USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=24 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 Single : A 1 VAL N :NH3+ -107:sc= -1.89! (180deg=-2.38) USER MOD Single : A 2 SER OG : rot -160:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -42:sc= 0.235 USER MOD Single : A 9 TYR OH : rot -170:sc= -1.34 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -126:sc= -0.704 (180deg=-1.09) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 57:sc= 0.642 USER MOD Single : A 22 ASN : amide:sc= -0.024 X(o=-0.024,f=-0.2) USER MOD Single : A 25 HIS : no HD1:sc= -4.02 K(o=-4,f=-3!) USER MOD Single : A 28 MET CE :methyl -159:sc= -3.51! (180deg=-4.12!) USER MOD Single : A 30 GLN : amide:sc= -0.14 X(o=-0.14,f=0) 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= -1.41 K(o=-1.4,f=-3.9!) USER MOD Single : A 54 SER OG : rot -106:sc= -1.74! USER MOD Single : A 56 SER OG : rot 127:sc= 0.35 USER MOD Single : A 59 THR OG1 : rot 103:sc= 0.731 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= -0.369 K(o=-0.37,f=-1.5!) USER MOD Single : A 69 ASN : amide:sc= -1.43 K(o=-1.4,f=-4!) USER MOD Single : A 70 SER OG : rot -170:sc= 0 USER MOD Single : A 78 SER OG : rot 76:sc= 0.782 USER MOD Single : A 84 ASN : amide:sc=-0.00214 X(o=-0.0021,f=-0.49) USER MOD Single : A 86 ASN : amide:sc= -4.74 K(o=-4.7,f=-9.5!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 91:sc= -0.824 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.444 K(o=-0.44,f=-3.2!) USER MOD Single : A 106 ASN : amide:sc= -0.171 K(o=-0.17,f=-1) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.49) USER MOD Single : A 113 SER OG : rot 180:sc= -0.0249 USER MOD Single : A 114 ASN : amide:sc= -0.324 K(o=-0.32,f=-1.4!) USER MOD Single : A 117 ASN : amide:sc= -1.03 K(o=-1,f=-1.9!) USER MOD Single : A 120 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.0021) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 91.140 -3.991 13.949 1.00 0.00 N ATOM 2 CA VAL A 1 90.904 -4.146 12.484 1.00 0.00 C ATOM 3 C VAL A 1 92.135 -4.755 11.807 1.00 0.00 C ATOM 4 O VAL A 1 93.265 -4.495 12.188 1.00 0.00 O ATOM 5 CB VAL A 1 90.621 -2.736 11.956 1.00 0.00 C ATOM 6 CG1 VAL A 1 89.369 -2.183 12.639 1.00 0.00 C ATOM 7 CG2 VAL A 1 91.798 -1.821 12.257 1.00 0.00 C ATOM 0 H1 VAL A 1 90.588 -4.704 14.467 1.00 0.00 H new ATOM 0 H2 VAL A 1 92.151 -4.121 14.153 1.00 0.00 H new ATOM 0 H3 VAL A 1 90.846 -3.040 14.249 1.00 0.00 H new ATOM 0 HA VAL A 1 90.071 -4.817 12.275 1.00 0.00 H new ATOM 0 HB VAL A 1 90.468 -2.783 10.878 1.00 0.00 H new ATOM 0 HG11 VAL A 1 89.164 -1.180 12.266 1.00 0.00 H new ATOM 0 HG12 VAL A 1 88.520 -2.831 12.422 1.00 0.00 H new ATOM 0 HG13 VAL A 1 89.530 -2.144 13.716 1.00 0.00 H new ATOM 0 HG21 VAL A 1 91.588 -0.821 11.878 1.00 0.00 H new ATOM 0 HG22 VAL A 1 91.957 -1.775 13.334 1.00 0.00 H new ATOM 0 HG23 VAL A 1 92.694 -2.211 11.775 1.00 0.00 H new ATOM 17 N SER A 2 91.914 -5.593 10.832 1.00 0.00 N ATOM 18 CA SER A 2 93.046 -6.256 10.125 1.00 0.00 C ATOM 19 C SER A 2 93.141 -5.781 8.675 1.00 0.00 C ATOM 20 O SER A 2 92.152 -5.523 8.014 1.00 0.00 O ATOM 21 CB SER A 2 92.729 -7.747 10.180 1.00 0.00 C ATOM 22 OG SER A 2 92.648 -8.162 11.537 1.00 0.00 O ATOM 0 H SER A 2 90.987 -5.849 10.491 1.00 0.00 H new ATOM 0 HA SER A 2 94.004 -6.021 10.589 1.00 0.00 H new ATOM 0 HB2 SER A 2 91.787 -7.949 9.669 1.00 0.00 H new ATOM 0 HB3 SER A 2 93.501 -8.314 9.660 1.00 0.00 H new ATOM 0 HG SER A 2 92.763 -9.134 11.589 1.00 0.00 H new ATOM 28 N ILE A 3 94.343 -5.682 8.185 1.00 0.00 N ATOM 29 CA ILE A 3 94.575 -5.249 6.780 1.00 0.00 C ATOM 30 C ILE A 3 95.199 -6.395 5.998 1.00 0.00 C ATOM 31 O ILE A 3 95.966 -7.176 6.530 1.00 0.00 O ATOM 32 CB ILE A 3 95.558 -4.072 6.856 1.00 0.00 C ATOM 33 CG1 ILE A 3 96.825 -4.481 7.621 1.00 0.00 C ATOM 34 CG2 ILE A 3 94.890 -2.893 7.560 1.00 0.00 C ATOM 35 CD1 ILE A 3 97.951 -3.497 7.301 1.00 0.00 C ATOM 0 H ILE A 3 95.193 -5.887 8.710 1.00 0.00 H new ATOM 0 HA ILE A 3 93.648 -4.961 6.283 1.00 0.00 H new ATOM 0 HB ILE A 3 95.839 -3.782 5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.629 -4.490 8.693 1.00 0.00 H new ATOM 0 HG13 ILE A 3 97.121 -5.492 7.342 1.00 0.00 H new ATOM 0 HG21 ILE A 3 95.589 -2.058 7.614 1.00 0.00 H new ATOM 0 HG22 ILE A 3 94.004 -2.590 7.001 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.600 -3.188 8.568 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.851 -3.786 7.843 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.152 -3.510 6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.653 -2.493 7.602 1.00 0.00 H new ATOM 47 N SER A 4 94.881 -6.503 4.741 1.00 0.00 N ATOM 48 CA SER A 4 95.458 -7.594 3.913 1.00 0.00 C ATOM 49 C SER A 4 95.670 -7.061 2.504 1.00 0.00 C ATOM 50 O SER A 4 95.485 -5.883 2.252 1.00 0.00 O ATOM 51 CB SER A 4 94.412 -8.712 3.920 1.00 0.00 C ATOM 52 OG SER A 4 95.018 -9.915 4.374 1.00 0.00 O ATOM 0 H SER A 4 94.242 -5.879 4.249 1.00 0.00 H new ATOM 0 HA SER A 4 96.415 -7.958 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 4 93.579 -8.443 4.569 1.00 0.00 H new ATOM 0 HB3 SER A 4 94.004 -8.851 2.919 1.00 0.00 H new ATOM 0 HG SER A 4 94.352 -10.634 4.382 1.00 0.00 H new ATOM 58 N TYR A 5 96.029 -7.906 1.583 1.00 0.00 N ATOM 59 CA TYR A 5 96.219 -7.427 0.191 1.00 0.00 C ATOM 60 C TYR A 5 95.758 -8.492 -0.796 1.00 0.00 C ATOM 61 O TYR A 5 95.825 -9.676 -0.518 1.00 0.00 O ATOM 62 CB TYR A 5 97.719 -7.142 0.057 1.00 0.00 C ATOM 63 CG TYR A 5 98.519 -8.397 0.315 1.00 0.00 C ATOM 64 CD1 TYR A 5 98.940 -8.701 1.616 1.00 0.00 C ATOM 65 CD2 TYR A 5 98.848 -9.250 -0.745 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.690 -9.856 1.855 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.597 -10.407 -0.505 1.00 0.00 C ATOM 68 CZ TYR A 5 100.018 -10.711 0.795 1.00 0.00 C ATOM 69 OH TYR A 5 100.759 -11.852 1.032 1.00 0.00 O ATOM 0 H TYR A 5 96.198 -8.901 1.732 1.00 0.00 H new ATOM 0 HA TYR A 5 95.633 -6.534 -0.025 1.00 0.00 H new ATOM 0 HB2 TYR A 5 97.936 -6.764 -0.942 1.00 0.00 H new ATOM 0 HB3 TYR A 5 98.012 -6.365 0.763 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.685 -8.043 2.434 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.524 -9.015 -1.748 1.00 0.00 H new ATOM 0 HE1 TYR A 5 100.017 -10.089 2.858 1.00 0.00 H new ATOM 0 HE2 TYR A 5 99.850 -11.066 -1.323 1.00 0.00 H new ATOM 0 HH TYR A 5 101.486 -11.646 1.655 1.00 0.00 H new ATOM 79 N ASP A 6 95.289 -8.083 -1.946 1.00 0.00 N ATOM 80 CA ASP A 6 94.821 -9.081 -2.952 1.00 0.00 C ATOM 81 C ASP A 6 95.416 -8.773 -4.334 1.00 0.00 C ATOM 82 O ASP A 6 95.655 -7.626 -4.656 1.00 0.00 O ATOM 83 CB ASP A 6 93.301 -8.937 -2.979 1.00 0.00 C ATOM 84 CG ASP A 6 92.697 -9.621 -1.749 1.00 0.00 C ATOM 85 OD1 ASP A 6 93.167 -9.356 -0.655 1.00 0.00 O ATOM 86 OD2 ASP A 6 91.773 -10.398 -1.923 1.00 0.00 O1- ATOM 0 H ASP A 6 95.210 -7.107 -2.231 1.00 0.00 H new ATOM 0 HA ASP A 6 95.131 -10.094 -2.696 1.00 0.00 H new ATOM 0 HB2 ASP A 6 93.026 -7.882 -2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.900 -9.383 -3.889 1.00 0.00 H new ATOM 91 N PRO A 7 95.632 -9.808 -5.122 1.00 0.00 N ATOM 92 CA PRO A 7 96.193 -9.614 -6.475 1.00 0.00 C ATOM 93 C PRO A 7 95.089 -9.293 -7.496 1.00 0.00 C ATOM 94 O PRO A 7 95.337 -9.257 -8.687 1.00 0.00 O ATOM 95 CB PRO A 7 96.843 -10.960 -6.783 1.00 0.00 C ATOM 96 CG PRO A 7 96.115 -11.968 -5.941 1.00 0.00 C ATOM 97 CD PRO A 7 95.390 -11.231 -4.837 1.00 0.00 C ATOM 0 HA PRO A 7 96.891 -8.778 -6.527 1.00 0.00 H new ATOM 0 HB2 PRO A 7 96.759 -11.202 -7.843 1.00 0.00 H new ATOM 0 HB3 PRO A 7 97.906 -10.945 -6.543 1.00 0.00 H new ATOM 0 HG2 PRO A 7 95.407 -12.531 -6.550 1.00 0.00 H new ATOM 0 HG3 PRO A 7 96.816 -12.688 -5.520 1.00 0.00 H new ATOM 0 HD2 PRO A 7 94.324 -11.461 -4.840 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.773 -11.510 -3.856 1.00 0.00 H new ATOM 105 N ILE A 8 93.876 -9.049 -7.046 1.00 0.00 N ATOM 106 CA ILE A 8 92.773 -8.721 -8.003 1.00 0.00 C ATOM 107 C ILE A 8 92.686 -7.213 -8.246 1.00 0.00 C ATOM 108 O ILE A 8 91.868 -6.763 -9.018 1.00 0.00 O ATOM 109 CB ILE A 8 91.480 -9.230 -7.363 1.00 0.00 C ATOM 110 CG1 ILE A 8 91.287 -8.590 -5.977 1.00 0.00 C ATOM 111 CG2 ILE A 8 91.551 -10.749 -7.232 1.00 0.00 C ATOM 112 CD1 ILE A 8 89.861 -8.049 -5.854 1.00 0.00 C ATOM 0 H ILE A 8 93.607 -9.063 -6.062 1.00 0.00 H new ATOM 0 HA ILE A 8 92.951 -9.188 -8.972 1.00 0.00 H new ATOM 0 HB ILE A 8 90.632 -8.957 -7.992 1.00 0.00 H new ATOM 0 HG12 ILE A 8 91.476 -9.327 -5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 8 92.006 -7.783 -5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 8 90.632 -11.118 -6.776 1.00 0.00 H new ATOM 0 HG22 ILE A 8 91.671 -11.194 -8.220 1.00 0.00 H new ATOM 0 HG23 ILE A 8 92.401 -11.021 -6.606 1.00 0.00 H new ATOM 0 HD11 ILE A 8 89.727 -7.596 -4.872 1.00 0.00 H new ATOM 0 HD12 ILE A 8 89.689 -7.299 -6.626 1.00 0.00 H new ATOM 0 HD13 ILE A 8 89.150 -8.866 -5.977 1.00 0.00 H new ATOM 124 N TYR A 9 93.529 -6.429 -7.626 1.00 0.00 N ATOM 125 CA TYR A 9 93.496 -4.960 -7.874 1.00 0.00 C ATOM 126 C TYR A 9 94.819 -4.516 -8.490 1.00 0.00 C ATOM 127 O TYR A 9 95.573 -3.748 -7.932 1.00 0.00 O ATOM 128 CB TYR A 9 93.235 -4.264 -6.542 1.00 0.00 C ATOM 129 CG TYR A 9 91.805 -4.470 -6.103 1.00 0.00 C ATOM 130 CD1 TYR A 9 90.749 -4.231 -6.993 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.537 -4.892 -4.797 1.00 0.00 C ATOM 132 CE1 TYR A 9 89.427 -4.416 -6.576 1.00 0.00 C ATOM 133 CE2 TYR A 9 90.215 -5.077 -4.378 1.00 0.00 C ATOM 134 CZ TYR A 9 89.159 -4.841 -5.265 1.00 0.00 C ATOM 135 OH TYR A 9 87.854 -5.029 -4.845 1.00 0.00 O ATOM 0 H TYR A 9 94.236 -6.742 -6.961 1.00 0.00 H new ATOM 0 HA TYR A 9 92.704 -4.697 -8.575 1.00 0.00 H new ATOM 0 HB2 TYR A 9 93.913 -4.654 -5.783 1.00 0.00 H new ATOM 0 HB3 TYR A 9 93.442 -3.198 -6.636 1.00 0.00 H new ATOM 0 HD1 TYR A 9 90.956 -3.904 -8.001 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.351 -5.075 -4.111 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.613 -4.232 -7.262 1.00 0.00 H new ATOM 0 HE2 TYR A 9 90.009 -5.402 -3.369 1.00 0.00 H new ATOM 0 HH TYR A 9 87.839 -5.168 -3.875 1.00 0.00 H new ATOM 145 N ALA A 10 95.045 -4.973 -9.690 1.00 0.00 N ATOM 146 CA ALA A 10 96.254 -4.583 -10.467 1.00 0.00 C ATOM 147 C ALA A 10 95.843 -3.527 -11.493 1.00 0.00 C ATOM 148 O ALA A 10 94.681 -3.201 -11.640 1.00 0.00 O ATOM 149 CB ALA A 10 96.764 -5.857 -11.142 1.00 0.00 C ATOM 0 H ALA A 10 94.424 -5.619 -10.177 1.00 0.00 H new ATOM 0 HA ALA A 10 97.041 -4.157 -9.845 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.654 -5.627 -11.728 1.00 0.00 H new ATOM 0 HB2 ALA A 10 97.011 -6.598 -10.382 1.00 0.00 H new ATOM 0 HB3 ALA A 10 95.991 -6.256 -11.798 1.00 0.00 H new ATOM 155 N ALA A 11 96.810 -2.933 -12.135 1.00 0.00 N ATOM 156 CA ALA A 11 96.528 -1.815 -13.089 1.00 0.00 C ATOM 157 C ALA A 11 95.553 -2.194 -14.207 1.00 0.00 C ATOM 158 O ALA A 11 94.837 -1.335 -14.693 1.00 0.00 O ATOM 159 CB ALA A 11 97.887 -1.432 -13.675 1.00 0.00 C ATOM 0 H ALA A 11 97.796 -3.175 -12.041 1.00 0.00 H new ATOM 0 HA ALA A 11 96.041 -0.993 -12.563 1.00 0.00 H new ATOM 0 HB1 ALA A 11 97.760 -0.615 -14.386 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.553 -1.114 -12.873 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.319 -2.293 -14.185 1.00 0.00 H new ATOM 165 N ASP A 12 95.518 -3.428 -14.661 1.00 0.00 N ATOM 166 CA ASP A 12 94.581 -3.744 -15.787 1.00 0.00 C ATOM 167 C ASP A 12 93.194 -4.158 -15.282 1.00 0.00 C ATOM 168 O ASP A 12 92.385 -4.671 -16.032 1.00 0.00 O ATOM 169 CB ASP A 12 95.248 -4.865 -16.585 1.00 0.00 C ATOM 170 CG ASP A 12 96.359 -4.289 -17.472 1.00 0.00 C ATOM 171 OD1 ASP A 12 96.294 -3.112 -17.792 1.00 0.00 O1- ATOM 172 OD2 ASP A 12 97.255 -5.040 -17.823 1.00 0.00 O ATOM 0 H ASP A 12 96.078 -4.206 -14.313 1.00 0.00 H new ATOM 0 HA ASP A 12 94.407 -2.865 -16.407 1.00 0.00 H new ATOM 0 HB2 ASP A 12 95.663 -5.609 -15.905 1.00 0.00 H new ATOM 0 HB3 ASP A 12 94.507 -5.374 -17.201 1.00 0.00 H new ATOM 177 N LEU A 13 92.911 -3.943 -14.022 1.00 0.00 N ATOM 178 CA LEU A 13 91.576 -4.324 -13.468 1.00 0.00 C ATOM 179 C LEU A 13 90.499 -3.391 -14.009 1.00 0.00 C ATOM 180 O LEU A 13 90.530 -2.195 -13.784 1.00 0.00 O ATOM 181 CB LEU A 13 91.707 -4.151 -11.948 1.00 0.00 C ATOM 182 CG LEU A 13 90.712 -5.062 -11.213 1.00 0.00 C ATOM 183 CD1 LEU A 13 89.277 -4.734 -11.630 1.00 0.00 C ATOM 184 CD2 LEU A 13 91.013 -6.525 -11.542 1.00 0.00 C ATOM 0 H LEU A 13 93.550 -3.518 -13.350 1.00 0.00 H new ATOM 0 HA LEU A 13 91.294 -5.341 -13.742 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.724 -4.388 -11.636 1.00 0.00 H new ATOM 0 HB3 LEU A 13 91.524 -3.111 -11.678 1.00 0.00 H new ATOM 0 HG LEU A 13 90.816 -4.896 -10.141 1.00 0.00 H new ATOM 0 HD11 LEU A 13 88.585 -5.389 -11.100 1.00 0.00 H new ATOM 0 HD12 LEU A 13 89.055 -3.696 -11.384 1.00 0.00 H new ATOM 0 HD13 LEU A 13 89.167 -4.884 -12.704 1.00 0.00 H new ATOM 0 HD21 LEU A 13 90.306 -7.169 -11.019 1.00 0.00 H new ATOM 0 HD22 LEU A 13 90.921 -6.683 -12.617 1.00 0.00 H new ATOM 0 HD23 LEU A 13 92.027 -6.768 -11.225 1.00 0.00 H new ATOM 196 N SER A 14 89.548 -3.934 -14.721 1.00 0.00 N ATOM 197 CA SER A 14 88.463 -3.086 -15.284 1.00 0.00 C ATOM 198 C SER A 14 87.576 -2.538 -14.162 1.00 0.00 C ATOM 199 O SER A 14 87.236 -3.229 -13.221 1.00 0.00 O ATOM 200 CB SER A 14 87.670 -3.996 -16.219 1.00 0.00 C ATOM 201 OG SER A 14 88.447 -4.270 -17.377 1.00 0.00 O ATOM 0 H SER A 14 89.477 -4.929 -14.936 1.00 0.00 H new ATOM 0 HA SER A 14 88.858 -2.221 -15.817 1.00 0.00 H new ATOM 0 HB2 SER A 14 87.414 -4.925 -15.710 1.00 0.00 H new ATOM 0 HB3 SER A 14 86.732 -3.518 -16.501 1.00 0.00 H new ATOM 0 HG SER A 14 87.942 -4.855 -17.979 1.00 0.00 H new ATOM 207 N MET A 15 87.222 -1.291 -14.266 1.00 0.00 N ATOM 208 CA MET A 15 86.368 -0.636 -13.223 1.00 0.00 C ATOM 209 C MET A 15 84.984 -1.295 -13.106 1.00 0.00 C ATOM 210 O MET A 15 84.296 -1.117 -12.118 1.00 0.00 O ATOM 211 CB MET A 15 86.210 0.813 -13.691 1.00 0.00 C ATOM 212 CG MET A 15 87.453 1.617 -13.311 1.00 0.00 C ATOM 213 SD MET A 15 87.260 2.246 -11.626 1.00 0.00 S ATOM 214 CE MET A 15 88.968 2.004 -11.088 1.00 0.00 C ATOM 0 H MET A 15 87.489 -0.682 -15.040 1.00 0.00 H new ATOM 0 HA MET A 15 86.829 -0.722 -12.239 1.00 0.00 H new ATOM 0 HB2 MET A 15 86.062 0.842 -14.771 1.00 0.00 H new ATOM 0 HB3 MET A 15 85.325 1.257 -13.236 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.342 0.989 -13.378 1.00 0.00 H new ATOM 0 HG3 MET A 15 87.593 2.444 -14.007 1.00 0.00 H new ATOM 0 HE1 MET A 15 88.981 1.413 -10.172 1.00 0.00 H new ATOM 0 HE2 MET A 15 89.524 1.480 -11.866 1.00 0.00 H new ATOM 0 HE3 MET A 15 89.431 2.973 -10.901 1.00 0.00 H new ATOM 224 N GLY A 16 84.550 -2.014 -14.110 1.00 0.00 N ATOM 225 CA GLY A 16 83.189 -2.638 -14.067 1.00 0.00 C ATOM 226 C GLY A 16 83.137 -3.841 -13.121 1.00 0.00 C ATOM 227 O GLY A 16 82.066 -4.323 -12.800 1.00 0.00 O ATOM 0 H GLY A 16 85.081 -2.197 -14.962 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.459 -1.894 -13.747 1.00 0.00 H new ATOM 0 HA3 GLY A 16 82.903 -2.954 -15.070 1.00 0.00 H new ATOM 231 N SER A 17 84.261 -4.354 -12.692 1.00 0.00 N ATOM 232 CA SER A 17 84.239 -5.550 -11.795 1.00 0.00 C ATOM 233 C SER A 17 84.248 -5.161 -10.310 1.00 0.00 C ATOM 234 O SER A 17 84.100 -6.012 -9.451 1.00 0.00 O ATOM 235 CB SER A 17 85.502 -6.331 -12.149 1.00 0.00 C ATOM 236 OG SER A 17 85.259 -7.721 -11.969 1.00 0.00 O ATOM 0 H SER A 17 85.189 -3.999 -12.922 1.00 0.00 H new ATOM 0 HA SER A 17 83.329 -6.132 -11.940 1.00 0.00 H new ATOM 0 HB2 SER A 17 85.790 -6.131 -13.181 1.00 0.00 H new ATOM 0 HB3 SER A 17 86.331 -6.010 -11.518 1.00 0.00 H new ATOM 0 HG SER A 17 86.067 -8.227 -12.197 1.00 0.00 H new ATOM 242 N VAL A 18 84.428 -3.902 -9.988 1.00 0.00 N ATOM 243 CA VAL A 18 84.454 -3.499 -8.548 1.00 0.00 C ATOM 244 C VAL A 18 83.099 -2.909 -8.139 1.00 0.00 C ATOM 245 O VAL A 18 82.252 -2.657 -8.971 1.00 0.00 O ATOM 246 CB VAL A 18 85.571 -2.448 -8.452 1.00 0.00 C ATOM 247 CG1 VAL A 18 85.248 -1.245 -9.352 1.00 0.00 C ATOM 248 CG2 VAL A 18 85.712 -1.980 -7.001 1.00 0.00 C ATOM 0 H VAL A 18 84.557 -3.142 -10.656 1.00 0.00 H new ATOM 0 HA VAL A 18 84.637 -4.341 -7.880 1.00 0.00 H new ATOM 0 HB VAL A 18 86.507 -2.896 -8.784 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.047 -0.508 -9.275 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.160 -1.578 -10.386 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.307 -0.795 -9.034 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.505 -1.235 -6.934 1.00 0.00 H new ATOM 0 HG22 VAL A 18 84.772 -1.541 -6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 18 85.960 -2.831 -6.367 1.00 0.00 H new ATOM 258 N ALA A 19 82.886 -2.691 -6.861 1.00 0.00 N ATOM 259 CA ALA A 19 81.578 -2.117 -6.402 1.00 0.00 C ATOM 260 C ALA A 19 81.327 -0.777 -7.103 1.00 0.00 C ATOM 261 O ALA A 19 80.245 -0.508 -7.578 1.00 0.00 O ATOM 262 CB ALA A 19 81.727 -1.920 -4.887 1.00 0.00 C ATOM 0 H ALA A 19 83.558 -2.885 -6.119 1.00 0.00 H new ATOM 0 HA ALA A 19 80.735 -2.766 -6.636 1.00 0.00 H new ATOM 0 HB1 ALA A 19 80.805 -1.502 -4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 19 81.928 -2.881 -4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.553 -1.237 -4.688 1.00 0.00 H new ATOM 268 N CYS A 20 82.331 0.049 -7.196 1.00 0.00 N ATOM 269 CA CYS A 20 82.168 1.357 -7.897 1.00 0.00 C ATOM 270 C CYS A 20 82.269 1.108 -9.408 1.00 0.00 C ATOM 271 O CYS A 20 83.332 1.235 -9.988 1.00 0.00 O ATOM 272 CB CYS A 20 83.343 2.220 -7.406 1.00 0.00 C ATOM 273 SG CYS A 20 82.721 3.749 -6.663 1.00 0.00 S ATOM 0 H CYS A 20 83.262 -0.124 -6.816 1.00 0.00 H new ATOM 0 HA CYS A 20 81.213 1.843 -7.698 1.00 0.00 H new ATOM 0 HB2 CYS A 20 83.932 1.665 -6.676 1.00 0.00 H new ATOM 0 HB3 CYS A 20 84.006 2.454 -8.239 1.00 0.00 H new ATOM 278 N SER A 21 81.187 0.709 -10.044 1.00 0.00 N ATOM 279 CA SER A 21 81.261 0.405 -11.510 1.00 0.00 C ATOM 280 C SER A 21 80.869 1.605 -12.380 1.00 0.00 C ATOM 281 O SER A 21 81.728 2.282 -12.917 1.00 0.00 O ATOM 282 CB SER A 21 80.290 -0.757 -11.730 1.00 0.00 C ATOM 283 OG SER A 21 80.953 -1.983 -11.450 1.00 0.00 O ATOM 0 H SER A 21 80.270 0.583 -9.617 1.00 0.00 H new ATOM 0 HA SER A 21 82.283 0.159 -11.800 1.00 0.00 H new ATOM 0 HB2 SER A 21 79.419 -0.645 -11.084 1.00 0.00 H new ATOM 0 HB3 SER A 21 79.927 -0.753 -12.758 1.00 0.00 H new ATOM 0 HG SER A 21 81.297 -1.967 -10.533 1.00 0.00 H new ATOM 289 N ASN A 22 79.592 1.862 -12.554 1.00 0.00 N ATOM 290 CA ASN A 22 79.183 3.007 -13.427 1.00 0.00 C ATOM 291 C ASN A 22 77.980 3.771 -12.868 1.00 0.00 C ATOM 292 O ASN A 22 77.388 4.583 -13.555 1.00 0.00 O ATOM 293 CB ASN A 22 78.812 2.361 -14.758 1.00 0.00 C ATOM 294 CG ASN A 22 78.949 3.390 -15.881 1.00 0.00 C ATOM 295 OD1 ASN A 22 79.996 3.982 -16.053 1.00 0.00 O ATOM 296 ND2 ASN A 22 77.929 3.631 -16.657 1.00 0.00 N ATOM 0 H ASN A 22 78.826 1.335 -12.135 1.00 0.00 H new ATOM 0 HA ASN A 22 79.986 3.740 -13.508 1.00 0.00 H new ATOM 0 HB2 ASN A 22 79.460 1.506 -14.953 1.00 0.00 H new ATOM 0 HB3 ASN A 22 77.790 1.984 -14.719 1.00 0.00 H new ATOM 0 HD21 ASN A 22 78.010 4.316 -17.408 1.00 0.00 H new ATOM 0 HD22 ASN A 22 77.050 3.134 -16.513 1.00 0.00 H new ATOM 303 N GLY A 23 77.609 3.521 -11.644 1.00 0.00 N ATOM 304 CA GLY A 23 76.438 4.237 -11.054 1.00 0.00 C ATOM 305 C GLY A 23 76.803 5.701 -10.819 1.00 0.00 C ATOM 306 O GLY A 23 77.579 6.287 -11.549 1.00 0.00 O ATOM 0 H GLY A 23 78.065 2.852 -11.024 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.581 4.168 -11.723 1.00 0.00 H new ATOM 0 HA3 GLY A 23 76.147 3.768 -10.114 1.00 0.00 H new ATOM 310 N ASP A 24 76.267 6.279 -9.779 1.00 0.00 N ATOM 311 CA ASP A 24 76.592 7.699 -9.443 1.00 0.00 C ATOM 312 C ASP A 24 78.040 7.786 -8.972 1.00 0.00 C ATOM 313 O ASP A 24 78.753 8.715 -9.301 1.00 0.00 O ATOM 314 CB ASP A 24 75.640 8.066 -8.299 1.00 0.00 C ATOM 315 CG ASP A 24 74.203 8.165 -8.820 1.00 0.00 C ATOM 316 OD1 ASP A 24 74.033 8.409 -10.004 1.00 0.00 O1- ATOM 317 OD2 ASP A 24 73.294 8.001 -8.023 1.00 0.00 O ATOM 0 H ASP A 24 75.612 5.826 -9.141 1.00 0.00 H new ATOM 0 HA ASP A 24 76.478 8.369 -10.295 1.00 0.00 H new ATOM 0 HB2 ASP A 24 75.698 7.314 -7.512 1.00 0.00 H new ATOM 0 HB3 ASP A 24 75.941 9.016 -7.856 1.00 0.00 H new ATOM 322 N HIS A 25 78.475 6.828 -8.201 1.00 0.00 N ATOM 323 CA HIS A 25 79.881 6.845 -7.695 1.00 0.00 C ATOM 324 C HIS A 25 80.809 6.083 -8.648 1.00 0.00 C ATOM 325 O HIS A 25 81.992 5.968 -8.396 1.00 0.00 O ATOM 326 CB HIS A 25 79.842 6.131 -6.341 1.00 0.00 C ATOM 327 CG HIS A 25 78.790 6.739 -5.453 1.00 0.00 C ATOM 328 ND1 HIS A 25 78.836 8.058 -5.033 1.00 0.00 N ATOM 329 CD2 HIS A 25 77.652 6.209 -4.909 1.00 0.00 C ATOM 330 CE1 HIS A 25 77.750 8.276 -4.268 1.00 0.00 C ATOM 331 NE2 HIS A 25 76.993 7.179 -4.160 1.00 0.00 N ATOM 0 H HIS A 25 77.917 6.030 -7.897 1.00 0.00 H new ATOM 0 HA HIS A 25 80.259 7.864 -7.616 1.00 0.00 H new ATOM 0 HB2 HIS A 25 79.634 5.071 -6.488 1.00 0.00 H new ATOM 0 HB3 HIS A 25 80.817 6.200 -5.859 1.00 0.00 H new ATOM 0 HD2 HIS A 25 77.316 5.191 -5.041 1.00 0.00 H new ATOM 0 HE1 HIS A 25 77.519 9.221 -3.799 1.00 0.00 H new ATOM 0 HE2 HIS A 25 76.121 7.076 -3.641 1.00 0.00 H new ATOM 339 N GLY A 26 80.292 5.555 -9.739 1.00 0.00 N ATOM 340 CA GLY A 26 81.159 4.792 -10.691 1.00 0.00 C ATOM 341 C GLY A 26 82.359 5.637 -11.111 1.00 0.00 C ATOM 342 O GLY A 26 82.228 6.785 -11.492 1.00 0.00 O ATOM 0 H GLY A 26 79.310 5.621 -10.007 1.00 0.00 H new ATOM 0 HA2 GLY A 26 81.502 3.870 -10.222 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.581 4.507 -11.570 1.00 0.00 H new ATOM 346 N LEU A 27 83.520 5.054 -11.059 1.00 0.00 N ATOM 347 CA LEU A 27 84.755 5.781 -11.467 1.00 0.00 C ATOM 348 C LEU A 27 85.144 5.399 -12.906 1.00 0.00 C ATOM 349 O LEU A 27 86.069 5.950 -13.467 1.00 0.00 O ATOM 350 CB LEU A 27 85.824 5.317 -10.476 1.00 0.00 C ATOM 351 CG LEU A 27 85.457 5.783 -9.064 1.00 0.00 C ATOM 352 CD1 LEU A 27 86.385 5.109 -8.049 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.611 7.307 -8.964 1.00 0.00 C ATOM 0 H LEU A 27 83.670 4.094 -10.748 1.00 0.00 H new ATOM 0 HA LEU A 27 84.627 6.863 -11.453 1.00 0.00 H new ATOM 0 HB2 LEU A 27 85.909 4.231 -10.500 1.00 0.00 H new ATOM 0 HB3 LEU A 27 86.796 5.719 -10.761 1.00 0.00 H new ATOM 0 HG LEU A 27 84.423 5.511 -8.852 1.00 0.00 H new ATOM 0 HD11 LEU A 27 86.125 5.439 -7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 27 86.273 4.027 -8.116 1.00 0.00 H new ATOM 0 HD13 LEU A 27 87.418 5.380 -8.265 1.00 0.00 H new ATOM 0 HD21 LEU A 27 85.349 7.634 -7.958 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.644 7.583 -9.178 1.00 0.00 H new ATOM 0 HD23 LEU A 27 84.950 7.788 -9.685 1.00 0.00 H new ATOM 365 N MET A 28 84.447 4.456 -13.503 1.00 0.00 N ATOM 366 CA MET A 28 84.777 4.032 -14.898 1.00 0.00 C ATOM 367 C MET A 28 84.579 5.184 -15.891 1.00 0.00 C ATOM 368 O MET A 28 85.320 5.321 -16.846 1.00 0.00 O ATOM 369 CB MET A 28 83.808 2.889 -15.221 1.00 0.00 C ATOM 370 CG MET A 28 84.141 2.317 -16.601 1.00 0.00 C ATOM 371 SD MET A 28 82.876 1.116 -17.085 1.00 0.00 S ATOM 372 CE MET A 28 83.343 -0.189 -15.923 1.00 0.00 C ATOM 0 H MET A 28 83.662 3.963 -13.079 1.00 0.00 H new ATOM 0 HA MET A 28 85.820 3.725 -14.978 1.00 0.00 H new ATOM 0 HB2 MET A 28 83.883 2.109 -14.464 1.00 0.00 H new ATOM 0 HB3 MET A 28 82.780 3.252 -15.204 1.00 0.00 H new ATOM 0 HG2 MET A 28 84.193 3.121 -17.336 1.00 0.00 H new ATOM 0 HG3 MET A 28 85.121 1.840 -16.581 1.00 0.00 H new ATOM 0 HE1 MET A 28 82.960 -1.146 -16.277 1.00 0.00 H new ATOM 0 HE2 MET A 28 84.429 -0.238 -15.849 1.00 0.00 H new ATOM 0 HE3 MET A 28 82.922 0.030 -14.942 1.00 0.00 H new ATOM 382 N ALA A 29 83.562 5.985 -15.693 1.00 0.00 N ATOM 383 CA ALA A 29 83.278 7.109 -16.648 1.00 0.00 C ATOM 384 C ALA A 29 84.533 7.948 -16.925 1.00 0.00 C ATOM 385 O ALA A 29 85.126 7.851 -17.984 1.00 0.00 O ATOM 386 CB ALA A 29 82.210 7.956 -15.959 1.00 0.00 C ATOM 0 H ALA A 29 82.912 5.912 -14.910 1.00 0.00 H new ATOM 0 HA ALA A 29 82.949 6.732 -17.617 1.00 0.00 H new ATOM 0 HB1 ALA A 29 81.948 8.800 -16.596 1.00 0.00 H new ATOM 0 HB2 ALA A 29 81.323 7.348 -15.780 1.00 0.00 H new ATOM 0 HB3 ALA A 29 82.595 8.325 -15.008 1.00 0.00 H new ATOM 392 N GLN A 30 84.949 8.760 -15.985 1.00 0.00 N ATOM 393 CA GLN A 30 86.175 9.591 -16.200 1.00 0.00 C ATOM 394 C GLN A 30 87.410 8.694 -16.204 1.00 0.00 C ATOM 395 O GLN A 30 88.332 8.885 -16.974 1.00 0.00 O ATOM 396 CB GLN A 30 86.221 10.551 -15.015 1.00 0.00 C ATOM 397 CG GLN A 30 85.090 11.562 -15.153 1.00 0.00 C ATOM 398 CD GLN A 30 85.001 12.413 -13.886 1.00 0.00 C ATOM 399 OE1 GLN A 30 83.925 12.638 -13.365 1.00 0.00 O ATOM 400 NE2 GLN A 30 86.092 12.901 -13.361 1.00 0.00 N ATOM 0 H GLN A 30 84.495 8.884 -15.080 1.00 0.00 H new ATOM 0 HA GLN A 30 86.154 10.123 -17.151 1.00 0.00 H new ATOM 0 HB2 GLN A 30 86.122 10.000 -14.080 1.00 0.00 H new ATOM 0 HB3 GLN A 30 87.182 11.063 -14.982 1.00 0.00 H new ATOM 0 HG2 GLN A 30 85.264 12.200 -16.020 1.00 0.00 H new ATOM 0 HG3 GLN A 30 84.146 11.045 -15.322 1.00 0.00 H new ATOM 0 HE21 GLN A 30 86.995 12.714 -13.796 1.00 0.00 H new ATOM 0 HE22 GLN A 30 86.041 13.470 -12.516 1.00 0.00 H new ATOM 409 N TYR A 31 87.429 7.726 -15.329 1.00 0.00 N ATOM 410 CA TYR A 31 88.599 6.808 -15.237 1.00 0.00 C ATOM 411 C TYR A 31 88.141 5.363 -15.500 1.00 0.00 C ATOM 412 O TYR A 31 87.851 4.639 -14.569 1.00 0.00 O ATOM 413 CB TYR A 31 89.117 6.943 -13.796 1.00 0.00 C ATOM 414 CG TYR A 31 89.315 8.402 -13.439 1.00 0.00 C ATOM 415 CD1 TYR A 31 90.525 9.042 -13.732 1.00 0.00 C ATOM 416 CD2 TYR A 31 88.281 9.112 -12.816 1.00 0.00 C ATOM 417 CE1 TYR A 31 90.701 10.391 -13.399 1.00 0.00 C ATOM 418 CE2 TYR A 31 88.456 10.460 -12.484 1.00 0.00 C ATOM 419 CZ TYR A 31 89.667 11.099 -12.776 1.00 0.00 C ATOM 420 OH TYR A 31 89.841 12.428 -12.448 1.00 0.00 O ATOM 0 H TYR A 31 86.677 7.530 -14.668 1.00 0.00 H new ATOM 0 HA TYR A 31 89.371 7.052 -15.967 1.00 0.00 H new ATOM 0 HB2 TYR A 31 88.409 6.486 -13.104 1.00 0.00 H new ATOM 0 HB3 TYR A 31 90.059 6.405 -13.690 1.00 0.00 H new ATOM 0 HD1 TYR A 31 91.322 8.496 -14.214 1.00 0.00 H new ATOM 0 HD2 TYR A 31 87.347 8.618 -12.591 1.00 0.00 H new ATOM 0 HE1 TYR A 31 91.635 10.885 -13.623 1.00 0.00 H new ATOM 0 HE2 TYR A 31 87.658 11.007 -12.003 1.00 0.00 H new ATOM 0 HH TYR A 31 89.027 12.769 -12.023 1.00 0.00 H new ATOM 430 N PRO A 32 88.079 4.981 -16.758 1.00 0.00 N ATOM 431 CA PRO A 32 87.632 3.606 -17.097 1.00 0.00 C ATOM 432 C PRO A 32 88.639 2.556 -16.603 1.00 0.00 C ATOM 433 O PRO A 32 88.344 1.375 -16.587 1.00 0.00 O ATOM 434 CB PRO A 32 87.532 3.621 -18.621 1.00 0.00 C ATOM 435 CG PRO A 32 88.448 4.717 -19.053 1.00 0.00 C ATOM 436 CD PRO A 32 88.416 5.756 -17.964 1.00 0.00 C ATOM 0 HA PRO A 32 86.688 3.339 -16.622 1.00 0.00 H new ATOM 0 HB2 PRO A 32 87.833 2.664 -19.046 1.00 0.00 H new ATOM 0 HB3 PRO A 32 86.509 3.808 -18.948 1.00 0.00 H new ATOM 0 HG2 PRO A 32 89.460 4.341 -19.200 1.00 0.00 H new ATOM 0 HG3 PRO A 32 88.124 5.141 -20.003 1.00 0.00 H new ATOM 0 HD2 PRO A 32 89.377 6.260 -17.862 1.00 0.00 H new ATOM 0 HD3 PRO A 32 87.672 6.527 -18.166 1.00 0.00 H new ATOM 444 N THR A 33 89.818 2.969 -16.197 1.00 0.00 N ATOM 445 CA THR A 33 90.827 1.984 -15.702 1.00 0.00 C ATOM 446 C THR A 33 91.377 2.423 -14.341 1.00 0.00 C ATOM 447 O THR A 33 91.501 3.599 -14.057 1.00 0.00 O ATOM 448 CB THR A 33 91.933 1.988 -16.753 1.00 0.00 C ATOM 449 OG1 THR A 33 91.357 1.882 -18.047 1.00 0.00 O ATOM 450 CG2 THR A 33 92.861 0.798 -16.508 1.00 0.00 C ATOM 0 H THR A 33 90.122 3.943 -16.188 1.00 0.00 H new ATOM 0 HA THR A 33 90.399 0.991 -15.564 1.00 0.00 H new ATOM 0 HB THR A 33 92.501 2.916 -16.686 1.00 0.00 H new ATOM 0 HG1 THR A 33 92.067 1.886 -18.722 1.00 0.00 H new ATOM 0 HG21 THR A 33 93.654 0.795 -17.256 1.00 0.00 H new ATOM 0 HG22 THR A 33 93.300 0.878 -15.514 1.00 0.00 H new ATOM 0 HG23 THR A 33 92.291 -0.128 -16.579 1.00 0.00 H new ATOM 458 N LEU A 34 91.702 1.475 -13.501 1.00 0.00 N ATOM 459 CA LEU A 34 92.243 1.807 -12.144 1.00 0.00 C ATOM 460 C LEU A 34 93.678 2.334 -12.245 1.00 0.00 C ATOM 461 O LEU A 34 94.564 1.642 -12.711 1.00 0.00 O ATOM 462 CB LEU A 34 92.224 0.472 -11.385 1.00 0.00 C ATOM 463 CG LEU A 34 92.768 0.655 -9.962 1.00 0.00 C ATOM 464 CD1 LEU A 34 91.787 1.484 -9.129 1.00 0.00 C ATOM 465 CD2 LEU A 34 92.946 -0.718 -9.310 1.00 0.00 C ATOM 0 H LEU A 34 91.616 0.477 -13.696 1.00 0.00 H new ATOM 0 HA LEU A 34 91.659 2.582 -11.648 1.00 0.00 H new ATOM 0 HB2 LEU A 34 91.206 0.084 -11.344 1.00 0.00 H new ATOM 0 HB3 LEU A 34 92.825 -0.265 -11.918 1.00 0.00 H new ATOM 0 HG LEU A 34 93.726 1.173 -10.009 1.00 0.00 H new ATOM 0 HD11 LEU A 34 92.181 1.609 -8.120 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.654 2.463 -9.590 1.00 0.00 H new ATOM 0 HD13 LEU A 34 90.826 0.972 -9.082 1.00 0.00 H new ATOM 0 HD21 LEU A 34 93.332 -0.593 -8.298 1.00 0.00 H new ATOM 0 HD22 LEU A 34 91.984 -1.229 -9.270 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.648 -1.311 -9.896 1.00 0.00 H new ATOM 477 N GLY A 35 93.916 3.541 -11.805 1.00 0.00 N ATOM 478 CA GLY A 35 95.301 4.102 -11.868 1.00 0.00 C ATOM 479 C GLY A 35 95.256 5.629 -11.996 1.00 0.00 C ATOM 480 O GLY A 35 96.101 6.221 -12.643 1.00 0.00 O ATOM 0 H GLY A 35 93.214 4.163 -11.405 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.854 3.822 -10.971 1.00 0.00 H new ATOM 0 HA3 GLY A 35 95.834 3.675 -12.718 1.00 0.00 H new ATOM 484 N GLU A 36 94.289 6.273 -11.387 1.00 0.00 N ATOM 485 CA GLU A 36 94.208 7.756 -11.479 1.00 0.00 C ATOM 486 C GLU A 36 93.393 8.321 -10.314 1.00 0.00 C ATOM 487 O GLU A 36 93.824 9.237 -9.638 1.00 0.00 O ATOM 488 CB GLU A 36 93.505 8.012 -12.804 1.00 0.00 C ATOM 489 CG GLU A 36 93.795 9.443 -13.269 1.00 0.00 C ATOM 490 CD GLU A 36 95.267 9.577 -13.694 1.00 0.00 C ATOM 491 OE1 GLU A 36 95.984 8.587 -13.643 1.00 0.00 O ATOM 492 OE2 GLU A 36 95.655 10.673 -14.061 1.00 0.00 O1- ATOM 0 H GLU A 36 93.556 5.832 -10.832 1.00 0.00 H new ATOM 0 HA GLU A 36 95.186 8.234 -11.430 1.00 0.00 H new ATOM 0 HB2 GLU A 36 93.848 7.298 -13.553 1.00 0.00 H new ATOM 0 HB3 GLU A 36 92.431 7.865 -12.692 1.00 0.00 H new ATOM 0 HG2 GLU A 36 93.143 9.701 -14.104 1.00 0.00 H new ATOM 0 HG3 GLU A 36 93.576 10.146 -12.465 1.00 0.00 H new ATOM 499 N VAL A 37 92.226 7.775 -10.060 1.00 0.00 N ATOM 500 CA VAL A 37 91.396 8.279 -8.918 1.00 0.00 C ATOM 501 C VAL A 37 92.195 8.089 -7.602 1.00 0.00 C ATOM 502 O VAL A 37 92.499 9.055 -6.931 1.00 0.00 O ATOM 503 CB VAL A 37 90.092 7.449 -8.985 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.415 7.341 -7.613 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.130 8.130 -9.959 1.00 0.00 C ATOM 0 H VAL A 37 91.815 7.007 -10.590 1.00 0.00 H new ATOM 0 HA VAL A 37 91.155 9.341 -8.964 1.00 0.00 H new ATOM 0 HB VAL A 37 90.344 6.442 -9.317 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.503 6.751 -7.703 1.00 0.00 H new ATOM 0 HG12 VAL A 37 90.093 6.857 -6.910 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.167 8.338 -7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.205 7.556 -10.017 1.00 0.00 H new ATOM 0 HG22 VAL A 37 88.910 9.138 -9.608 1.00 0.00 H new ATOM 0 HG23 VAL A 37 89.588 8.181 -10.947 1.00 0.00 H new ATOM 515 N PRO A 38 92.549 6.857 -7.297 1.00 0.00 N ATOM 516 CA PRO A 38 93.362 6.584 -6.082 1.00 0.00 C ATOM 517 C PRO A 38 94.816 6.983 -6.345 1.00 0.00 C ATOM 518 O PRO A 38 95.558 7.339 -5.451 1.00 0.00 O ATOM 519 CB PRO A 38 93.282 5.067 -5.928 1.00 0.00 C ATOM 520 CG PRO A 38 93.011 4.552 -7.300 1.00 0.00 C ATOM 521 CD PRO A 38 92.236 5.616 -8.028 1.00 0.00 C ATOM 0 HA PRO A 38 93.015 7.128 -5.203 1.00 0.00 H new ATOM 0 HB2 PRO A 38 94.213 4.661 -5.531 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.489 4.782 -5.236 1.00 0.00 H new ATOM 0 HG2 PRO A 38 93.943 4.331 -7.820 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.443 3.623 -7.257 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.537 5.683 -9.073 1.00 0.00 H new ATOM 0 HD3 PRO A 38 91.166 5.407 -8.017 1.00 0.00 H new ATOM 529 N GLY A 39 95.221 6.886 -7.582 1.00 0.00 N ATOM 530 CA GLY A 39 96.620 7.203 -7.972 1.00 0.00 C ATOM 531 C GLY A 39 97.136 6.015 -8.778 1.00 0.00 C ATOM 532 O GLY A 39 97.408 6.123 -9.956 1.00 0.00 O ATOM 0 H GLY A 39 94.624 6.593 -8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 39 96.658 8.117 -8.564 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.239 7.369 -7.090 1.00 0.00 H new ATOM 536 N PHE A 40 97.207 4.866 -8.132 1.00 0.00 N ATOM 537 CA PHE A 40 97.638 3.572 -8.781 1.00 0.00 C ATOM 538 C PHE A 40 97.971 2.512 -7.688 1.00 0.00 C ATOM 539 O PHE A 40 97.214 1.577 -7.521 1.00 0.00 O ATOM 540 CB PHE A 40 98.830 3.870 -9.737 1.00 0.00 C ATOM 541 CG PHE A 40 99.593 2.600 -10.097 1.00 0.00 C ATOM 542 CD1 PHE A 40 98.901 1.395 -10.301 1.00 0.00 C ATOM 543 CD2 PHE A 40 100.986 2.635 -10.237 1.00 0.00 C ATOM 544 CE1 PHE A 40 99.600 0.232 -10.641 1.00 0.00 C ATOM 545 CE2 PHE A 40 101.685 1.469 -10.580 1.00 0.00 C ATOM 546 CZ PHE A 40 100.991 0.268 -10.781 1.00 0.00 C ATOM 0 H PHE A 40 96.975 4.769 -7.144 1.00 0.00 H new ATOM 0 HA PHE A 40 96.834 3.145 -9.380 1.00 0.00 H new ATOM 0 HB2 PHE A 40 98.458 4.342 -10.647 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.508 4.580 -9.264 1.00 0.00 H new ATOM 0 HD1 PHE A 40 97.827 1.366 -10.195 1.00 0.00 H new ATOM 0 HD2 PHE A 40 101.522 3.560 -10.081 1.00 0.00 H new ATOM 0 HE1 PHE A 40 99.065 -0.694 -10.795 1.00 0.00 H new ATOM 0 HE2 PHE A 40 102.759 1.496 -10.689 1.00 0.00 H new ATOM 0 HZ PHE A 40 101.531 -0.630 -11.044 1.00 0.00 H new ATOM 556 N PRO A 41 99.084 2.664 -6.976 1.00 0.00 N ATOM 557 CA PRO A 41 99.442 1.666 -5.926 1.00 0.00 C ATOM 558 C PRO A 41 98.643 1.894 -4.634 1.00 0.00 C ATOM 559 O PRO A 41 98.549 1.017 -3.796 1.00 0.00 O ATOM 560 CB PRO A 41 100.913 1.945 -5.649 1.00 0.00 C ATOM 561 CG PRO A 41 101.108 3.383 -6.005 1.00 0.00 C ATOM 562 CD PRO A 41 100.099 3.728 -7.067 1.00 0.00 C ATOM 0 HA PRO A 41 99.232 0.647 -6.251 1.00 0.00 H new ATOM 0 HB2 PRO A 41 101.160 1.760 -4.603 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.556 1.300 -6.247 1.00 0.00 H new ATOM 0 HG2 PRO A 41 100.973 4.016 -5.128 1.00 0.00 H new ATOM 0 HG3 PRO A 41 102.121 3.554 -6.369 1.00 0.00 H new ATOM 0 HD2 PRO A 41 99.660 4.710 -6.892 1.00 0.00 H new ATOM 0 HD3 PRO A 41 100.558 3.755 -8.056 1.00 0.00 H new ATOM 570 N ASN A 42 98.089 3.066 -4.460 1.00 0.00 N ATOM 571 CA ASN A 42 97.322 3.363 -3.219 1.00 0.00 C ATOM 572 C ASN A 42 95.844 3.084 -3.450 1.00 0.00 C ATOM 573 O ASN A 42 94.992 3.935 -3.259 1.00 0.00 O ATOM 574 CB ASN A 42 97.565 4.847 -2.957 1.00 0.00 C ATOM 575 CG ASN A 42 98.829 5.019 -2.104 1.00 0.00 C ATOM 576 OD1 ASN A 42 99.330 4.070 -1.534 1.00 0.00 O ATOM 577 ND2 ASN A 42 99.369 6.201 -1.990 1.00 0.00 N ATOM 0 H ASN A 42 98.137 3.833 -5.130 1.00 0.00 H new ATOM 0 HA ASN A 42 97.631 2.750 -2.372 1.00 0.00 H new ATOM 0 HB2 ASN A 42 97.676 5.380 -3.901 1.00 0.00 H new ATOM 0 HB3 ASN A 42 96.707 5.282 -2.445 1.00 0.00 H new ATOM 0 HD21 ASN A 42 100.208 6.326 -1.424 1.00 0.00 H new ATOM 0 HD22 ASN A 42 98.952 7.000 -2.467 1.00 0.00 H new ATOM 584 N VAL A 43 95.546 1.887 -3.859 1.00 0.00 N ATOM 585 CA VAL A 43 94.139 1.500 -4.115 1.00 0.00 C ATOM 586 C VAL A 43 93.747 0.348 -3.192 1.00 0.00 C ATOM 587 O VAL A 43 94.447 -0.652 -3.087 1.00 0.00 O ATOM 588 CB VAL A 43 94.106 1.084 -5.593 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.933 -0.189 -5.823 1.00 0.00 C ATOM 590 CG2 VAL A 43 92.654 0.842 -6.004 1.00 0.00 C ATOM 0 H VAL A 43 96.230 1.150 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 43 93.431 2.305 -3.920 1.00 0.00 H new ATOM 0 HB VAL A 43 94.540 1.881 -6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.894 -0.463 -6.877 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.968 -0.008 -5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 43 94.525 -1.001 -5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 43 92.617 0.546 -7.052 1.00 0.00 H new ATOM 0 HG22 VAL A 43 92.229 0.050 -5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 43 92.079 1.758 -5.865 1.00 0.00 H new ATOM 600 N GLY A 44 92.643 0.494 -2.512 1.00 0.00 N ATOM 601 CA GLY A 44 92.199 -0.574 -1.577 1.00 0.00 C ATOM 602 C GLY A 44 90.717 -0.432 -1.237 1.00 0.00 C ATOM 603 O GLY A 44 90.096 0.578 -1.503 1.00 0.00 O ATOM 0 H GLY A 44 92.030 1.308 -2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.380 -1.551 -2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.790 -0.529 -0.662 1.00 0.00 H new ATOM 607 N GLY A 45 90.159 -1.451 -0.629 1.00 0.00 N ATOM 608 CA GLY A 45 88.721 -1.416 -0.241 1.00 0.00 C ATOM 609 C GLY A 45 88.592 -0.878 1.183 1.00 0.00 C ATOM 610 O GLY A 45 89.557 -0.823 1.925 1.00 0.00 O ATOM 0 H GLY A 45 90.647 -2.313 -0.384 1.00 0.00 H new ATOM 0 HA2 GLY A 45 88.162 -0.785 -0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.292 -2.416 -0.304 1.00 0.00 H new ATOM 614 N ILE A 46 87.402 -0.498 1.570 1.00 0.00 N ATOM 615 CA ILE A 46 87.178 0.038 2.950 1.00 0.00 C ATOM 616 C ILE A 46 85.801 -0.429 3.475 1.00 0.00 C ATOM 617 O ILE A 46 85.001 -0.938 2.719 1.00 0.00 O ATOM 618 CB ILE A 46 87.257 1.567 2.815 1.00 0.00 C ATOM 619 CG1 ILE A 46 86.338 2.044 1.692 1.00 0.00 C ATOM 620 CG2 ILE A 46 88.697 1.975 2.494 1.00 0.00 C ATOM 621 CD1 ILE A 46 86.000 3.521 1.897 1.00 0.00 C ATOM 0 H ILE A 46 86.567 -0.536 0.985 1.00 0.00 H new ATOM 0 HA ILE A 46 87.916 -0.320 3.667 1.00 0.00 H new ATOM 0 HB ILE A 46 86.942 2.023 3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 46 86.824 1.902 0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 46 85.424 1.450 1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 46 88.755 3.059 2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 46 89.356 1.646 3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 46 89.007 1.511 1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 46 85.344 3.859 1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 46 85.497 3.649 2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 46 86.918 4.109 1.888 1.00 0.00 H new ATOM 633 N PRO A 47 85.581 -0.284 4.768 1.00 0.00 N ATOM 634 CA PRO A 47 84.309 -0.759 5.389 1.00 0.00 C ATOM 635 C PRO A 47 83.125 0.175 5.124 1.00 0.00 C ATOM 636 O PRO A 47 81.998 -0.164 5.435 1.00 0.00 O ATOM 637 CB PRO A 47 84.623 -0.746 6.881 1.00 0.00 C ATOM 638 CG PRO A 47 85.693 0.281 7.047 1.00 0.00 C ATOM 639 CD PRO A 47 86.473 0.335 5.767 1.00 0.00 C ATOM 0 HA PRO A 47 84.015 -1.728 4.986 1.00 0.00 H new ATOM 0 HB2 PRO A 47 83.740 -0.492 7.467 1.00 0.00 H new ATOM 0 HB3 PRO A 47 84.961 -1.725 7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 47 85.258 1.255 7.271 1.00 0.00 H new ATOM 0 HG3 PRO A 47 86.345 0.023 7.882 1.00 0.00 H new ATOM 0 HD2 PRO A 47 86.722 1.361 5.496 1.00 0.00 H new ATOM 0 HD3 PRO A 47 87.414 -0.209 5.851 1.00 0.00 H new ATOM 647 N ASP A 48 83.355 1.348 4.598 1.00 0.00 N ATOM 648 CA ASP A 48 82.216 2.290 4.373 1.00 0.00 C ATOM 649 C ASP A 48 81.673 2.199 2.945 1.00 0.00 C ATOM 650 O ASP A 48 80.945 3.072 2.510 1.00 0.00 O ATOM 651 CB ASP A 48 82.786 3.681 4.648 1.00 0.00 C ATOM 652 CG ASP A 48 83.071 3.843 6.145 1.00 0.00 C ATOM 653 OD1 ASP A 48 82.414 3.183 6.935 1.00 0.00 O1- ATOM 654 OD2 ASP A 48 83.944 4.629 6.477 1.00 0.00 O ATOM 0 H ASP A 48 84.272 1.694 4.316 1.00 0.00 H new ATOM 0 HA ASP A 48 81.374 2.052 5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 48 83.703 3.827 4.077 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.081 4.444 4.319 1.00 0.00 H new ATOM 659 N ILE A 49 81.985 1.153 2.217 1.00 0.00 N ATOM 660 CA ILE A 49 81.445 1.031 0.830 1.00 0.00 C ATOM 661 C ILE A 49 80.396 -0.094 0.791 1.00 0.00 C ATOM 662 O ILE A 49 80.674 -1.225 1.139 1.00 0.00 O ATOM 663 CB ILE A 49 82.682 0.735 -0.029 1.00 0.00 C ATOM 664 CG1 ILE A 49 83.559 1.994 -0.045 1.00 0.00 C ATOM 665 CG2 ILE A 49 82.287 0.356 -1.465 1.00 0.00 C ATOM 666 CD1 ILE A 49 84.831 1.742 -0.862 1.00 0.00 C ATOM 0 H ILE A 49 82.585 0.386 2.522 1.00 0.00 H new ATOM 0 HA ILE A 49 80.932 1.921 0.467 1.00 0.00 H new ATOM 0 HB ILE A 49 83.224 -0.110 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 49 83.003 2.828 -0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 49 83.823 2.276 0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 49 83.185 0.152 -2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.657 -0.533 -1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 49 81.738 1.180 -1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 49 85.445 2.642 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 49 85.393 0.921 -0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 49 84.561 1.483 -1.886 1.00 0.00 H new ATOM 678 N ALA A 50 79.181 0.225 0.405 1.00 0.00 N ATOM 679 CA ALA A 50 78.090 -0.805 0.381 1.00 0.00 C ATOM 680 C ALA A 50 78.191 -1.759 -0.809 1.00 0.00 C ATOM 681 O ALA A 50 77.986 -2.950 -0.649 1.00 0.00 O ATOM 682 CB ALA A 50 76.788 -0.006 0.311 1.00 0.00 C ATOM 0 H ALA A 50 78.897 1.158 0.105 1.00 0.00 H new ATOM 0 HA ALA A 50 78.154 -1.443 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 50 75.941 -0.692 0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 50 76.710 0.640 1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.783 0.604 -0.592 1.00 0.00 H new ATOM 688 N GLY A 51 78.486 -1.278 -1.991 1.00 0.00 N ATOM 689 CA GLY A 51 78.567 -2.221 -3.146 1.00 0.00 C ATOM 690 C GLY A 51 78.576 -1.485 -4.488 1.00 0.00 C ATOM 691 O GLY A 51 79.323 -0.550 -4.704 1.00 0.00 O ATOM 0 H GLY A 51 78.670 -0.297 -2.203 1.00 0.00 H new ATOM 0 HA2 GLY A 51 79.470 -2.825 -3.058 1.00 0.00 H new ATOM 0 HA3 GLY A 51 77.720 -2.907 -3.114 1.00 0.00 H new ATOM 695 N TRP A 52 77.759 -1.945 -5.404 1.00 0.00 N ATOM 696 CA TRP A 52 77.683 -1.356 -6.782 1.00 0.00 C ATOM 697 C TRP A 52 77.662 0.178 -6.784 1.00 0.00 C ATOM 698 O TRP A 52 78.137 0.799 -7.722 1.00 0.00 O ATOM 699 CB TRP A 52 76.372 -1.882 -7.374 1.00 0.00 C ATOM 700 CG TRP A 52 76.340 -1.536 -8.831 1.00 0.00 C ATOM 701 CD1 TRP A 52 77.065 -2.156 -9.790 1.00 0.00 C ATOM 702 CD2 TRP A 52 75.575 -0.494 -9.507 1.00 0.00 C ATOM 703 NE1 TRP A 52 76.800 -1.559 -11.009 1.00 0.00 N ATOM 704 CE2 TRP A 52 75.886 -0.532 -10.888 1.00 0.00 C ATOM 705 CE3 TRP A 52 74.651 0.470 -9.062 1.00 0.00 C ATOM 706 CZ2 TRP A 52 75.304 0.356 -11.794 1.00 0.00 C ATOM 707 CZ3 TRP A 52 74.062 1.364 -9.973 1.00 0.00 C ATOM 708 CH2 TRP A 52 74.389 1.308 -11.336 1.00 0.00 C ATOM 0 H TRP A 52 77.123 -2.727 -5.250 1.00 0.00 H new ATOM 0 HA TRP A 52 78.566 -1.641 -7.354 1.00 0.00 H new ATOM 0 HB2 TRP A 52 76.301 -2.961 -7.239 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.519 -1.439 -6.860 1.00 0.00 H new ATOM 0 HD1 TRP A 52 77.741 -2.983 -9.630 1.00 0.00 H new ATOM 0 HE1 TRP A 52 77.228 -1.843 -11.890 1.00 0.00 H new ATOM 0 HE3 TRP A 52 74.393 0.523 -8.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 75.559 0.308 -12.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 73.353 2.099 -9.621 1.00 0.00 H new ATOM 0 HH2 TRP A 52 73.934 1.999 -12.030 1.00 0.00 H new ATOM 719 N ASP A 53 77.115 0.794 -5.766 1.00 0.00 N ATOM 720 CA ASP A 53 77.058 2.285 -5.736 1.00 0.00 C ATOM 721 C ASP A 53 77.261 2.792 -4.304 1.00 0.00 C ATOM 722 O ASP A 53 76.383 3.390 -3.714 1.00 0.00 O ATOM 723 CB ASP A 53 75.654 2.624 -6.245 1.00 0.00 C ATOM 724 CG ASP A 53 75.456 4.141 -6.269 1.00 0.00 C ATOM 725 OD1 ASP A 53 75.816 4.751 -7.261 1.00 0.00 O ATOM 726 OD2 ASP A 53 74.945 4.668 -5.293 1.00 0.00 O1- ATOM 0 H ASP A 53 76.706 0.328 -4.956 1.00 0.00 H new ATOM 0 HA ASP A 53 77.835 2.750 -6.342 1.00 0.00 H new ATOM 0 HB2 ASP A 53 75.513 2.215 -7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 53 74.904 2.162 -5.603 1.00 0.00 H new ATOM 731 N SER A 54 78.412 2.534 -3.746 1.00 0.00 N ATOM 732 CA SER A 54 78.693 2.971 -2.341 1.00 0.00 C ATOM 733 C SER A 54 78.742 4.505 -2.237 1.00 0.00 C ATOM 734 O SER A 54 79.339 5.150 -3.074 1.00 0.00 O ATOM 735 CB SER A 54 80.062 2.386 -2.018 1.00 0.00 C ATOM 736 OG SER A 54 80.947 2.659 -3.096 1.00 0.00 O ATOM 0 H SER A 54 79.177 2.037 -4.202 1.00 0.00 H new ATOM 0 HA SER A 54 77.917 2.635 -1.653 1.00 0.00 H new ATOM 0 HB2 SER A 54 80.448 2.818 -1.095 1.00 0.00 H new ATOM 0 HB3 SER A 54 79.984 1.311 -1.858 1.00 0.00 H new ATOM 0 HG SER A 54 81.104 1.837 -3.606 1.00 0.00 H new ATOM 742 N PRO A 55 78.123 5.050 -1.207 1.00 0.00 N ATOM 743 CA PRO A 55 78.122 6.523 -1.026 1.00 0.00 C ATOM 744 C PRO A 55 79.495 7.023 -0.556 1.00 0.00 C ATOM 745 O PRO A 55 79.821 8.187 -0.708 1.00 0.00 O ATOM 746 CB PRO A 55 77.067 6.757 0.051 1.00 0.00 C ATOM 747 CG PRO A 55 77.004 5.476 0.819 1.00 0.00 C ATOM 748 CD PRO A 55 77.380 4.369 -0.130 1.00 0.00 C ATOM 0 HA PRO A 55 77.910 7.057 -1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.341 7.591 0.697 1.00 0.00 H new ATOM 0 HB3 PRO A 55 76.100 7.000 -0.390 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.686 5.503 1.669 1.00 0.00 H new ATOM 0 HG3 PRO A 55 76.003 5.316 1.219 1.00 0.00 H new ATOM 0 HD2 PRO A 55 77.994 3.615 0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 55 76.497 3.859 -0.516 1.00 0.00 H new ATOM 756 N SER A 56 80.297 6.158 0.020 1.00 0.00 N ATOM 757 CA SER A 56 81.643 6.589 0.507 1.00 0.00 C ATOM 758 C SER A 56 82.732 6.275 -0.529 1.00 0.00 C ATOM 759 O SER A 56 83.908 6.340 -0.230 1.00 0.00 O ATOM 760 CB SER A 56 81.884 5.786 1.782 1.00 0.00 C ATOM 761 OG SER A 56 80.768 5.933 2.651 1.00 0.00 O ATOM 0 H SER A 56 80.076 5.174 0.173 1.00 0.00 H new ATOM 0 HA SER A 56 81.678 7.664 0.681 1.00 0.00 H new ATOM 0 HB2 SER A 56 82.034 4.734 1.539 1.00 0.00 H new ATOM 0 HB3 SER A 56 82.792 6.132 2.276 1.00 0.00 H new ATOM 0 HG SER A 56 80.434 5.048 2.907 1.00 0.00 H new ATOM 767 N CYS A 57 82.358 5.926 -1.736 1.00 0.00 N ATOM 768 CA CYS A 57 83.387 5.610 -2.773 1.00 0.00 C ATOM 769 C CYS A 57 84.174 6.877 -3.123 1.00 0.00 C ATOM 770 O CYS A 57 83.628 7.964 -3.161 1.00 0.00 O ATOM 771 CB CYS A 57 82.597 5.107 -3.982 1.00 0.00 C ATOM 772 SG CYS A 57 83.500 3.769 -4.800 1.00 0.00 S ATOM 0 H CYS A 57 81.389 5.847 -2.046 1.00 0.00 H new ATOM 0 HA CYS A 57 84.110 4.868 -2.433 1.00 0.00 H new ATOM 0 HB2 CYS A 57 81.616 4.753 -3.664 1.00 0.00 H new ATOM 0 HB3 CYS A 57 82.429 5.925 -4.683 1.00 0.00 H new ATOM 777 N GLY A 58 85.451 6.742 -3.380 1.00 0.00 N ATOM 778 CA GLY A 58 86.279 7.932 -3.728 1.00 0.00 C ATOM 779 C GLY A 58 86.665 8.689 -2.455 1.00 0.00 C ATOM 780 O GLY A 58 86.931 9.875 -2.491 1.00 0.00 O ATOM 0 H GLY A 58 85.955 5.855 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 58 87.176 7.618 -4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 58 85.724 8.589 -4.398 1.00 0.00 H new ATOM 784 N THR A 59 86.705 8.012 -1.333 1.00 0.00 N ATOM 785 CA THR A 59 87.085 8.695 -0.061 1.00 0.00 C ATOM 786 C THR A 59 88.503 8.278 0.351 1.00 0.00 C ATOM 787 O THR A 59 88.892 7.130 0.249 1.00 0.00 O ATOM 788 CB THR A 59 86.034 8.266 0.976 1.00 0.00 C ATOM 789 OG1 THR A 59 84.782 8.841 0.629 1.00 0.00 O ATOM 790 CG2 THR A 59 86.432 8.755 2.375 1.00 0.00 C ATOM 0 H THR A 59 86.491 7.019 -1.245 1.00 0.00 H new ATOM 0 HA THR A 59 87.100 9.780 -0.159 1.00 0.00 H new ATOM 0 HB THR A 59 85.967 7.178 0.984 1.00 0.00 H new ATOM 0 HG1 THR A 59 84.212 8.159 0.216 1.00 0.00 H new ATOM 0 HG21 THR A 59 85.678 8.443 3.098 1.00 0.00 H new ATOM 0 HG22 THR A 59 87.396 8.327 2.649 1.00 0.00 H new ATOM 0 HG23 THR A 59 86.505 9.843 2.373 1.00 0.00 H new ATOM 798 N CYS A 60 89.272 9.233 0.785 1.00 0.00 N ATOM 799 CA CYS A 60 90.685 8.963 1.183 1.00 0.00 C ATOM 800 C CYS A 60 90.779 8.379 2.593 1.00 0.00 C ATOM 801 O CYS A 60 90.219 8.909 3.534 1.00 0.00 O ATOM 802 CB CYS A 60 91.366 10.332 1.140 1.00 0.00 C ATOM 803 SG CYS A 60 92.269 10.507 -0.415 1.00 0.00 S ATOM 0 H CYS A 60 88.980 10.205 0.884 1.00 0.00 H new ATOM 0 HA CYS A 60 91.149 8.231 0.522 1.00 0.00 H new ATOM 0 HB2 CYS A 60 90.622 11.123 1.232 1.00 0.00 H new ATOM 0 HB3 CYS A 60 92.049 10.437 1.983 1.00 0.00 H new ATOM 808 N TRP A 61 91.517 7.311 2.743 1.00 0.00 N ATOM 809 CA TRP A 61 91.698 6.694 4.087 1.00 0.00 C ATOM 810 C TRP A 61 93.190 6.462 4.337 1.00 0.00 C ATOM 811 O TRP A 61 93.912 6.040 3.452 1.00 0.00 O ATOM 812 CB TRP A 61 90.949 5.364 4.030 1.00 0.00 C ATOM 813 CG TRP A 61 89.485 5.613 4.198 1.00 0.00 C ATOM 814 CD1 TRP A 61 88.574 5.603 3.198 1.00 0.00 C ATOM 815 CD2 TRP A 61 88.750 5.912 5.419 1.00 0.00 C ATOM 816 NE1 TRP A 61 87.327 5.876 3.728 1.00 0.00 N ATOM 817 CE2 TRP A 61 87.383 6.073 5.094 1.00 0.00 C ATOM 818 CE3 TRP A 61 89.134 6.056 6.767 1.00 0.00 C ATOM 819 CZ2 TRP A 61 86.429 6.368 6.069 1.00 0.00 C ATOM 820 CZ3 TRP A 61 88.176 6.353 7.749 1.00 0.00 C ATOM 821 CH2 TRP A 61 86.827 6.509 7.401 1.00 0.00 C ATOM 0 H TRP A 61 92.006 6.837 1.984 1.00 0.00 H new ATOM 0 HA TRP A 61 91.321 7.325 4.892 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.138 4.868 3.078 1.00 0.00 H new ATOM 0 HB3 TRP A 61 91.308 4.697 4.814 1.00 0.00 H new ATOM 0 HD1 TRP A 61 88.786 5.413 2.156 1.00 0.00 H new ATOM 0 HE1 TRP A 61 86.470 5.926 3.177 1.00 0.00 H new ATOM 0 HE3 TRP A 61 90.171 5.937 7.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 85.391 6.486 5.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 88.480 6.462 8.780 1.00 0.00 H new ATOM 0 HH2 TRP A 61 86.096 6.738 8.162 1.00 0.00 H new ATOM 832 N LYS A 62 93.661 6.731 5.527 1.00 0.00 N ATOM 833 CA LYS A 62 95.109 6.521 5.828 1.00 0.00 C ATOM 834 C LYS A 62 95.271 5.297 6.731 1.00 0.00 C ATOM 835 O LYS A 62 94.532 5.123 7.683 1.00 0.00 O ATOM 836 CB LYS A 62 95.554 7.789 6.562 1.00 0.00 C ATOM 837 CG LYS A 62 97.041 7.685 6.912 1.00 0.00 C ATOM 838 CD LYS A 62 97.456 8.898 7.745 1.00 0.00 C ATOM 839 CE LYS A 62 98.936 8.783 8.115 1.00 0.00 C ATOM 840 NZ LYS A 62 99.315 10.140 8.601 1.00 0.00 N1+ ATOM 0 H LYS A 62 93.105 7.087 6.304 1.00 0.00 H new ATOM 0 HA LYS A 62 95.702 6.347 4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 62 95.378 8.664 5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 62 94.965 7.922 7.469 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.231 6.767 7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 62 97.637 7.635 6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 62 97.281 9.815 7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 62 96.848 8.957 8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 62 99.093 8.029 8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 62 99.537 8.489 7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 100.318 10.143 8.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 99.161 10.836 7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 98.731 10.390 9.424 1.00 0.00 H new ATOM 854 N VAL A 63 96.224 4.449 6.439 1.00 0.00 N ATOM 855 CA VAL A 63 96.423 3.236 7.286 1.00 0.00 C ATOM 856 C VAL A 63 97.744 3.340 8.057 1.00 0.00 C ATOM 857 O VAL A 63 98.787 3.607 7.486 1.00 0.00 O ATOM 858 CB VAL A 63 96.445 2.054 6.312 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.616 0.750 7.095 1.00 0.00 C ATOM 860 CG2 VAL A 63 95.127 2.005 5.534 1.00 0.00 C ATOM 0 H VAL A 63 96.869 4.544 5.655 1.00 0.00 H new ATOM 0 HA VAL A 63 95.634 3.121 8.030 1.00 0.00 H new ATOM 0 HB VAL A 63 97.275 2.176 5.617 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.632 -0.091 6.402 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.553 0.780 7.651 1.00 0.00 H new ATOM 0 HG13 VAL A 63 95.785 0.632 7.791 1.00 0.00 H new ATOM 0 HG21 VAL A 63 95.144 1.163 4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.297 1.885 6.231 1.00 0.00 H new ATOM 0 HG23 VAL A 63 95.000 2.932 4.975 1.00 0.00 H new ATOM 870 N THR A 64 97.690 3.157 9.353 1.00 0.00 N ATOM 871 CA THR A 64 98.913 3.261 10.209 1.00 0.00 C ATOM 872 C THR A 64 99.177 1.937 10.938 1.00 0.00 C ATOM 873 O THR A 64 98.261 1.295 11.420 1.00 0.00 O ATOM 874 CB THR A 64 98.565 4.356 11.226 1.00 0.00 C ATOM 875 OG1 THR A 64 98.294 5.569 10.538 1.00 0.00 O ATOM 876 CG2 THR A 64 99.737 4.567 12.191 1.00 0.00 C ATOM 0 H THR A 64 96.835 2.936 9.863 1.00 0.00 H new ATOM 0 HA THR A 64 99.808 3.485 9.628 1.00 0.00 H new ATOM 0 HB THR A 64 97.686 4.051 11.794 1.00 0.00 H new ATOM 0 HG1 THR A 64 98.070 6.269 11.186 1.00 0.00 H new ATOM 0 HG21 THR A 64 99.481 5.346 12.909 1.00 0.00 H new ATOM 0 HG22 THR A 64 99.943 3.638 12.722 1.00 0.00 H new ATOM 0 HG23 THR A 64 100.621 4.868 11.629 1.00 0.00 H new ATOM 884 N ILE A 65 100.421 1.525 11.026 1.00 0.00 N ATOM 885 CA ILE A 65 100.736 0.239 11.731 1.00 0.00 C ATOM 886 C ILE A 65 101.638 0.500 12.959 1.00 0.00 C ATOM 887 O ILE A 65 102.208 1.566 13.084 1.00 0.00 O ATOM 888 CB ILE A 65 101.443 -0.631 10.680 1.00 0.00 C ATOM 889 CG1 ILE A 65 102.713 0.076 10.196 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.505 -0.868 9.492 1.00 0.00 C ATOM 891 CD1 ILE A 65 103.596 -0.927 9.451 1.00 0.00 C ATOM 0 H ILE A 65 101.227 2.019 10.643 1.00 0.00 H new ATOM 0 HA ILE A 65 99.843 -0.254 12.116 1.00 0.00 H new ATOM 0 HB ILE A 65 101.710 -1.589 11.127 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.453 0.907 9.540 1.00 0.00 H new ATOM 0 HG13 ILE A 65 103.255 0.496 11.043 1.00 0.00 H new ATOM 0 HG21 ILE A 65 101.009 -1.485 8.748 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.604 -1.376 9.835 1.00 0.00 H new ATOM 0 HG23 ILE A 65 100.234 0.089 9.046 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.501 -0.428 9.105 1.00 0.00 H new ATOM 0 HD12 ILE A 65 103.865 -1.743 10.122 1.00 0.00 H new ATOM 0 HD13 ILE A 65 103.051 -1.326 8.595 1.00 0.00 H new ATOM 903 N PRO A 66 101.715 -0.480 13.847 1.00 0.00 N ATOM 904 CA PRO A 66 102.531 -0.339 15.095 1.00 0.00 C ATOM 905 C PRO A 66 104.021 -0.122 14.806 1.00 0.00 C ATOM 906 O PRO A 66 104.742 0.414 15.627 1.00 0.00 O ATOM 907 CB PRO A 66 102.309 -1.674 15.812 1.00 0.00 C ATOM 908 CG PRO A 66 101.914 -2.618 14.732 1.00 0.00 C ATOM 909 CD PRO A 66 101.077 -1.808 13.787 1.00 0.00 C ATOM 0 HA PRO A 66 102.233 0.531 15.680 1.00 0.00 H new ATOM 0 HB2 PRO A 66 103.215 -2.007 16.319 1.00 0.00 H new ATOM 0 HB3 PRO A 66 101.531 -1.592 16.571 1.00 0.00 H new ATOM 0 HG2 PRO A 66 102.789 -3.029 14.229 1.00 0.00 H new ATOM 0 HG3 PRO A 66 101.351 -3.461 15.133 1.00 0.00 H new ATOM 0 HD2 PRO A 66 101.092 -2.220 12.778 1.00 0.00 H new ATOM 0 HD3 PRO A 66 100.034 -1.771 14.100 1.00 0.00 H new ATOM 917 N ASN A 67 104.486 -0.528 13.654 1.00 0.00 N ATOM 918 CA ASN A 67 105.934 -0.339 13.319 1.00 0.00 C ATOM 919 C ASN A 67 106.242 1.153 13.187 1.00 0.00 C ATOM 920 O ASN A 67 107.274 1.632 13.619 1.00 0.00 O ATOM 921 CB ASN A 67 106.133 -1.048 11.979 1.00 0.00 C ATOM 922 CG ASN A 67 106.024 -2.561 12.180 1.00 0.00 C ATOM 923 OD1 ASN A 67 106.269 -3.063 13.260 1.00 0.00 O ATOM 924 ND2 ASN A 67 105.662 -3.314 11.177 1.00 0.00 N ATOM 0 H ASN A 67 103.929 -0.982 12.930 1.00 0.00 H new ATOM 0 HA ASN A 67 106.594 -0.740 14.088 1.00 0.00 H new ATOM 0 HB2 ASN A 67 105.384 -0.711 11.263 1.00 0.00 H new ATOM 0 HB3 ASN A 67 107.108 -0.795 11.563 1.00 0.00 H new ATOM 0 HD21 ASN A 67 105.585 -4.324 11.299 1.00 0.00 H new ATOM 0 HD22 ASN A 67 105.456 -2.893 10.271 1.00 0.00 H new ATOM 931 N GLY A 68 105.339 1.877 12.590 1.00 0.00 N ATOM 932 CA GLY A 68 105.541 3.344 12.415 1.00 0.00 C ATOM 933 C GLY A 68 105.624 3.674 10.929 1.00 0.00 C ATOM 934 O GLY A 68 106.585 4.256 10.465 1.00 0.00 O ATOM 0 H GLY A 68 104.463 1.515 12.213 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.718 3.892 12.874 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.455 3.658 12.919 1.00 0.00 H new ATOM 938 N ASN A 69 104.607 3.326 10.190 1.00 0.00 N ATOM 939 CA ASN A 69 104.582 3.627 8.733 1.00 0.00 C ATOM 940 C ASN A 69 103.133 3.801 8.293 1.00 0.00 C ATOM 941 O ASN A 69 102.238 3.184 8.847 1.00 0.00 O ATOM 942 CB ASN A 69 105.201 2.409 8.043 1.00 0.00 C ATOM 943 CG ASN A 69 106.723 2.435 8.183 1.00 0.00 C ATOM 944 OD1 ASN A 69 107.325 3.489 8.236 1.00 0.00 O ATOM 945 ND2 ASN A 69 107.375 1.306 8.237 1.00 0.00 N ATOM 0 H ASN A 69 103.782 2.839 10.540 1.00 0.00 H new ATOM 0 HA ASN A 69 105.127 4.538 8.486 1.00 0.00 H new ATOM 0 HB2 ASN A 69 104.804 1.494 8.482 1.00 0.00 H new ATOM 0 HB3 ASN A 69 104.926 2.402 6.988 1.00 0.00 H new ATOM 0 HD21 ASN A 69 108.391 1.308 8.324 1.00 0.00 H new ATOM 0 HD22 ASN A 69 106.868 0.422 8.192 1.00 0.00 H new ATOM 952 N SER A 70 102.887 4.631 7.315 1.00 0.00 N ATOM 953 CA SER A 70 101.486 4.833 6.859 1.00 0.00 C ATOM 954 C SER A 70 101.431 5.210 5.381 1.00 0.00 C ATOM 955 O SER A 70 102.372 5.729 4.815 1.00 0.00 O ATOM 956 CB SER A 70 100.941 5.965 7.728 1.00 0.00 C ATOM 957 OG SER A 70 101.728 7.132 7.529 1.00 0.00 O ATOM 0 H SER A 70 103.592 5.174 6.816 1.00 0.00 H new ATOM 0 HA SER A 70 100.898 3.921 6.958 1.00 0.00 H new ATOM 0 HB2 SER A 70 99.901 6.166 7.472 1.00 0.00 H new ATOM 0 HB3 SER A 70 100.961 5.674 8.778 1.00 0.00 H new ATOM 0 HG SER A 70 101.484 7.808 8.195 1.00 0.00 H new ATOM 963 N ILE A 71 100.314 4.947 4.767 1.00 0.00 N ATOM 964 CA ILE A 71 100.122 5.271 3.323 1.00 0.00 C ATOM 965 C ILE A 71 98.713 5.820 3.118 1.00 0.00 C ATOM 966 O ILE A 71 97.862 5.663 3.975 1.00 0.00 O ATOM 967 CB ILE A 71 100.301 3.943 2.576 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.297 2.903 3.079 1.00 0.00 C ATOM 969 CG2 ILE A 71 101.720 3.420 2.793 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.332 1.685 2.154 1.00 0.00 C ATOM 0 H ILE A 71 99.507 4.511 5.213 1.00 0.00 H new ATOM 0 HA ILE A 71 100.826 6.022 2.963 1.00 0.00 H new ATOM 0 HB ILE A 71 100.128 4.116 1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 71 99.541 2.607 4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.294 3.329 3.102 1.00 0.00 H new ATOM 0 HG21 ILE A 71 101.845 2.477 2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 71 102.438 4.148 2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 71 101.891 3.262 3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 71 98.619 0.940 2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.068 1.990 1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 71 100.334 1.257 2.154 1.00 0.00 H new ATOM 982 N PHE A 72 98.443 6.454 1.998 1.00 0.00 N ATOM 983 CA PHE A 72 97.066 6.991 1.781 1.00 0.00 C ATOM 984 C PHE A 72 96.374 6.152 0.706 1.00 0.00 C ATOM 985 O PHE A 72 96.914 5.960 -0.364 1.00 0.00 O ATOM 986 CB PHE A 72 97.260 8.432 1.304 1.00 0.00 C ATOM 987 CG PHE A 72 97.997 9.221 2.359 1.00 0.00 C ATOM 988 CD1 PHE A 72 97.313 9.686 3.488 1.00 0.00 C ATOM 989 CD2 PHE A 72 99.363 9.490 2.206 1.00 0.00 C ATOM 990 CE1 PHE A 72 97.996 10.417 4.468 1.00 0.00 C ATOM 991 CE2 PHE A 72 100.046 10.221 3.186 1.00 0.00 C ATOM 992 CZ PHE A 72 99.362 10.684 4.317 1.00 0.00 C ATOM 0 H PHE A 72 99.105 6.619 1.240 1.00 0.00 H new ATOM 0 HA PHE A 72 96.450 6.956 2.680 1.00 0.00 H new ATOM 0 HB2 PHE A 72 97.821 8.444 0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 72 96.293 8.892 1.101 1.00 0.00 H new ATOM 0 HD1 PHE A 72 96.259 9.481 3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 72 99.889 9.134 1.333 1.00 0.00 H new ATOM 0 HE1 PHE A 72 97.469 10.775 5.340 1.00 0.00 H new ATOM 0 HE2 PHE A 72 101.100 10.428 3.070 1.00 0.00 H new ATOM 0 HZ PHE A 72 99.889 11.247 5.073 1.00 0.00 H new ATOM 1002 N ILE A 73 95.208 5.634 0.984 1.00 0.00 N ATOM 1003 CA ILE A 73 94.514 4.782 -0.033 1.00 0.00 C ATOM 1004 C ILE A 73 93.073 5.252 -0.239 1.00 0.00 C ATOM 1005 O ILE A 73 92.392 5.614 0.702 1.00 0.00 O ATOM 1006 CB ILE A 73 94.580 3.358 0.528 1.00 0.00 C ATOM 1007 CG1 ILE A 73 96.055 2.960 0.687 1.00 0.00 C ATOM 1008 CG2 ILE A 73 93.889 2.385 -0.437 1.00 0.00 C ATOM 1009 CD1 ILE A 73 96.172 1.652 1.470 1.00 0.00 C ATOM 0 H ILE A 73 94.707 5.761 1.863 1.00 0.00 H new ATOM 0 HA ILE A 73 94.984 4.839 -1.015 1.00 0.00 H new ATOM 0 HB ILE A 73 94.075 3.319 1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 73 96.516 2.846 -0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 73 96.598 3.751 1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 73 93.939 1.374 -0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.846 2.675 -0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 73 94.391 2.414 -1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 73 97.223 1.383 1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.730 1.779 2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 73 95.646 0.860 0.936 1.00 0.00 H new ATOM 1021 N ARG A 74 92.607 5.254 -1.463 1.00 0.00 N ATOM 1022 CA ARG A 74 91.214 5.707 -1.731 1.00 0.00 C ATOM 1023 C ARG A 74 90.287 4.497 -1.845 1.00 0.00 C ATOM 1024 O ARG A 74 90.637 3.479 -2.412 1.00 0.00 O ATOM 1025 CB ARG A 74 91.300 6.484 -3.046 1.00 0.00 C ATOM 1026 CG ARG A 74 89.915 6.981 -3.461 1.00 0.00 C ATOM 1027 CD ARG A 74 90.061 7.944 -4.641 1.00 0.00 C ATOM 1028 NE ARG A 74 90.344 9.264 -4.014 1.00 0.00 N ATOM 1029 CZ ARG A 74 91.073 10.143 -4.645 1.00 0.00 C ATOM 1030 NH1 ARG A 74 90.508 11.008 -5.442 1.00 0.00 N ATOM 1031 NH2 ARG A 74 92.368 10.160 -4.479 1.00 0.00 N1+ ATOM 0 H ARG A 74 93.133 4.961 -2.286 1.00 0.00 H new ATOM 0 HA ARG A 74 90.807 6.329 -0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 74 91.978 7.330 -2.933 1.00 0.00 H new ATOM 0 HB3 ARG A 74 91.714 5.846 -3.827 1.00 0.00 H new ATOM 0 HG2 ARG A 74 89.281 6.139 -3.739 1.00 0.00 H new ATOM 0 HG3 ARG A 74 89.429 7.483 -2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 74 90.870 7.638 -5.305 1.00 0.00 H new ATOM 0 HD3 ARG A 74 89.152 7.977 -5.241 1.00 0.00 H new ATOM 0 HE ARG A 74 89.968 9.481 -3.091 1.00 0.00 H new ATOM 0 HH11 ARG A 74 89.496 10.997 -5.572 1.00 0.00 H new ATOM 0 HH12 ARG A 74 91.078 11.695 -5.935 1.00 0.00 H new ATOM 0 HH21 ARG A 74 92.811 9.485 -3.855 1.00 0.00 H new ATOM 0 HH22 ARG A 74 92.937 10.848 -4.973 1.00 0.00 H new ATOM 1045 N GLY A 75 89.108 4.606 -1.288 1.00 0.00 N ATOM 1046 CA GLY A 75 88.140 3.474 -1.330 1.00 0.00 C ATOM 1047 C GLY A 75 87.815 3.113 -2.778 1.00 0.00 C ATOM 1048 O GLY A 75 87.835 3.951 -3.660 1.00 0.00 O ATOM 0 H GLY A 75 88.774 5.438 -0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.559 2.608 -0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 75 87.227 3.747 -0.802 1.00 0.00 H new ATOM 1052 N VAL A 76 87.508 1.870 -3.020 1.00 0.00 N ATOM 1053 CA VAL A 76 87.162 1.405 -4.396 1.00 0.00 C ATOM 1054 C VAL A 76 86.159 0.229 -4.318 1.00 0.00 C ATOM 1055 O VAL A 76 85.236 0.142 -5.104 1.00 0.00 O ATOM 1056 CB VAL A 76 88.502 0.965 -5.016 1.00 0.00 C ATOM 1057 CG1 VAL A 76 89.060 -0.264 -4.287 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.292 0.631 -6.498 1.00 0.00 C ATOM 0 H VAL A 76 87.481 1.140 -2.308 1.00 0.00 H new ATOM 0 HA VAL A 76 86.684 2.179 -4.997 1.00 0.00 H new ATOM 0 HB VAL A 76 89.218 1.781 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 76 90.006 -0.558 -4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 76 89.221 -0.022 -3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 76 88.349 -1.087 -4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.239 0.319 -6.939 1.00 0.00 H new ATOM 0 HG22 VAL A 76 87.566 -0.177 -6.590 1.00 0.00 H new ATOM 0 HG23 VAL A 76 87.921 1.513 -7.021 1.00 0.00 H new ATOM 1068 N ASP A 77 86.335 -0.665 -3.374 1.00 0.00 N ATOM 1069 CA ASP A 77 85.411 -1.832 -3.218 1.00 0.00 C ATOM 1070 C ASP A 77 84.929 -1.945 -1.767 1.00 0.00 C ATOM 1071 O ASP A 77 85.431 -1.288 -0.877 1.00 0.00 O ATOM 1072 CB ASP A 77 86.241 -3.054 -3.595 1.00 0.00 C ATOM 1073 CG ASP A 77 85.314 -4.263 -3.742 1.00 0.00 C ATOM 1074 OD1 ASP A 77 85.101 -4.945 -2.754 1.00 0.00 O ATOM 1075 OD2 ASP A 77 84.827 -4.481 -4.839 1.00 0.00 O1- ATOM 0 H ASP A 77 87.094 -0.634 -2.693 1.00 0.00 H new ATOM 0 HA ASP A 77 84.523 -1.732 -3.842 1.00 0.00 H new ATOM 0 HB2 ASP A 77 86.774 -2.873 -4.528 1.00 0.00 H new ATOM 0 HB3 ASP A 77 86.994 -3.248 -2.831 1.00 0.00 H new ATOM 1080 N SER A 78 83.933 -2.768 -1.538 1.00 0.00 N ATOM 1081 CA SER A 78 83.368 -2.932 -0.161 1.00 0.00 C ATOM 1082 C SER A 78 84.286 -3.767 0.732 1.00 0.00 C ATOM 1083 O SER A 78 85.075 -4.567 0.265 1.00 0.00 O ATOM 1084 CB SER A 78 82.034 -3.655 -0.362 1.00 0.00 C ATOM 1085 OG SER A 78 81.450 -3.921 0.906 1.00 0.00 O ATOM 0 H SER A 78 83.483 -3.339 -2.254 1.00 0.00 H new ATOM 0 HA SER A 78 83.255 -1.968 0.334 1.00 0.00 H new ATOM 0 HB2 SER A 78 81.362 -3.043 -0.964 1.00 0.00 H new ATOM 0 HB3 SER A 78 82.190 -4.586 -0.906 1.00 0.00 H new ATOM 0 HG SER A 78 81.065 -3.096 1.269 1.00 0.00 H new ATOM 1091 N GLY A 79 84.172 -3.581 2.023 1.00 0.00 N ATOM 1092 CA GLY A 79 85.011 -4.351 2.980 1.00 0.00 C ATOM 1093 C GLY A 79 84.148 -4.799 4.159 1.00 0.00 C ATOM 1094 O GLY A 79 83.423 -4.020 4.747 1.00 0.00 O ATOM 0 H GLY A 79 83.526 -2.921 2.455 1.00 0.00 H new ATOM 0 HA2 GLY A 79 85.447 -5.218 2.484 1.00 0.00 H new ATOM 0 HA3 GLY A 79 85.839 -3.736 3.333 1.00 0.00 H new ATOM 1098 N ARG A 80 84.246 -6.046 4.516 1.00 0.00 N ATOM 1099 CA ARG A 80 83.462 -6.577 5.674 1.00 0.00 C ATOM 1100 C ARG A 80 83.839 -5.814 6.954 1.00 0.00 C ATOM 1101 O ARG A 80 83.016 -5.608 7.826 1.00 0.00 O ATOM 1102 CB ARG A 80 83.883 -8.045 5.803 1.00 0.00 C ATOM 1103 CG ARG A 80 83.333 -8.852 4.624 1.00 0.00 C ATOM 1104 CD ARG A 80 83.763 -10.316 4.770 1.00 0.00 C ATOM 1105 NE ARG A 80 83.198 -11.010 3.577 1.00 0.00 N ATOM 1106 CZ ARG A 80 83.688 -12.161 3.198 1.00 0.00 C ATOM 1107 NH1 ARG A 80 83.879 -13.109 4.074 1.00 0.00 N ATOM 1108 NH2 ARG A 80 83.983 -12.363 1.943 1.00 0.00 N1+ ATOM 0 H ARG A 80 84.842 -6.732 4.052 1.00 0.00 H new ATOM 0 HA ARG A 80 82.388 -6.467 5.527 1.00 0.00 H new ATOM 0 HB2 ARG A 80 84.970 -8.119 5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 80 83.512 -8.457 6.741 1.00 0.00 H new ATOM 0 HG2 ARG A 80 82.246 -8.781 4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 80 83.704 -8.444 3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 80 84.849 -10.406 4.801 1.00 0.00 H new ATOM 0 HD3 ARG A 80 83.381 -10.748 5.695 1.00 0.00 H new ATOM 0 HE ARG A 80 82.429 -10.587 3.057 1.00 0.00 H new ATOM 0 HH11 ARG A 80 83.646 -12.952 5.055 1.00 0.00 H new ATOM 0 HH12 ARG A 80 84.261 -14.007 3.778 1.00 0.00 H new ATOM 0 HH21 ARG A 80 83.831 -11.623 1.258 1.00 0.00 H new ATOM 0 HH22 ARG A 80 84.365 -13.261 1.647 1.00 0.00 H new ATOM 1122 N GLY A 81 85.079 -5.391 7.068 1.00 0.00 N ATOM 1123 CA GLY A 81 85.507 -4.638 8.290 1.00 0.00 C ATOM 1124 C GLY A 81 87.033 -4.461 8.309 1.00 0.00 C ATOM 1125 O GLY A 81 87.738 -5.207 8.964 1.00 0.00 O ATOM 0 H GLY A 81 85.809 -5.535 6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 81 85.022 -3.662 8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 81 85.186 -5.173 9.184 1.00 0.00 H new ATOM 1129 N GLY A 82 87.545 -3.474 7.609 1.00 0.00 N ATOM 1130 CA GLY A 82 89.027 -3.249 7.608 1.00 0.00 C ATOM 1131 C GLY A 82 89.469 -2.590 6.298 1.00 0.00 C ATOM 1132 O GLY A 82 88.717 -1.885 5.662 1.00 0.00 O ATOM 0 H GLY A 82 87.005 -2.820 7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 82 89.305 -2.617 8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 82 89.545 -4.199 7.737 1.00 0.00 H new ATOM 1136 N PHE A 83 90.686 -2.830 5.886 1.00 0.00 N ATOM 1137 CA PHE A 83 91.197 -2.229 4.609 1.00 0.00 C ATOM 1138 C PHE A 83 91.968 -3.262 3.773 1.00 0.00 C ATOM 1139 O PHE A 83 92.859 -3.933 4.268 1.00 0.00 O ATOM 1140 CB PHE A 83 92.141 -1.115 5.065 1.00 0.00 C ATOM 1141 CG PHE A 83 91.343 0.010 5.679 1.00 0.00 C ATOM 1142 CD1 PHE A 83 90.879 1.056 4.873 1.00 0.00 C ATOM 1143 CD2 PHE A 83 91.066 0.008 7.052 1.00 0.00 C ATOM 1144 CE1 PHE A 83 90.138 2.100 5.439 1.00 0.00 C ATOM 1145 CE2 PHE A 83 90.324 1.052 7.618 1.00 0.00 C ATOM 1146 CZ PHE A 83 89.860 2.099 6.811 1.00 0.00 C ATOM 0 H PHE A 83 91.356 -3.420 6.380 1.00 0.00 H new ATOM 0 HA PHE A 83 90.384 -1.869 3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 83 92.855 -1.505 5.790 1.00 0.00 H new ATOM 0 HB3 PHE A 83 92.717 -0.744 4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 83 91.093 1.058 3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 83 91.425 -0.799 7.674 1.00 0.00 H new ATOM 0 HE1 PHE A 83 89.780 2.907 4.817 1.00 0.00 H new ATOM 0 HE2 PHE A 83 90.109 1.050 8.676 1.00 0.00 H new ATOM 0 HZ PHE A 83 89.288 2.905 7.247 1.00 0.00 H new ATOM 1156 N ASN A 84 91.652 -3.374 2.493 1.00 0.00 N ATOM 1157 CA ASN A 84 92.404 -4.343 1.626 1.00 0.00 C ATOM 1158 C ASN A 84 93.156 -3.551 0.566 1.00 0.00 C ATOM 1159 O ASN A 84 92.577 -2.720 -0.088 1.00 0.00 O ATOM 1160 CB ASN A 84 91.363 -5.246 0.954 1.00 0.00 C ATOM 1161 CG ASN A 84 91.932 -6.663 0.841 1.00 0.00 C ATOM 1162 OD1 ASN A 84 93.110 -6.837 0.598 1.00 0.00 O ATOM 1163 ND2 ASN A 84 91.146 -7.690 1.011 1.00 0.00 N ATOM 0 H ASN A 84 90.918 -2.844 2.023 1.00 0.00 H new ATOM 0 HA ASN A 84 93.112 -4.939 2.202 1.00 0.00 H new ATOM 0 HB2 ASN A 84 90.441 -5.256 1.536 1.00 0.00 H new ATOM 0 HB3 ASN A 84 91.112 -4.861 -0.034 1.00 0.00 H new ATOM 0 HD21 ASN A 84 91.520 -8.636 0.940 1.00 0.00 H new ATOM 0 HD22 ASN A 84 90.157 -7.547 1.215 1.00 0.00 H new ATOM 1170 N VAL A 85 94.438 -3.759 0.421 1.00 0.00 N ATOM 1171 CA VAL A 85 95.207 -2.946 -0.573 1.00 0.00 C ATOM 1172 C VAL A 85 96.060 -3.815 -1.501 1.00 0.00 C ATOM 1173 O VAL A 85 96.301 -4.977 -1.242 1.00 0.00 O ATOM 1174 CB VAL A 85 96.114 -2.050 0.285 1.00 0.00 C ATOM 1175 CG1 VAL A 85 95.259 -1.168 1.198 1.00 0.00 C ATOM 1176 CG2 VAL A 85 97.038 -2.915 1.150 1.00 0.00 C ATOM 0 H VAL A 85 94.983 -4.448 0.940 1.00 0.00 H new ATOM 0 HA VAL A 85 94.536 -2.387 -1.226 1.00 0.00 H new ATOM 0 HB VAL A 85 96.713 -1.424 -0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.907 -0.535 1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 85 94.605 -0.542 0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.655 -1.798 1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.677 -2.272 1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.438 -3.548 1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.657 -3.541 0.507 1.00 0.00 H new ATOM 1186 N ASN A 86 96.523 -3.249 -2.589 1.00 0.00 N ATOM 1187 CA ASN A 86 97.377 -4.035 -3.537 1.00 0.00 C ATOM 1188 C ASN A 86 98.574 -4.643 -2.783 1.00 0.00 C ATOM 1189 O ASN A 86 98.955 -4.143 -1.743 1.00 0.00 O ATOM 1190 CB ASN A 86 97.881 -3.017 -4.565 1.00 0.00 C ATOM 1191 CG ASN A 86 96.778 -2.688 -5.572 1.00 0.00 C ATOM 1192 OD1 ASN A 86 95.635 -3.069 -5.397 1.00 0.00 O ATOM 1193 ND2 ASN A 86 97.077 -1.988 -6.631 1.00 0.00 N ATOM 0 H ASN A 86 96.348 -2.282 -2.862 1.00 0.00 H new ATOM 0 HA ASN A 86 96.825 -4.852 -4.001 1.00 0.00 H new ATOM 0 HB2 ASN A 86 98.203 -2.107 -4.058 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.751 -3.417 -5.086 1.00 0.00 H new ATOM 0 HD21 ASN A 86 96.353 -1.760 -7.313 1.00 0.00 H new ATOM 0 HD22 ASN A 86 98.035 -1.669 -6.778 1.00 0.00 H new ATOM 1200 N PRO A 87 99.138 -5.699 -3.324 1.00 0.00 N ATOM 1201 CA PRO A 87 100.301 -6.344 -2.666 1.00 0.00 C ATOM 1202 C PRO A 87 101.514 -5.411 -2.678 1.00 0.00 C ATOM 1203 O PRO A 87 102.460 -5.629 -1.948 1.00 0.00 O ATOM 1204 CB PRO A 87 100.545 -7.602 -3.497 1.00 0.00 C ATOM 1205 CG PRO A 87 99.954 -7.291 -4.833 1.00 0.00 C ATOM 1206 CD PRO A 87 98.778 -6.383 -4.578 1.00 0.00 C ATOM 0 HA PRO A 87 100.123 -6.577 -1.616 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.609 -7.825 -3.576 1.00 0.00 H new ATOM 0 HB3 PRO A 87 100.070 -8.473 -3.046 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.686 -6.806 -5.478 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.638 -8.203 -5.339 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.633 -5.675 -5.394 1.00 0.00 H new ATOM 0 HD3 PRO A 87 97.850 -6.946 -4.476 1.00 0.00 H new ATOM 1214 N THR A 88 101.496 -4.362 -3.464 1.00 0.00 N ATOM 1215 CA THR A 88 102.651 -3.415 -3.469 1.00 0.00 C ATOM 1216 C THR A 88 102.503 -2.430 -2.307 1.00 0.00 C ATOM 1217 O THR A 88 103.470 -2.090 -1.652 1.00 0.00 O ATOM 1218 CB THR A 88 102.586 -2.694 -4.807 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.498 -3.648 -5.857 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.837 -1.835 -4.992 1.00 0.00 C ATOM 0 H THR A 88 100.735 -4.123 -4.099 1.00 0.00 H new ATOM 0 HA THR A 88 103.608 -3.922 -3.346 1.00 0.00 H new ATOM 0 HB THR A 88 101.706 -2.052 -4.829 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.454 -3.183 -6.719 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.786 -1.320 -5.952 1.00 0.00 H new ATOM 0 HG22 THR A 88 103.896 -1.100 -4.189 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.722 -2.471 -4.968 1.00 0.00 H new ATOM 1228 N ALA A 89 101.303 -1.984 -2.035 1.00 0.00 N ATOM 1229 CA ALA A 89 101.098 -1.038 -0.900 1.00 0.00 C ATOM 1230 C ALA A 89 101.368 -1.770 0.414 1.00 0.00 C ATOM 1231 O ALA A 89 101.962 -1.228 1.326 1.00 0.00 O ATOM 1232 CB ALA A 89 99.632 -0.596 -0.993 1.00 0.00 C ATOM 0 H ALA A 89 100.459 -2.234 -2.550 1.00 0.00 H new ATOM 0 HA ALA A 89 101.767 -0.178 -0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.411 0.103 -0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.459 -0.109 -1.953 1.00 0.00 H new ATOM 0 HB3 ALA A 89 98.983 -1.467 -0.906 1.00 0.00 H new ATOM 1238 N PHE A 90 100.941 -2.999 0.507 1.00 0.00 N ATOM 1239 CA PHE A 90 101.180 -3.785 1.762 1.00 0.00 C ATOM 1240 C PHE A 90 102.683 -3.916 2.044 1.00 0.00 C ATOM 1241 O PHE A 90 103.137 -3.672 3.144 1.00 0.00 O ATOM 1242 CB PHE A 90 100.573 -5.166 1.488 1.00 0.00 C ATOM 1243 CG PHE A 90 100.591 -5.990 2.756 1.00 0.00 C ATOM 1244 CD1 PHE A 90 99.498 -5.946 3.632 1.00 0.00 C ATOM 1245 CD2 PHE A 90 101.693 -6.802 3.052 1.00 0.00 C ATOM 1246 CE1 PHE A 90 99.509 -6.712 4.805 1.00 0.00 C ATOM 1247 CE2 PHE A 90 101.703 -7.567 4.226 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.612 -7.522 5.102 1.00 0.00 C ATOM 0 H PHE A 90 100.437 -3.497 -0.227 1.00 0.00 H new ATOM 0 HA PHE A 90 100.736 -3.301 2.632 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.550 -5.059 1.126 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.137 -5.673 0.705 1.00 0.00 H new ATOM 0 HD1 PHE A 90 98.647 -5.322 3.403 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.534 -6.839 2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 90 98.667 -6.678 5.480 1.00 0.00 H new ATOM 0 HE2 PHE A 90 102.553 -8.192 4.455 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.621 -8.112 6.007 1.00 0.00 H new ATOM 1258 N THR A 91 103.450 -4.325 1.066 1.00 0.00 N ATOM 1259 CA THR A 91 104.924 -4.504 1.274 1.00 0.00 C ATOM 1260 C THR A 91 105.586 -3.186 1.685 1.00 0.00 C ATOM 1261 O THR A 91 106.472 -3.155 2.511 1.00 0.00 O ATOM 1262 CB THR A 91 105.474 -4.967 -0.077 1.00 0.00 C ATOM 1263 OG1 THR A 91 104.798 -6.145 -0.479 1.00 0.00 O ATOM 1264 CG2 THR A 91 106.965 -5.275 0.062 1.00 0.00 C ATOM 0 H THR A 91 103.119 -4.545 0.126 1.00 0.00 H new ATOM 0 HA THR A 91 105.126 -5.220 2.070 1.00 0.00 H new ATOM 0 HB THR A 91 105.325 -4.182 -0.818 1.00 0.00 H new ATOM 0 HG1 THR A 91 104.020 -5.906 -1.024 1.00 0.00 H new ATOM 0 HG21 THR A 91 107.359 -5.605 -0.899 1.00 0.00 H new ATOM 0 HG22 THR A 91 107.494 -4.377 0.382 1.00 0.00 H new ATOM 0 HG23 THR A 91 107.106 -6.063 0.802 1.00 0.00 H new ATOM 1272 N LYS A 92 105.171 -2.109 1.084 1.00 0.00 N ATOM 1273 CA LYS A 92 105.784 -0.788 1.417 1.00 0.00 C ATOM 1274 C LYS A 92 105.394 -0.341 2.825 1.00 0.00 C ATOM 1275 O LYS A 92 106.198 0.208 3.555 1.00 0.00 O ATOM 1276 CB LYS A 92 105.231 0.192 0.386 1.00 0.00 C ATOM 1277 CG LYS A 92 105.827 -0.120 -0.990 1.00 0.00 C ATOM 1278 CD LYS A 92 105.475 1.003 -1.972 1.00 0.00 C ATOM 1279 CE LYS A 92 103.959 1.065 -2.169 1.00 0.00 C ATOM 1280 NZ LYS A 92 103.728 2.298 -2.971 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.436 -2.082 0.378 1.00 0.00 H new ATOM 0 HA LYS A 92 106.872 -0.841 1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 92 104.144 0.120 0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 92 105.473 1.215 0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.909 -0.223 -0.913 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.441 -1.071 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 92 105.841 1.957 -1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 92 105.968 0.830 -2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 92 103.592 0.180 -2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 92 103.438 1.112 -1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 102.709 2.411 -3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 104.082 3.124 -2.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 104.231 2.221 -3.878 1.00 0.00 H new ATOM 1294 N LEU A 93 104.164 -0.560 3.204 1.00 0.00 N ATOM 1295 CA LEU A 93 103.712 -0.136 4.565 1.00 0.00 C ATOM 1296 C LEU A 93 104.339 -1.003 5.662 1.00 0.00 C ATOM 1297 O LEU A 93 104.745 -0.504 6.696 1.00 0.00 O ATOM 1298 CB LEU A 93 102.190 -0.305 4.546 1.00 0.00 C ATOM 1299 CG LEU A 93 101.587 0.087 5.903 1.00 0.00 C ATOM 1300 CD1 LEU A 93 101.909 1.550 6.220 1.00 0.00 C ATOM 1301 CD2 LEU A 93 100.069 -0.097 5.853 1.00 0.00 C ATOM 0 H LEU A 93 103.451 -1.014 2.632 1.00 0.00 H new ATOM 0 HA LEU A 93 104.013 0.888 4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.760 0.313 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 93 101.936 -1.339 4.314 1.00 0.00 H new ATOM 0 HG LEU A 93 102.013 -0.548 6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.477 1.817 7.184 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.990 1.685 6.257 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.490 2.191 5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.637 0.180 6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.651 0.537 5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 93 99.836 -1.140 5.638 1.00 0.00 H new ATOM 1313 N VAL A 94 104.378 -2.296 5.468 1.00 0.00 N ATOM 1314 CA VAL A 94 104.933 -3.202 6.528 1.00 0.00 C ATOM 1315 C VAL A 94 106.403 -3.535 6.270 1.00 0.00 C ATOM 1316 O VAL A 94 107.213 -3.544 7.177 1.00 0.00 O ATOM 1317 CB VAL A 94 104.080 -4.473 6.450 1.00 0.00 C ATOM 1318 CG1 VAL A 94 104.506 -5.446 7.554 1.00 0.00 C ATOM 1319 CG2 VAL A 94 102.600 -4.122 6.635 1.00 0.00 C ATOM 0 H VAL A 94 104.051 -2.767 4.624 1.00 0.00 H new ATOM 0 HA VAL A 94 104.896 -2.732 7.511 1.00 0.00 H new ATOM 0 HB VAL A 94 104.224 -4.936 5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 94 103.899 -6.349 7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 94 105.556 -5.706 7.424 1.00 0.00 H new ATOM 0 HG13 VAL A 94 104.367 -4.976 8.527 1.00 0.00 H new ATOM 0 HG21 VAL A 94 102.001 -5.031 6.578 1.00 0.00 H new ATOM 0 HG22 VAL A 94 102.456 -3.653 7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 94 102.289 -3.432 5.850 1.00 0.00 H new ATOM 1329 N GLY A 95 106.746 -3.810 5.044 1.00 0.00 N ATOM 1330 CA GLY A 95 108.158 -4.148 4.710 1.00 0.00 C ATOM 1331 C GLY A 95 108.229 -5.529 4.048 1.00 0.00 C ATOM 1332 O GLY A 95 109.194 -5.844 3.375 1.00 0.00 O ATOM 0 H GLY A 95 106.104 -3.815 4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 95 108.572 -3.394 4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 95 108.766 -4.139 5.615 1.00 0.00 H new ATOM 1336 N SER A 96 107.224 -6.356 4.226 1.00 0.00 N ATOM 1337 CA SER A 96 107.255 -7.712 3.596 1.00 0.00 C ATOM 1338 C SER A 96 105.837 -8.265 3.416 1.00 0.00 C ATOM 1339 O SER A 96 104.906 -7.840 4.074 1.00 0.00 O ATOM 1340 CB SER A 96 108.044 -8.583 4.569 1.00 0.00 C ATOM 1341 OG SER A 96 108.316 -9.839 3.959 1.00 0.00 O ATOM 0 H SER A 96 106.390 -6.151 4.777 1.00 0.00 H new ATOM 0 HA SER A 96 107.707 -7.686 2.604 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.976 -8.089 4.844 1.00 0.00 H new ATOM 0 HB3 SER A 96 107.477 -8.727 5.489 1.00 0.00 H new ATOM 0 HG SER A 96 108.824 -10.401 4.580 1.00 0.00 H new ATOM 1347 N THR A 97 105.673 -9.220 2.532 1.00 0.00 N ATOM 1348 CA THR A 97 104.320 -9.818 2.305 1.00 0.00 C ATOM 1349 C THR A 97 104.169 -11.139 3.080 1.00 0.00 C ATOM 1350 O THR A 97 103.195 -11.850 2.920 1.00 0.00 O ATOM 1351 CB THR A 97 104.239 -10.089 0.796 1.00 0.00 C ATOM 1352 OG1 THR A 97 105.230 -11.041 0.437 1.00 0.00 O ATOM 1353 CG2 THR A 97 104.471 -8.796 0.015 1.00 0.00 C ATOM 0 H THR A 97 106.419 -9.611 1.957 1.00 0.00 H new ATOM 0 HA THR A 97 103.529 -9.151 2.649 1.00 0.00 H new ATOM 0 HB THR A 97 103.249 -10.476 0.556 1.00 0.00 H new ATOM 0 HG1 THR A 97 105.180 -11.218 -0.526 1.00 0.00 H new ATOM 0 HG21 THR A 97 104.411 -9.001 -1.054 1.00 0.00 H new ATOM 0 HG22 THR A 97 103.710 -8.065 0.287 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.458 -8.399 0.254 1.00 0.00 H new ATOM 1361 N GLU A 98 105.130 -11.475 3.903 1.00 0.00 N ATOM 1362 CA GLU A 98 105.061 -12.755 4.680 1.00 0.00 C ATOM 1363 C GLU A 98 103.964 -12.711 5.748 1.00 0.00 C ATOM 1364 O GLU A 98 103.317 -13.706 6.016 1.00 0.00 O ATOM 1365 CB GLU A 98 106.434 -12.899 5.339 1.00 0.00 C ATOM 1366 CG GLU A 98 107.487 -13.204 4.270 1.00 0.00 C ATOM 1367 CD GLU A 98 108.890 -13.244 4.895 1.00 0.00 C ATOM 1368 OE1 GLU A 98 109.020 -12.906 6.063 1.00 0.00 O ATOM 1369 OE2 GLU A 98 109.816 -13.610 4.190 1.00 0.00 O1- ATOM 0 H GLU A 98 105.966 -10.915 4.073 1.00 0.00 H new ATOM 0 HA GLU A 98 104.819 -13.596 4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 98 106.693 -11.982 5.868 1.00 0.00 H new ATOM 0 HB3 GLU A 98 106.411 -13.698 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 98 107.266 -14.160 3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 98 107.452 -12.445 3.489 1.00 0.00 H new ATOM 1376 N ALA A 99 103.762 -11.578 6.372 1.00 0.00 N ATOM 1377 CA ALA A 99 102.717 -11.489 7.442 1.00 0.00 C ATOM 1378 C ALA A 99 101.337 -11.841 6.881 1.00 0.00 C ATOM 1379 O ALA A 99 100.555 -12.514 7.526 1.00 0.00 O ATOM 1380 CB ALA A 99 102.748 -10.035 7.918 1.00 0.00 C ATOM 0 H ALA A 99 104.272 -10.714 6.189 1.00 0.00 H new ATOM 0 HA ALA A 99 102.911 -12.188 8.256 1.00 0.00 H new ATOM 0 HB1 ALA A 99 102.007 -9.894 8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 99 103.739 -9.801 8.307 1.00 0.00 H new ATOM 0 HB3 ALA A 99 102.521 -9.374 7.082 1.00 0.00 H new ATOM 1386 N GLY A 100 101.033 -11.396 5.687 1.00 0.00 N ATOM 1387 CA GLY A 100 99.703 -11.710 5.088 1.00 0.00 C ATOM 1388 C GLY A 100 98.661 -10.720 5.611 1.00 0.00 C ATOM 1389 O GLY A 100 98.240 -9.819 4.910 1.00 0.00 O ATOM 0 H GLY A 100 101.649 -10.830 5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 100 99.760 -11.654 4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.410 -12.729 5.340 1.00 0.00 H new ATOM 1393 N ARG A 101 98.242 -10.887 6.838 1.00 0.00 N ATOM 1394 CA ARG A 101 97.224 -9.971 7.424 1.00 0.00 C ATOM 1395 C ARG A 101 97.727 -9.422 8.761 1.00 0.00 C ATOM 1396 O ARG A 101 98.208 -10.163 9.598 1.00 0.00 O ATOM 1397 CB ARG A 101 96.003 -10.848 7.652 1.00 0.00 C ATOM 1398 CG ARG A 101 94.799 -9.984 8.017 1.00 0.00 C ATOM 1399 CD ARG A 101 93.606 -10.899 8.282 1.00 0.00 C ATOM 1400 NE ARG A 101 92.423 -9.999 8.376 1.00 0.00 N ATOM 1401 CZ ARG A 101 91.287 -10.460 8.825 1.00 0.00 C ATOM 1402 NH1 ARG A 101 91.179 -10.830 10.072 1.00 0.00 N ATOM 1403 NH2 ARG A 101 90.261 -10.556 8.024 1.00 0.00 N1+ ATOM 0 H ARG A 101 98.565 -11.625 7.463 1.00 0.00 H new ATOM 0 HA ARG A 101 97.010 -9.119 6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 101 95.787 -11.425 6.753 1.00 0.00 H new ATOM 0 HB3 ARG A 101 96.203 -11.563 8.450 1.00 0.00 H new ATOM 0 HG2 ARG A 101 95.018 -9.383 8.899 1.00 0.00 H new ATOM 0 HG3 ARG A 101 94.572 -9.291 7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 101 93.483 -11.625 7.478 1.00 0.00 H new ATOM 0 HD3 ARG A 101 93.743 -11.464 9.204 1.00 0.00 H new ATOM 0 HE ARG A 101 92.500 -9.023 8.090 1.00 0.00 H new ATOM 0 HH11 ARG A 101 91.982 -10.759 10.696 1.00 0.00 H new ATOM 0 HH12 ARG A 101 90.291 -11.190 10.422 1.00 0.00 H new ATOM 0 HH21 ARG A 101 90.347 -10.271 7.048 1.00 0.00 H new ATOM 0 HH22 ARG A 101 89.373 -10.916 8.374 1.00 0.00 H new ATOM 1417 N VAL A 102 97.613 -8.137 8.972 1.00 0.00 N ATOM 1418 CA VAL A 102 98.077 -7.549 10.263 1.00 0.00 C ATOM 1419 C VAL A 102 96.901 -6.911 11.003 1.00 0.00 C ATOM 1420 O VAL A 102 96.255 -6.009 10.508 1.00 0.00 O ATOM 1421 CB VAL A 102 99.125 -6.496 9.883 1.00 0.00 C ATOM 1422 CG1 VAL A 102 99.668 -5.826 11.149 1.00 0.00 C ATOM 1423 CG2 VAL A 102 100.280 -7.174 9.144 1.00 0.00 C ATOM 0 H VAL A 102 97.219 -7.471 8.308 1.00 0.00 H new ATOM 0 HA VAL A 102 98.498 -8.302 10.930 1.00 0.00 H new ATOM 0 HB VAL A 102 98.663 -5.745 9.242 1.00 0.00 H new ATOM 0 HG11 VAL A 102 100.412 -5.079 10.874 1.00 0.00 H new ATOM 0 HG12 VAL A 102 98.850 -5.344 11.685 1.00 0.00 H new ATOM 0 HG13 VAL A 102 100.128 -6.578 11.790 1.00 0.00 H new ATOM 0 HG21 VAL A 102 101.026 -6.427 8.873 1.00 0.00 H new ATOM 0 HG22 VAL A 102 100.735 -7.924 9.791 1.00 0.00 H new ATOM 0 HG23 VAL A 102 99.902 -7.654 8.241 1.00 0.00 H new ATOM 1433 N ASP A 103 96.628 -7.387 12.185 1.00 0.00 N ATOM 1434 CA ASP A 103 95.501 -6.835 12.985 1.00 0.00 C ATOM 1435 C ASP A 103 95.956 -5.620 13.793 1.00 0.00 C ATOM 1436 O ASP A 103 97.110 -5.240 13.768 1.00 0.00 O ATOM 1437 CB ASP A 103 95.074 -7.984 13.911 1.00 0.00 C ATOM 1438 CG ASP A 103 96.214 -8.368 14.865 1.00 0.00 C ATOM 1439 OD1 ASP A 103 97.362 -8.148 14.516 1.00 0.00 O ATOM 1440 OD2 ASP A 103 95.915 -8.875 15.934 1.00 0.00 O1- ATOM 0 H ASP A 103 97.144 -8.143 12.635 1.00 0.00 H new ATOM 0 HA ASP A 103 94.679 -6.492 12.357 1.00 0.00 H new ATOM 0 HB2 ASP A 103 94.197 -7.687 14.486 1.00 0.00 H new ATOM 0 HB3 ASP A 103 94.786 -8.850 13.315 1.00 0.00 H new ATOM 1445 N ASN A 104 95.047 -5.020 14.518 1.00 0.00 N ATOM 1446 CA ASN A 104 95.388 -3.828 15.361 1.00 0.00 C ATOM 1447 C ASN A 104 95.954 -2.689 14.508 1.00 0.00 C ATOM 1448 O ASN A 104 96.994 -2.131 14.808 1.00 0.00 O ATOM 1449 CB ASN A 104 96.436 -4.320 16.373 1.00 0.00 C ATOM 1450 CG ASN A 104 96.702 -3.243 17.429 1.00 0.00 C ATOM 1451 OD1 ASN A 104 96.156 -2.158 17.369 1.00 0.00 O ATOM 1452 ND2 ASN A 104 97.534 -3.500 18.402 1.00 0.00 N ATOM 0 H ASN A 104 94.069 -5.307 14.564 1.00 0.00 H new ATOM 0 HA ASN A 104 94.503 -3.429 15.857 1.00 0.00 H new ATOM 0 HB2 ASN A 104 96.086 -5.233 16.855 1.00 0.00 H new ATOM 0 HB3 ASN A 104 97.363 -4.568 15.856 1.00 0.00 H new ATOM 0 HD21 ASN A 104 97.725 -2.791 19.110 1.00 0.00 H new ATOM 0 HD22 ASN A 104 97.993 -4.410 18.454 1.00 0.00 H new ATOM 1459 N VAL A 105 95.277 -2.357 13.442 1.00 0.00 N ATOM 1460 CA VAL A 105 95.778 -1.262 12.554 1.00 0.00 C ATOM 1461 C VAL A 105 94.941 0.006 12.739 1.00 0.00 C ATOM 1462 O VAL A 105 93.732 -0.032 12.671 1.00 0.00 O ATOM 1463 CB VAL A 105 95.632 -1.796 11.129 1.00 0.00 C ATOM 1464 CG1 VAL A 105 96.123 -0.740 10.132 1.00 0.00 C ATOM 1465 CG2 VAL A 105 96.454 -3.082 10.966 1.00 0.00 C ATOM 0 H VAL A 105 94.403 -2.792 13.146 1.00 0.00 H new ATOM 0 HA VAL A 105 96.810 -0.995 12.784 1.00 0.00 H new ATOM 0 HB VAL A 105 94.582 -2.017 10.935 1.00 0.00 H new ATOM 0 HG11 VAL A 105 96.018 -1.122 9.116 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.529 0.168 10.241 1.00 0.00 H new ATOM 0 HG13 VAL A 105 97.171 -0.514 10.328 1.00 0.00 H new ATOM 0 HG21 VAL A 105 96.345 -3.457 9.948 1.00 0.00 H new ATOM 0 HG22 VAL A 105 97.505 -2.870 11.164 1.00 0.00 H new ATOM 0 HG23 VAL A 105 96.097 -3.834 11.670 1.00 0.00 H new ATOM 1475 N ASN A 106 95.572 1.132 12.969 1.00 0.00 N ATOM 1476 CA ASN A 106 94.777 2.382 13.145 1.00 0.00 C ATOM 1477 C ASN A 106 94.508 3.013 11.776 1.00 0.00 C ATOM 1478 O ASN A 106 95.365 3.064 10.917 1.00 0.00 O ATOM 1479 CB ASN A 106 95.609 3.293 14.045 1.00 0.00 C ATOM 1480 CG ASN A 106 94.692 4.307 14.729 1.00 0.00 C ATOM 1481 OD1 ASN A 106 93.618 3.965 15.180 1.00 0.00 O ATOM 1482 ND2 ASN A 106 95.073 5.551 14.828 1.00 0.00 N ATOM 0 H ASN A 106 96.584 1.237 13.041 1.00 0.00 H new ATOM 0 HA ASN A 106 93.804 2.198 13.601 1.00 0.00 H new ATOM 0 HB2 ASN A 106 96.136 2.701 14.793 1.00 0.00 H new ATOM 0 HB3 ASN A 106 96.367 3.810 13.456 1.00 0.00 H new ATOM 0 HD21 ASN A 106 94.469 6.235 15.284 1.00 0.00 H new ATOM 0 HD22 ASN A 106 95.975 5.840 14.450 1.00 0.00 H new ATOM 1489 N TYR A 107 93.301 3.468 11.575 1.00 0.00 N ATOM 1490 CA TYR A 107 92.915 4.079 10.265 1.00 0.00 C ATOM 1491 C TYR A 107 92.118 5.365 10.487 1.00 0.00 C ATOM 1492 O TYR A 107 91.314 5.455 11.395 1.00 0.00 O ATOM 1493 CB TYR A 107 92.037 3.021 9.574 1.00 0.00 C ATOM 1494 CG TYR A 107 90.909 2.588 10.488 1.00 0.00 C ATOM 1495 CD1 TYR A 107 91.099 1.509 11.361 1.00 0.00 C ATOM 1496 CD2 TYR A 107 89.679 3.256 10.458 1.00 0.00 C ATOM 1497 CE1 TYR A 107 90.060 1.098 12.204 1.00 0.00 C ATOM 1498 CE2 TYR A 107 88.640 2.846 11.303 1.00 0.00 C ATOM 1499 CZ TYR A 107 88.831 1.767 12.176 1.00 0.00 C ATOM 1500 OH TYR A 107 87.806 1.362 13.007 1.00 0.00 O ATOM 0 H TYR A 107 92.555 3.443 12.270 1.00 0.00 H new ATOM 0 HA TYR A 107 93.787 4.346 9.667 1.00 0.00 H new ATOM 0 HB2 TYR A 107 91.628 3.427 8.649 1.00 0.00 H new ATOM 0 HB3 TYR A 107 92.644 2.158 9.302 1.00 0.00 H new ATOM 0 HD1 TYR A 107 92.048 0.994 11.384 1.00 0.00 H new ATOM 0 HD2 TYR A 107 89.531 4.087 9.784 1.00 0.00 H new ATOM 0 HE1 TYR A 107 90.207 0.265 12.876 1.00 0.00 H new ATOM 0 HE2 TYR A 107 87.691 3.362 11.282 1.00 0.00 H new ATOM 0 HH TYR A 107 87.023 1.933 12.862 1.00 0.00 H new ATOM 1510 N VAL A 108 92.345 6.366 9.670 1.00 0.00 N ATOM 1511 CA VAL A 108 91.607 7.654 9.842 1.00 0.00 C ATOM 1512 C VAL A 108 91.379 8.343 8.490 1.00 0.00 C ATOM 1513 O VAL A 108 92.182 8.237 7.583 1.00 0.00 O ATOM 1514 CB VAL A 108 92.504 8.513 10.743 1.00 0.00 C ATOM 1515 CG1 VAL A 108 92.681 7.824 12.098 1.00 0.00 C ATOM 1516 CG2 VAL A 108 93.878 8.700 10.090 1.00 0.00 C ATOM 0 H VAL A 108 93.007 6.346 8.895 1.00 0.00 H new ATOM 0 HA VAL A 108 90.620 7.498 10.276 1.00 0.00 H new ATOM 0 HB VAL A 108 92.035 9.487 10.883 1.00 0.00 H new ATOM 0 HG11 VAL A 108 93.318 8.436 12.737 1.00 0.00 H new ATOM 0 HG12 VAL A 108 91.708 7.697 12.572 1.00 0.00 H new ATOM 0 HG13 VAL A 108 93.143 6.848 11.952 1.00 0.00 H new ATOM 0 HG21 VAL A 108 94.508 9.311 10.737 1.00 0.00 H new ATOM 0 HG22 VAL A 108 94.346 7.727 9.942 1.00 0.00 H new ATOM 0 HG23 VAL A 108 93.759 9.195 9.127 1.00 0.00 H new ATOM 1526 N GLN A 109 90.289 9.056 8.361 1.00 0.00 N ATOM 1527 CA GLN A 109 89.992 9.774 7.081 1.00 0.00 C ATOM 1528 C GLN A 109 90.858 11.032 6.966 1.00 0.00 C ATOM 1529 O GLN A 109 91.119 11.707 7.945 1.00 0.00 O ATOM 1530 CB GLN A 109 88.511 10.156 7.177 1.00 0.00 C ATOM 1531 CG GLN A 109 88.082 10.903 5.914 1.00 0.00 C ATOM 1532 CD GLN A 109 86.603 11.280 6.020 1.00 0.00 C ATOM 1533 OE1 GLN A 109 86.148 11.718 7.059 1.00 0.00 O ATOM 1534 NE2 GLN A 109 85.825 11.126 4.982 1.00 0.00 N ATOM 0 H GLN A 109 89.587 9.173 9.091 1.00 0.00 H new ATOM 0 HA GLN A 109 90.203 9.160 6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 109 87.903 9.260 7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 109 88.344 10.781 8.054 1.00 0.00 H new ATOM 0 HG2 GLN A 109 88.688 11.800 5.786 1.00 0.00 H new ATOM 0 HG3 GLN A 109 88.247 10.279 5.036 1.00 0.00 H new ATOM 0 HE21 GLN A 109 86.205 10.759 4.110 1.00 0.00 H new ATOM 0 HE22 GLN A 109 84.837 11.373 5.044 1.00 0.00 H new ATOM 1543 N VAL A 110 91.297 11.354 5.773 1.00 0.00 N ATOM 1544 CA VAL A 110 92.140 12.572 5.586 1.00 0.00 C ATOM 1545 C VAL A 110 91.711 13.337 4.323 1.00 0.00 C ATOM 1546 O VAL A 110 90.956 12.835 3.513 1.00 0.00 O ATOM 1547 CB VAL A 110 93.578 12.058 5.455 1.00 0.00 C ATOM 1548 CG1 VAL A 110 93.983 11.341 6.745 1.00 0.00 C ATOM 1549 CG2 VAL A 110 93.679 11.078 4.279 1.00 0.00 C ATOM 0 H VAL A 110 91.107 10.825 4.922 1.00 0.00 H new ATOM 0 HA VAL A 110 92.039 13.268 6.419 1.00 0.00 H new ATOM 0 HB VAL A 110 94.243 12.903 5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.006 10.975 6.652 1.00 0.00 H new ATOM 0 HG12 VAL A 110 93.921 12.036 7.582 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.312 10.500 6.920 1.00 0.00 H new ATOM 0 HG21 VAL A 110 94.704 10.717 4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.011 10.234 4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.394 11.585 3.357 1.00 0.00 H new ATOM 1559 N ASP A 111 92.187 14.549 4.155 1.00 0.00 N ATOM 1560 CA ASP A 111 91.806 15.354 2.948 1.00 0.00 C ATOM 1561 C ASP A 111 92.264 14.655 1.662 1.00 0.00 C ATOM 1562 O ASP A 111 93.260 13.957 1.641 1.00 0.00 O ATOM 1563 CB ASP A 111 92.518 16.699 3.116 1.00 0.00 C ATOM 1564 CG ASP A 111 91.876 17.484 4.264 1.00 0.00 C ATOM 1565 OD1 ASP A 111 90.693 17.294 4.504 1.00 0.00 O ATOM 1566 OD2 ASP A 111 92.578 18.265 4.884 1.00 0.00 O1- ATOM 0 H ASP A 111 92.823 15.016 4.801 1.00 0.00 H new ATOM 0 HA ASP A 111 90.726 15.475 2.867 1.00 0.00 H new ATOM 0 HB2 ASP A 111 93.576 16.538 3.320 1.00 0.00 H new ATOM 0 HB3 ASP A 111 92.456 17.272 2.191 1.00 0.00 H new ATOM 1571 N LEU A 112 91.525 14.826 0.594 1.00 0.00 N ATOM 1572 CA LEU A 112 91.881 14.166 -0.706 1.00 0.00 C ATOM 1573 C LEU A 112 93.241 14.635 -1.237 1.00 0.00 C ATOM 1574 O LEU A 112 94.001 13.854 -1.780 1.00 0.00 O ATOM 1575 CB LEU A 112 90.767 14.569 -1.675 1.00 0.00 C ATOM 1576 CG LEU A 112 91.016 13.950 -3.056 1.00 0.00 C ATOM 1577 CD1 LEU A 112 89.682 13.588 -3.710 1.00 0.00 C ATOM 1578 CD2 LEU A 112 91.753 14.960 -3.938 1.00 0.00 C ATOM 0 H LEU A 112 90.682 15.399 0.564 1.00 0.00 H new ATOM 0 HA LEU A 112 91.965 13.086 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 112 89.802 14.239 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 112 90.722 15.655 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 112 91.619 13.049 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.865 13.149 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 112 89.153 12.870 -3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 112 89.076 14.487 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.932 14.523 -4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 112 91.147 15.859 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.706 15.218 -3.477 1.00 0.00 H new ATOM 1590 N SER A 113 93.541 15.902 -1.118 1.00 0.00 N ATOM 1591 CA SER A 113 94.842 16.427 -1.653 1.00 0.00 C ATOM 1592 C SER A 113 96.027 15.617 -1.111 1.00 0.00 C ATOM 1593 O SER A 113 96.993 15.382 -1.805 1.00 0.00 O ATOM 1594 CB SER A 113 94.919 17.873 -1.165 1.00 0.00 C ATOM 1595 OG SER A 113 94.905 17.889 0.257 1.00 0.00 O ATOM 0 H SER A 113 92.944 16.600 -0.674 1.00 0.00 H new ATOM 0 HA SER A 113 94.888 16.354 -2.740 1.00 0.00 H new ATOM 0 HB2 SER A 113 95.828 18.347 -1.537 1.00 0.00 H new ATOM 0 HB3 SER A 113 94.078 18.446 -1.555 1.00 0.00 H new ATOM 0 HG SER A 113 94.956 18.815 0.574 1.00 0.00 H new ATOM 1601 N ASN A 114 95.959 15.206 0.123 1.00 0.00 N ATOM 1602 CA ASN A 114 97.077 14.416 0.734 1.00 0.00 C ATOM 1603 C ASN A 114 97.316 13.093 -0.004 1.00 0.00 C ATOM 1604 O ASN A 114 98.447 12.672 -0.165 1.00 0.00 O ATOM 1605 CB ASN A 114 96.647 14.155 2.178 1.00 0.00 C ATOM 1606 CG ASN A 114 96.687 15.469 2.963 1.00 0.00 C ATOM 1607 OD1 ASN A 114 97.475 16.342 2.666 1.00 0.00 O ATOM 1608 ND2 ASN A 114 95.863 15.646 3.961 1.00 0.00 N ATOM 0 H ASN A 114 95.171 15.383 0.746 1.00 0.00 H new ATOM 0 HA ASN A 114 98.018 14.963 0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 114 95.641 13.735 2.200 1.00 0.00 H new ATOM 0 HB3 ASN A 114 97.308 13.422 2.640 1.00 0.00 H new ATOM 0 HD21 ASN A 114 95.882 16.518 4.490 1.00 0.00 H new ATOM 0 HD22 ASN A 114 95.200 14.912 4.211 1.00 0.00 H new ATOM 1615 N CYS A 115 96.279 12.433 -0.451 1.00 0.00 N ATOM 1616 CA CYS A 115 96.478 11.135 -1.174 1.00 0.00 C ATOM 1617 C CYS A 115 97.173 11.372 -2.512 1.00 0.00 C ATOM 1618 O CYS A 115 98.095 10.668 -2.875 1.00 0.00 O ATOM 1619 CB CYS A 115 95.078 10.584 -1.437 1.00 0.00 C ATOM 1620 SG CYS A 115 94.204 10.322 0.120 1.00 0.00 S ATOM 0 H CYS A 115 95.309 12.731 -0.349 1.00 0.00 H new ATOM 0 HA CYS A 115 97.093 10.452 -0.588 1.00 0.00 H new ATOM 0 HB2 CYS A 115 94.518 11.279 -2.063 1.00 0.00 H new ATOM 0 HB3 CYS A 115 95.147 9.645 -1.986 1.00 0.00 H new ATOM 1625 N ILE A 116 96.718 12.346 -3.254 1.00 0.00 N ATOM 1626 CA ILE A 116 97.332 12.622 -4.587 1.00 0.00 C ATOM 1627 C ILE A 116 98.740 13.200 -4.420 1.00 0.00 C ATOM 1628 O ILE A 116 99.648 12.859 -5.154 1.00 0.00 O ATOM 1629 CB ILE A 116 96.383 13.610 -5.272 1.00 0.00 C ATOM 1630 CG1 ILE A 116 95.018 12.946 -5.456 1.00 0.00 C ATOM 1631 CG2 ILE A 116 96.934 14.013 -6.642 1.00 0.00 C ATOM 1632 CD1 ILE A 116 93.999 13.985 -5.923 1.00 0.00 C ATOM 0 H ILE A 116 95.948 12.963 -2.995 1.00 0.00 H new ATOM 0 HA ILE A 116 97.452 11.719 -5.185 1.00 0.00 H new ATOM 0 HB ILE A 116 96.288 14.501 -4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 116 95.090 12.140 -6.186 1.00 0.00 H new ATOM 0 HG13 ILE A 116 94.691 12.498 -4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 116 96.249 14.715 -7.117 1.00 0.00 H new ATOM 0 HG22 ILE A 116 97.909 14.484 -6.518 1.00 0.00 H new ATOM 0 HG23 ILE A 116 97.037 13.127 -7.268 1.00 0.00 H new ATOM 0 HD11 ILE A 116 93.027 13.509 -6.053 1.00 0.00 H new ATOM 0 HD12 ILE A 116 93.918 14.776 -5.178 1.00 0.00 H new ATOM 0 HD13 ILE A 116 94.324 14.412 -6.872 1.00 0.00 H new ATOM 1644 N ASN A 117 98.928 14.068 -3.457 1.00 0.00 N ATOM 1645 CA ASN A 117 100.282 14.667 -3.242 1.00 0.00 C ATOM 1646 C ASN A 117 101.266 13.590 -2.775 1.00 0.00 C ATOM 1647 O ASN A 117 102.411 13.565 -3.185 1.00 0.00 O ATOM 1648 CB ASN A 117 100.088 15.719 -2.148 1.00 0.00 C ATOM 1649 CG ASN A 117 99.281 16.894 -2.702 1.00 0.00 C ATOM 1650 OD1 ASN A 117 99.335 17.183 -3.881 1.00 0.00 O ATOM 1651 ND2 ASN A 117 98.529 17.591 -1.893 1.00 0.00 N ATOM 0 H ASN A 117 98.205 14.387 -2.812 1.00 0.00 H new ATOM 0 HA ASN A 117 100.688 15.101 -4.156 1.00 0.00 H new ATOM 0 HB2 ASN A 117 99.571 15.280 -1.295 1.00 0.00 H new ATOM 0 HB3 ASN A 117 101.056 16.067 -1.789 1.00 0.00 H new ATOM 0 HD21 ASN A 117 97.987 18.378 -2.251 1.00 0.00 H new ATOM 0 HD22 ASN A 117 98.483 17.349 -0.903 1.00 0.00 H new ATOM 1658 N GLY A 118 100.823 12.707 -1.919 1.00 0.00 N ATOM 1659 CA GLY A 118 101.718 11.627 -1.412 1.00 0.00 C ATOM 1660 C GLY A 118 101.993 10.612 -2.522 1.00 0.00 C ATOM 1661 O GLY A 118 103.119 10.204 -2.739 1.00 0.00 O ATOM 0 H GLY A 118 99.873 12.688 -1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 118 102.656 12.056 -1.060 1.00 0.00 H new ATOM 0 HA3 GLY A 118 101.255 11.130 -0.560 1.00 0.00 H new ATOM 1665 N ALA A 119 100.967 10.198 -3.220 1.00 0.00 N ATOM 1666 CA ALA A 119 101.153 9.196 -4.317 1.00 0.00 C ATOM 1667 C ALA A 119 102.104 9.743 -5.387 1.00 0.00 C ATOM 1668 O ALA A 119 102.985 9.047 -5.857 1.00 0.00 O ATOM 1669 CB ALA A 119 99.756 8.977 -4.904 1.00 0.00 C ATOM 0 H ALA A 119 100.006 10.510 -3.079 1.00 0.00 H new ATOM 0 HA ALA A 119 101.590 8.268 -3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 119 99.812 8.252 -5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 119 99.090 8.601 -4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 119 99.370 9.922 -5.287 1.00 0.00 H new ATOM 1675 N ASN A 120 101.933 10.983 -5.772 1.00 0.00 N ATOM 1676 CA ASN A 120 102.827 11.580 -6.808 1.00 0.00 C ATOM 1677 C ASN A 120 104.028 12.256 -6.143 1.00 0.00 C ATOM 1678 O ASN A 120 105.136 12.035 -6.603 1.00 0.00 O ATOM 1679 CB ASN A 120 101.964 12.612 -7.536 1.00 0.00 C ATOM 1680 CG ASN A 120 101.033 11.899 -8.519 1.00 0.00 C ATOM 1681 OD1 ASN A 120 99.837 12.114 -8.508 1.00 0.00 O ATOM 1682 ND2 ASN A 120 101.536 11.054 -9.378 1.00 0.00 N ATOM 1683 OXT ASN A 120 103.819 12.982 -5.185 1.00 0.00 O ATOM 0 H ASN A 120 101.211 11.608 -5.412 1.00 0.00 H new ATOM 0 HA ASN A 120 103.223 10.829 -7.492 1.00 0.00 H new ATOM 0 HB2 ASN A 120 101.380 13.185 -6.816 1.00 0.00 H new ATOM 0 HB3 ASN A 120 102.598 13.321 -8.069 1.00 0.00 H new ATOM 0 HD21 ASN A 120 100.925 10.575 -10.039 1.00 0.00 H new ATOM 0 HD22 ASN A 120 102.540 10.873 -9.388 1.00 0.00 H new