0.00 H new ATOM 0 HB VAL A 94 103.902 -4.911 5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 94 103.694 -6.444 7.298 1.00 0.00 H new ATOM 0 HG12 VAL A 94 105.339 -5.776 7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 94 104.204 -5.131 8.386 1.00 0.00 H new ATOM 0 HG21 VAL A 94 101.737 -5.091 6.573 1.00 0.00 H new ATOM 0 HG22 VAL A 94 102.236 -3.765 7.649 1.00 0.00 H new ATOM 0 HG23 VAL A 94 101.970 -3.454 5.918 1.00 0.00 H new ATOM 1329 N GLY A 95 106.476 -3.725 4.978 1.00 0.00 N ATOM 1330 CA GLY A 95 107.892 -4.038 4.634 1.00 0.00 C ATOM 1331 C GLY A 95 107.943 -5.397 3.936 1.00 0.00 C ATOM 1332 O GLY A 95 108.685 -5.593 2.992 1.00 0.00 O ATOM 0 H GLY A 95 105.841 -3.686 4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 95 108.302 -3.265 3.984 1.00 0.00 H new ATOM 0 HA3 GLY A 95 108.504 -4.054 5.536 1.00 0.00 H new ATOM 1336 N SER A 96 107.149 -6.331 4.391 1.00 0.00 N ATOM 1337 CA SER A 96 107.130 -7.682 3.758 1.00 0.00 C ATOM 1338 C SER A 96 105.692 -8.206 3.673 1.00 0.00 C ATOM 1339 O SER A 96 104.850 -7.851 4.478 1.00 0.00 O ATOM 1340 CB SER A 96 107.972 -8.563 4.677 1.00 0.00 C ATOM 1341 OG SER A 96 109.291 -8.036 4.753 1.00 0.00 O ATOM 0 H SER A 96 106.510 -6.215 5.178 1.00 0.00 H new ATOM 0 HA SER A 96 107.522 -7.668 2.741 1.00 0.00 H new ATOM 0 HB2 SER A 96 107.526 -8.603 5.671 1.00 0.00 H new ATOM 0 HB3 SER A 96 107.997 -9.585 4.298 1.00 0.00 H new ATOM 0 HG SER A 96 109.834 -8.598 5.344 1.00 0.00 H new ATOM 1347 N THR A 97 105.404 -9.047 2.709 1.00 0.00 N ATOM 1348 CA THR A 97 104.016 -9.595 2.577 1.00 0.00 C ATOM 1349 C THR A 97 103.859 -10.905 3.366 1.00 0.00 C ATOM 1350 O THR A 97 102.842 -11.567 3.284 1.00 0.00 O ATOM 1351 CB THR A 97 103.818 -9.855 1.082 1.00 0.00 C ATOM 1352 OG1 THR A 97 104.789 -10.789 0.631 1.00 0.00 O ATOM 1353 CG2 THR A 97 103.966 -8.550 0.307 1.00 0.00 C ATOM 0 H THR A 97 106.068 -9.377 2.009 1.00 0.00 H new ATOM 0 HA THR A 97 103.278 -8.899 2.976 1.00 0.00 H new ATOM 0 HB THR A 97 102.819 -10.259 0.916 1.00 0.00 H new ATOM 0 HG1 THR A 97 104.661 -10.957 -0.326 1.00 0.00 H new ATOM 0 HG21 THR A 97 103.824 -8.741 -0.757 1.00 0.00 H new ATOM 0 HG22 THR A 97 103.218 -7.836 0.651 1.00 0.00 H new ATOM 0 HG23 THR A 97 104.962 -8.140 0.472 1.00 0.00 H new ATOM 1361 N GLU A 98 104.860 -11.282 4.117 1.00 0.00 N ATOM 1362 CA GLU A 98 104.785 -12.554 4.905 1.00 0.00 C ATOM 1363 C GLU A 98 103.783 -12.421 6.055 1.00 0.00 C ATOM 1364 O GLU A 98 103.187 -13.392 6.481 1.00 0.00 O ATOM 1365 CB GLU A 98 106.197 -12.775 5.445 1.00 0.00 C ATOM 1366 CG GLU A 98 106.364 -14.240 5.855 1.00 0.00 C ATOM 1367 CD GLU A 98 107.783 -14.486 6.392 1.00 0.00 C ATOM 1368 OE1 GLU A 98 108.622 -13.609 6.248 1.00 0.00 O1- ATOM 1369 OE2 GLU A 98 108.008 -15.557 6.930 1.00 0.00 O ATOM 0 H GLU A 98 105.732 -10.763 4.221 1.00 0.00 H new ATOM 0 HA GLU A 98 104.447 -13.390 4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 98 106.933 -12.513 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 98 106.376 -12.124 6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 98 105.630 -14.497 6.618 1.00 0.00 H new ATOM 0 HG3 GLU A 98 106.174 -14.888 4.999 1.00 0.00 H new ATOM 1376 N ALA A 99 103.605 -11.231 6.566 1.00 0.00 N ATOM 1377 CA ALA A 99 102.651 -11.032 7.704 1.00 0.00 C ATOM 1378 C ALA A 99 101.240 -11.473 7.308 1.00 0.00 C ATOM 1379 O ALA A 99 100.527 -12.069 8.094 1.00 0.00 O ATOM 1380 CB ALA A 99 102.676 -9.531 7.996 1.00 0.00 C ATOM 0 H ALA A 99 104.078 -10.386 6.246 1.00 0.00 H new ATOM 0 HA ALA A 99 102.934 -11.622 8.575 1.00 0.00 H new ATOM 0 HB1 ALA A 99 101.999 -9.309 8.821 1.00 0.00 H new ATOM 0 HB2 ALA A 99 103.688 -9.230 8.266 1.00 0.00 H new ATOM 0 HB3 ALA A 99 102.359 -8.982 7.109 1.00 0.00 H new ATOM 1386 N GLY A 100 100.829 -11.180 6.101 1.00 0.00 N ATOM 1387 CA GLY A 100 99.461 -11.577 5.659 1.00 0.00 C ATOM 1388 C GLY A 100 98.487 -10.442 5.973 1.00 0.00 C ATOM 1389 O GLY A 100 98.056 -9.719 5.094 1.00 0.00 O ATOM 0 H GLY A 100 101.383 -10.683 5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 100 99.458 -11.791 4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.151 -12.490 6.167 1.00 0.00 H new ATOM 1393 N ARG A 101 98.145 -10.280 7.225 1.00 0.00 N ATOM 1394 CA ARG A 101 97.205 -9.192 7.617 1.00 0.00 C ATOM 1395 C ARG A 101 97.591 -8.625 8.987 1.00 0.00 C ATOM 1396 O ARG A 101 98.126 -9.328 9.825 1.00 0.00 O ATOM 1397 CB ARG A 101 95.831 -9.859 7.666 1.00 0.00 C ATOM 1398 CG ARG A 101 95.836 -11.011 8.676 1.00 0.00 C ATOM 1399 CD ARG A 101 94.419 -11.559 8.813 1.00 0.00 C ATOM 1400 NE ARG A 101 94.564 -12.820 9.592 1.00 0.00 N ATOM 1401 CZ ARG A 101 94.265 -13.964 9.040 1.00 0.00 C ATOM 1402 NH1 ARG A 101 95.001 -14.433 8.071 1.00 0.00 N1+ ATOM 1403 NH2 ARG A 101 93.230 -14.640 9.459 1.00 0.00 N ATOM 0 H ARG A 101 98.479 -10.859 7.996 1.00 0.00 H new ATOM 0 HA ARG A 101 97.222 -8.354 6.920 1.00 0.00 H new ATOM 0 HB2 ARG A 101 95.073 -9.126 7.943 1.00 0.00 H new ATOM 0 HB3 ARG A 101 95.566 -10.234 6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 101 96.514 -11.798 8.345 1.00 0.00 H new ATOM 0 HG3 ARG A 101 96.200 -10.662 9.643 1.00 0.00 H new ATOM 0 HD2 ARG A 101 93.770 -10.850 9.328 1.00 0.00 H new ATOM 0 HD3 ARG A 101 93.973 -11.748 7.836 1.00 0.00 H new ATOM 0 HE ARG A 101 94.897 -12.789 10.556 1.00 0.00 H new ATOM 0 HH11 ARG A 101 95.811 -13.906 7.744 1.00 0.00 H new ATOM 0 HH12 ARG A 101 94.767 -15.327 7.640 1.00 0.00 H new ATOM 0 HH21 ARG A 101 92.655 -14.274 10.218 1.00 0.00 H new ATOM 0 HH22 ARG A 101 92.996 -15.534 9.028 1.00 0.00 H new ATOM 1417 N VAL A 102 97.327 -7.362 9.220 1.00 0.00 N ATOM 1418 CA VAL A 102 97.684 -6.756 10.541 1.00 0.00 C ATOM 1419 C VAL A 102 96.445 -6.155 11.220 1.00 0.00 C ATOM 1420 O VAL A 102 95.807 -5.264 10.696 1.00 0.00 O ATOM 1421 CB VAL A 102 98.708 -5.661 10.215 1.00 0.00 C ATOM 1422 CG1 VAL A 102 99.151 -4.964 11.505 1.00 0.00 C ATOM 1423 CG2 VAL A 102 99.930 -6.291 9.540 1.00 0.00 C ATOM 0 H VAL A 102 96.882 -6.728 8.557 1.00 0.00 H new ATOM 0 HA VAL A 102 98.084 -7.497 11.232 1.00 0.00 H new ATOM 0 HB VAL A 102 98.251 -4.931 9.546 1.00 0.00 H new ATOM 0 HG11 VAL A 102 99.878 -4.187 11.268 1.00 0.00 H new ATOM 0 HG12 VAL A 102 98.285 -4.514 11.991 1.00 0.00 H new ATOM 0 HG13 VAL A 102 99.605 -5.694 12.175 1.00 0.00 H new ATOM 0 HG21 VAL A 102 100.658 -5.514 9.308 1.00 0.00 H new ATOM 0 HG22 VAL A 102 100.380 -7.022 10.212 1.00 0.00 H new ATOM 0 HG23 VAL A 102 99.622 -6.786 8.619 1.00 0.00 H new ATOM 1433 N ASP A 103 96.108 -6.650 12.382 1.00 0.00 N ATOM 1434 CA ASP A 103 94.916 -6.126 13.114 1.00 0.00 C ATOM 1435 C ASP A 103 95.282 -4.875 13.912 1.00 0.00 C ATOM 1436 O ASP A 103 96.434 -4.498 14.001 1.00 0.00 O ATOM 1437 CB ASP A 103 94.499 -7.258 14.052 1.00 0.00 C ATOM 1438 CG ASP A 103 92.981 -7.227 14.246 1.00 0.00 C ATOM 1439 OD1 ASP A 103 92.427 -6.139 14.263 1.00 0.00 O ATOM 1440 OD2 ASP A 103 92.398 -8.291 14.370 1.00 0.00 O1- ATOM 0 H ASP A 103 96.610 -7.399 12.859 1.00 0.00 H new ATOM 0 HA ASP A 103 94.113 -5.839 12.435 1.00 0.00 H new ATOM 0 HB2 ASP A 103 94.804 -8.219 13.638 1.00 0.00 H new ATOM 0 HB3 ASP A 103 95.001 -7.152 15.013 1.00 0.00 H new ATOM 1445 N ASN A 104 94.301 -4.233 14.499 1.00 0.00 N ATOM 1446 CA ASN A 104 94.561 -2.998 15.314 1.00 0.00 C ATOM 1447 C ASN A 104 95.206 -1.904 14.461 1.00 0.00 C ATOM 1448 O ASN A 104 96.170 -1.278 14.860 1.00 0.00 O ATOM 1449 CB ASN A 104 95.512 -3.431 16.440 1.00 0.00 C ATOM 1450 CG ASN A 104 95.569 -2.350 17.525 1.00 0.00 C ATOM 1451 OD1 ASN A 104 95.092 -1.248 17.335 1.00 0.00 O ATOM 1452 ND2 ASN A 104 96.141 -2.624 18.666 1.00 0.00 N ATOM 0 H ASN A 104 93.321 -4.512 14.449 1.00 0.00 H new ATOM 0 HA ASN A 104 93.633 -2.582 15.707 1.00 0.00 H new ATOM 0 HB2 ASN A 104 95.173 -4.373 16.871 1.00 0.00 H new ATOM 0 HB3 ASN A 104 96.510 -3.606 16.037 1.00 0.00 H new ATOM 0 HD21 ASN A 104 96.187 -1.914 19.397 1.00 0.00 H new ATOM 0 HD22 ASN A 104 96.542 -3.548 18.827 1.00 0.00 H new ATOM 1459 N VAL A 105 94.680 -1.683 13.286 1.00 0.00 N ATOM 1460 CA VAL A 105 95.263 -0.636 12.392 1.00 0.00 C ATOM 1461 C VAL A 105 94.505 0.686 12.549 1.00 0.00 C ATOM 1462 O VAL A 105 93.297 0.729 12.444 1.00 0.00 O ATOM 1463 CB VAL A 105 95.116 -1.186 10.971 1.00 0.00 C ATOM 1464 CG1 VAL A 105 95.672 -0.176 9.959 1.00 0.00 C ATOM 1465 CG2 VAL A 105 95.897 -2.497 10.850 1.00 0.00 C ATOM 0 H VAL A 105 93.874 -2.180 12.906 1.00 0.00 H new ATOM 0 HA VAL A 105 96.305 -0.427 12.634 1.00 0.00 H new ATOM 0 HB VAL A 105 94.060 -1.362 10.764 1.00 0.00 H new ATOM 0 HG11 VAL A 105 95.564 -0.575 8.950 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.121 0.761 10.040 1.00 0.00 H new ATOM 0 HG13 VAL A 105 96.727 0.004 10.167 1.00 0.00 H new ATOM 0 HG21 VAL A 105 95.793 -2.890 9.839 1.00 0.00 H new ATOM 0 HG22 VAL A 105 96.950 -2.314 11.062 1.00 0.00 H new ATOM 0 HG23 VAL A 105 95.504 -3.222 11.563 1.00 0.00 H new ATOM 1475 N ASN A 106 95.203 1.770 12.794 1.00 0.00 N ATOM 1476 CA ASN A 106 94.497 3.076 12.947 1.00 0.00 C ATOM 1477 C ASN A 106 94.282 3.709 11.570 1.00 0.00 C ATOM 1478 O ASN A 106 95.158 3.716 10.727 1.00 0.00 O ATOM 1479 CB ASN A 106 95.383 3.942 13.840 1.00 0.00 C ATOM 1480 CG ASN A 106 94.701 5.289 14.086 1.00 0.00 C ATOM 1481 OD1 ASN A 106 93.492 5.390 14.031 1.00 0.00 O ATOM 1482 ND2 ASN A 106 95.432 6.336 14.356 1.00 0.00 N ATOM 0 H ASN A 106 96.218 1.805 12.893 1.00 0.00 H new ATOM 0 HA ASN A 106 93.511 2.962 13.398 1.00 0.00 H new ATOM 0 HB2 ASN A 106 95.566 3.437 14.788 1.00 0.00 H new ATOM 0 HB3 ASN A 106 96.354 4.095 13.368 1.00 0.00 H new ATOM 0 HD21 ASN A 106 94.988 7.239 14.521 1.00 0.00 H new ATOM 0 HD22 ASN A 106 96.447 6.251 14.402 1.00 0.00 H new ATOM 1489 N TYR A 107 93.104 4.229 11.348 1.00 0.00 N ATOM 1490 CA TYR A 107 92.781 4.860 10.031 1.00 0.00 C ATOM 1491 C TYR A 107 92.108 6.219 10.232 1.00 0.00 C ATOM 1492 O TYR A 107 91.298 6.394 11.122 1.00 0.00 O ATOM 1493 CB TYR A 107 91.814 3.889 9.336 1.00 0.00 C ATOM 1494 CG TYR A 107 90.642 3.570 10.240 1.00 0.00 C ATOM 1495 CD1 TYR A 107 89.496 4.374 10.216 1.00 0.00 C ATOM 1496 CD2 TYR A 107 90.709 2.470 11.105 1.00 0.00 C ATOM 1497 CE1 TYR A 107 88.416 4.076 11.057 1.00 0.00 C ATOM 1498 CE2 TYR A 107 89.629 2.172 11.945 1.00 0.00 C ATOM 1499 CZ TYR A 107 88.482 2.976 11.920 1.00 0.00 C ATOM 1500 OH TYR A 107 87.417 2.684 12.748 1.00 0.00 O ATOM 0 H TYR A 107 92.344 4.244 12.028 1.00 0.00 H new ATOM 0 HA TYR A 107 93.681 5.034 9.441 1.00 0.00 H new ATOM 0 HB2 TYR A 107 91.454 4.328 8.406 1.00 0.00 H new ATOM 0 HB3 TYR A 107 92.338 2.970 9.073 1.00 0.00 H new ATOM 0 HD1 TYR A 107 89.445 5.223 9.550 1.00 0.00 H new ATOM 0 HD2 TYR A 107 91.594 1.851 11.124 1.00 0.00 H new ATOM 0 HE1 TYR A 107 87.532 4.696 11.039 1.00 0.00 H new ATOM 0 HE2 TYR A 107 89.680 1.324 12.611 1.00 0.00 H new ATOM 0 HH TYR A 107 87.626 1.889 13.281 1.00 0.00 H new ATOM 1510 N VAL A 108 92.443 7.183 9.408 1.00 0.00 N ATOM 1511 CA VAL A 108 91.829 8.540 9.546 1.00 0.00 C ATOM 1512 C VAL A 108 91.616 9.190 8.170 1.00 0.00 C ATOM 1513 O VAL A 108 92.447 9.084 7.287 1.00 0.00 O ATOM 1514 CB VAL A 108 92.831 9.350 10.380 1.00 0.00 C ATOM 1515 CG1 VAL A 108 93.008 8.694 11.751 1.00 0.00 C ATOM 1516 CG2 VAL A 108 94.186 9.399 9.663 1.00 0.00 C ATOM 0 H VAL A 108 93.115 7.088 8.646 1.00 0.00 H new ATOM 0 HA VAL A 108 90.847 8.494 10.018 1.00 0.00 H new ATOM 0 HB VAL A 108 92.451 10.364 10.506 1.00 0.00 H new ATOM 0 HG11 VAL A 108 93.720 9.271 12.341 1.00 0.00 H new ATOM 0 HG12 VAL A 108 92.048 8.665 12.267 1.00 0.00 H new ATOM 0 HG13 VAL A 108 93.382 7.678 11.623 1.00 0.00 H new ATOM 0 HG21 VAL A 108 94.893 9.975 10.260 1.00 0.00 H new ATOM 0 HG22 VAL A 108 94.565 8.385 9.531 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.065 9.871 8.688 1.00 0.00 H new ATOM 1526 N GLN A 109 90.517 9.881 7.997 1.00 0.00 N ATOM 1527 CA GLN A 109 90.242 10.568 6.694 1.00 0.00 C ATOM 1528 C GLN A 109 91.177 11.762 6.516 1.00 0.00 C ATOM 1529 O GLN A 109 91.456 12.489 7.452 1.00 0.00 O ATOM 1530 CB GLN A 109 88.795 11.053 6.784 1.00 0.00 C ATOM 1531 CG GLN A 109 88.390 11.717 5.467 1.00 0.00 C ATOM 1532 CD GLN A 109 86.943 12.202 5.558 1.00 0.00 C ATOM 1533 OE1 GLN A 109 86.542 12.774 6.554 1.00 0.00 O ATOM 1534 NE2 GLN A 109 86.135 11.995 4.554 1.00 0.00 N ATOM 0 H GLN A 109 89.793 10.000 8.706 1.00 0.00 H new ATOM 0 HA GLN A 109 90.399 9.900 5.847 1.00 0.00 H new ATOM 0 HB2 GLN A 109 88.133 10.214 6.998 1.00 0.00 H new ATOM 0 HB3 GLN A 109 88.689 11.760 7.607 1.00 0.00 H new ATOM 0 HG2 GLN A 109 89.052 12.556 5.253 1.00 0.00 H new ATOM 0 HG3 GLN A 109 88.496 11.010 4.644 1.00 0.00 H new ATOM 0 HE21 GLN A 109 86.472 11.515 3.719 1.00 0.00 H new ATOM 0 HE22 GLN A 109 85.167 12.313 4.604 1.00 0.00 H new ATOM 1543 N VAL A 110 91.653 11.971 5.314 1.00 0.00 N ATOM 1544 CA VAL A 110 92.563 13.121 5.059 1.00 0.00 C ATOM 1545 C VAL A 110 92.121 13.874 3.795 1.00 0.00 C ATOM 1546 O VAL A 110 91.305 13.388 3.035 1.00 0.00 O ATOM 1547 CB VAL A 110 93.957 12.510 4.880 1.00 0.00 C ATOM 1548 CG1 VAL A 110 94.358 11.767 6.157 1.00 0.00 C ATOM 1549 CG2 VAL A 110 93.946 11.524 3.705 1.00 0.00 C ATOM 0 H VAL A 110 91.448 11.392 4.500 1.00 0.00 H new ATOM 0 HA VAL A 110 92.552 13.844 5.875 1.00 0.00 H new ATOM 0 HB VAL A 110 94.673 13.307 4.678 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.349 11.333 6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 110 94.373 12.465 6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.638 10.974 6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 110 94.940 11.093 3.583 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.227 10.729 3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.663 12.049 2.792 1.00 0.00 H new ATOM 1559 N ASP A 111 92.652 15.049 3.566 1.00 0.00 N ATOM 1560 CA ASP A 111 92.260 15.828 2.345 1.00 0.00 C ATOM 1561 C ASP A 111 92.625 15.047 1.074 1.00 0.00 C ATOM 1562 O ASP A 111 93.587 14.304 1.047 1.00 0.00 O ATOM 1563 CB ASP A 111 93.061 17.127 2.422 1.00 0.00 C ATOM 1564 CG ASP A 111 92.527 17.998 3.565 1.00 0.00 C ATOM 1565 OD1 ASP A 111 91.346 17.903 3.858 1.00 0.00 O1- ATOM 1566 OD2 ASP A 111 93.310 18.749 4.124 1.00 0.00 O ATOM 0 H ASP A 111 93.338 15.504 4.168 1.00 0.00 H new ATOM 0 HA ASP A 111 91.187 16.014 2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 111 94.116 16.906 2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 111 92.989 17.666 1.477 1.00 0.00 H new ATOM 1571 N LEU A 112 91.855 15.207 0.025 1.00 0.00 N ATOM 1572 CA LEU A 112 92.139 14.473 -1.254 1.00 0.00 C ATOM 1573 C LEU A 112 93.497 14.883 -1.837 1.00 0.00 C ATOM 1574 O LEU A 112 94.228 14.065 -2.363 1.00 0.00 O ATOM 1575 CB LEU A 112 91.017 14.878 -2.209 1.00 0.00 C ATOM 1576 CG LEU A 112 91.197 14.155 -3.552 1.00 0.00 C ATOM 1577 CD1 LEU A 112 89.830 13.794 -4.134 1.00 0.00 C ATOM 1578 CD2 LEU A 112 91.942 15.070 -4.527 1.00 0.00 C ATOM 0 H LEU A 112 91.038 15.817 -0.003 1.00 0.00 H new ATOM 0 HA LEU A 112 92.179 13.396 -1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 112 90.049 14.626 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 112 91.027 15.957 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 112 91.772 13.242 -3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.964 13.281 -5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 112 89.301 13.140 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 112 89.249 14.703 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 112 92.070 14.558 -5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 112 91.367 15.983 -4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.920 15.321 -4.116 1.00 0.00 H new ATOM 1590 N SER A 113 93.820 16.146 -1.771 1.00 0.00 N ATOM 1591 CA SER A 113 95.114 16.635 -2.344 1.00 0.00 C ATOM 1592 C SER A 113 96.295 15.878 -1.730 1.00 0.00 C ATOM 1593 O SER A 113 97.250 15.565 -2.407 1.00 0.00 O ATOM 1594 CB SER A 113 95.182 18.117 -1.982 1.00 0.00 C ATOM 1595 OG SER A 113 94.210 18.828 -2.738 1.00 0.00 O ATOM 0 H SER A 113 93.241 16.868 -1.342 1.00 0.00 H new ATOM 0 HA SER A 113 95.165 16.477 -3.421 1.00 0.00 H new ATOM 0 HB2 SER A 113 95.001 18.252 -0.916 1.00 0.00 H new ATOM 0 HB3 SER A 113 96.178 18.509 -2.188 1.00 0.00 H new ATOM 0 HG SER A 113 94.249 19.780 -2.508 1.00 0.00 H new ATOM 1601 N ASN A 114 96.234 15.581 -0.460 1.00 0.00 N ATOM 1602 CA ASN A 114 97.355 14.838 0.200 1.00 0.00 C ATOM 1603 C ASN A 114 97.554 13.474 -0.468 1.00 0.00 C ATOM 1604 O ASN A 114 98.669 13.015 -0.622 1.00 0.00 O ATOM 1605 CB ASN A 114 96.932 14.667 1.661 1.00 0.00 C ATOM 1606 CG ASN A 114 96.995 16.020 2.377 1.00 0.00 C ATOM 1607 OD1 ASN A 114 97.701 16.912 1.952 1.00 0.00 O ATOM 1608 ND2 ASN A 114 96.284 16.209 3.455 1.00 0.00 N ATOM 0 H ASN A 114 95.455 15.820 0.154 1.00 0.00 H new ATOM 0 HA ASN A 114 98.301 15.373 0.118 1.00 0.00 H new ATOM 0 HB2 ASN A 114 95.921 14.264 1.712 1.00 0.00 H new ATOM 0 HB3 ASN A 114 97.586 13.951 2.158 1.00 0.00 H new ATOM 0 HD21 ASN A 114 96.322 17.106 3.940 1.00 0.00 H new ATOM 0 HD22 ASN A 114 95.691 15.460 3.812 1.00 0.00 H new ATOM 1615 N CYS A 115 96.490 12.843 -0.893 1.00 0.00 N ATOM 1616 CA CYS A 115 96.631 11.526 -1.589 1.00 0.00 C ATOM 1617 C CYS A 115 97.262 11.743 -2.959 1.00 0.00 C ATOM 1618 O CYS A 115 98.073 10.963 -3.413 1.00 0.00 O ATOM 1619 CB CYS A 115 95.215 10.996 -1.781 1.00 0.00 C ATOM 1620 SG CYS A 115 94.405 10.781 -0.187 1.00 0.00 S ATOM 0 H CYS A 115 95.533 13.180 -0.790 1.00 0.00 H new ATOM 0 HA CYS A 115 97.253 10.837 -1.017 1.00 0.00 H new ATOM 0 HB2 CYS A 115 94.641 11.688 -2.397 1.00 0.00 H new ATOM 0 HB3 CYS A 115 95.245 10.045 -2.313 1.00 0.00 H new ATOM 1625 N ILE A 116 96.862 12.792 -3.626 1.00 0.00 N ATOM 1626 CA ILE A 116 97.405 13.066 -4.988 1.00 0.00 C ATOM 1627 C ILE A 116 98.891 13.405 -4.883 1.00 0.00 C ATOM 1628 O ILE A 116 99.696 12.991 -5.696 1.00 0.00 O ATOM 1629 CB ILE A 116 96.607 14.267 -5.514 1.00 0.00 C ATOM 1630 CG1 ILE A 116 95.102 13.947 -5.540 1.00 0.00 C ATOM 1631 CG2 ILE A 116 97.070 14.609 -6.931 1.00 0.00 C ATOM 1632 CD1 ILE A 116 94.829 12.708 -6.397 1.00 0.00 C ATOM 0 H ILE A 116 96.182 13.472 -3.286 1.00 0.00 H new ATOM 0 HA ILE A 116 97.312 12.209 -5.655 1.00 0.00 H new ATOM 0 HB ILE A 116 96.779 15.114 -4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 116 94.743 13.780 -4.525 1.00 0.00 H new ATOM 0 HG13 ILE A 116 94.550 14.799 -5.937 1.00 0.00 H new ATOM 0 HG21 ILE A 116 96.503 15.462 -7.303 1.00 0.00 H new ATOM 0 HG22 ILE A 116 98.131 14.857 -6.917 1.00 0.00 H new ATOM 0 HG23 ILE A 116 96.907 13.752 -7.584 1.00 0.00 H new ATOM 0 HD11 ILE A 116 93.759 12.498 -6.403 1.00 0.00 H new ATOM 0 HD12 ILE A 116 95.169 12.889 -7.417 1.00 0.00 H new ATOM 0 HD13 ILE A 116 95.364 11.854 -5.982 1.00 0.00 H new ATOM 1644 N ASN A 117 99.252 14.158 -3.878 1.00 0.00 N ATOM 1645 CA ASN A 117 100.683 14.541 -3.690 1.00 0.00 C ATOM 1646 C ASN A 117 101.509 13.321 -3.271 1.00 0.00 C ATOM 1647 O ASN A 117 102.632 13.142 -3.701 1.00 0.00 O ATOM 1648 CB ASN A 117 100.670 15.588 -2.575 1.00 0.00 C ATOM 1649 CG ASN A 117 100.034 16.880 -3.093 1.00 0.00 C ATOM 1650 OD1 ASN A 117 100.118 17.183 -4.268 1.00 0.00 O ATOM 1651 ND2 ASN A 117 99.394 17.657 -2.263 1.00 0.00 N ATOM 0 H ASN A 117 98.613 14.527 -3.174 1.00 0.00 H new ATOM 0 HA ASN A 117 101.130 14.926 -4.606 1.00 0.00 H new ATOM 0 HB2 ASN A 117 100.111 15.214 -1.717 1.00 0.00 H new ATOM 0 HB3 ASN A 117 101.686 15.783 -2.233 1.00 0.00 H new ATOM 0 HD21 ASN A 117 98.964 18.519 -2.599 1.00 0.00 H new ATOM 0 HD22 ASN A 117 99.324 17.403 -1.278 1.00 0.00 H new ATOM 1658 N GLY A 118 100.961 12.493 -2.418 1.00 0.00 N ATOM 1659 CA GLY A 118 101.704 11.290 -1.941 1.00 0.00 C ATOM 1660 C GLY A 118 101.811 10.242 -3.053 1.00 0.00 C ATOM 1661 O GLY A 118 102.893 9.828 -3.424 1.00 0.00 O ATOM 0 H GLY A 118 100.024 12.601 -2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 118 102.702 11.580 -1.611 1.00 0.00 H new ATOM 0 HA3 GLY A 118 101.195 10.861 -1.078 1.00 0.00 H new ATOM 1665 N ALA A 119 100.695 9.801 -3.574 1.00 0.00 N ATOM 1666 CA ALA A 119 100.723 8.764 -4.654 1.00 0.00 C ATOM 1667 C ALA A 119 101.496 9.273 -5.873 1.00 0.00 C ATOM 1668 O ALA A 119 102.263 8.547 -6.477 1.00 0.00 O ATOM 1669 CB ALA A 119 99.256 8.518 -5.016 1.00 0.00 C ATOM 0 H ALA A 119 99.764 10.113 -3.299 1.00 0.00 H new ATOM 0 HA ALA A 119 101.221 7.852 -4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 119 99.197 7.767 -5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 119 98.719 8.164 -4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 119 98.807 9.447 -5.366 1.00 0.00 H new ATOM 1675 N ASN A 120 101.297 10.513 -6.240 1.00 0.00 N ATOM 1676 CA ASN A 120 102.016 11.073 -7.421 1.00 0.00 C ATOM 1677 C ASN A 120 103.096 12.059 -6.967 1.00 0.00 C ATOM 1678 O ASN A 120 104.259 11.791 -7.222 1.00 0.00 O ATOM 1679 CB ASN A 120 100.941 11.791 -8.236 1.00 0.00 C ATOM 1680 CG ASN A 120 101.460 12.058 -9.652 1.00 0.00 C ATOM 1681 OD1 ASN A 120 102.383 11.412 -10.107 1.00 0.00 O ATOM 1682 ND2 ASN A 120 100.899 12.989 -10.375 1.00 0.00 N ATOM 1683 OXT ASN A 120 102.741 13.063 -6.373 1.00 0.00 O ATOM 0 H ASN A 120 100.666 11.162 -5.771 1.00 0.00 H new ATOM 0 HA ASN A 120 102.519 10.300 -8.002 1.00 0.00 H new ATOM 0 HB2 ASN A 120 100.037 11.184 -8.278 1.00 0.00 H new ATOM 0 HB3 ASN A 120 100.672 12.731 -7.754 1.00 0.00 H new ATOM 0 HD21 ASN A 120 101.236 13.173 -11.320 1.00 0.00 H new ATOM 0 HD22 ASN A 120 100.124 13.532 -9.995 1.00 0.00 H new TER 1690 ASN A 120