USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 842 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -3.54! C(o=-3.5!,f=-4.7!) USER MOD Single : A 17 GLN : amide:sc= -1.74 K(o=-1.7,f=-4.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.049 USER MOD Single : A 44 GLN : amide:sc= -0.0781 X(o=-0.078,f=-0.072) USER MOD Single : A 48 ASN : amide:sc= -0.218 K(o=-0.22,f=-0.93) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0351) USER MOD Single : A 54 TYR OH : rot -80:sc= -0.105 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0826 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.812! C(o=-0.81!,f=-1!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 150:sc= -0.274 USER MOD Single : A 87 TYR OH : rot -58:sc= -0.428 USER MOD Single : A 90 SER OG : rot 8:sc= 0.195 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.1) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc=-0.00124 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.313 28.340 33.748 1.00 0.00 N ATOM 2 CA GLY A 1 -29.075 28.960 33.306 1.00 0.00 C ATOM 3 C GLY A 1 -28.496 28.225 32.095 1.00 0.00 C ATOM 4 O GLY A 1 -28.533 28.738 30.978 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.686 28.857 34.570 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.010 28.368 32.977 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.130 27.351 34.014 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.258 30.003 33.049 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.350 28.954 34.120 1.00 0.00 H new ATOM 8 N SER A 2 -27.974 27.036 32.359 1.00 0.00 N ATOM 9 CA SER A 2 -27.388 26.226 31.304 1.00 0.00 C ATOM 10 C SER A 2 -26.179 26.946 30.702 1.00 0.00 C ATOM 11 O SER A 2 -25.978 28.135 30.942 1.00 0.00 O ATOM 12 CB SER A 2 -28.415 25.912 30.215 1.00 0.00 C ATOM 13 OG SER A 2 -29.180 24.750 30.523 1.00 0.00 O ATOM 0 H SER A 2 -27.945 26.614 33.287 1.00 0.00 H new ATOM 0 HA SER A 2 -27.061 25.282 31.740 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.084 26.764 30.090 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.902 25.767 29.264 1.00 0.00 H new ATOM 0 HG SER A 2 -29.826 24.584 29.805 1.00 0.00 H new ATOM 19 N SER A 3 -25.406 26.194 29.932 1.00 0.00 N ATOM 20 CA SER A 3 -24.223 26.746 29.294 1.00 0.00 C ATOM 21 C SER A 3 -24.001 26.076 27.936 1.00 0.00 C ATOM 22 O SER A 3 -24.315 24.900 27.762 1.00 0.00 O ATOM 23 CB SER A 3 -22.988 26.572 30.180 1.00 0.00 C ATOM 24 OG SER A 3 -22.474 25.244 30.126 1.00 0.00 O ATOM 0 H SER A 3 -25.576 25.208 29.736 1.00 0.00 H new ATOM 0 HA SER A 3 -24.381 27.814 29.144 1.00 0.00 H new ATOM 0 HB2 SER A 3 -22.215 27.273 29.865 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.243 26.820 31.210 1.00 0.00 H new ATOM 0 HG SER A 3 -21.685 25.175 30.704 1.00 0.00 H new ATOM 30 N GLY A 4 -23.460 26.854 27.010 1.00 0.00 N ATOM 31 CA GLY A 4 -23.192 26.351 25.674 1.00 0.00 C ATOM 32 C GLY A 4 -21.726 26.568 25.290 1.00 0.00 C ATOM 33 O GLY A 4 -21.186 27.656 25.479 1.00 0.00 O ATOM 0 H GLY A 4 -23.200 27.829 27.159 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.431 25.288 25.627 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.838 26.855 24.955 1.00 0.00 H new ATOM 37 N SER A 5 -21.125 25.514 24.758 1.00 0.00 N ATOM 38 CA SER A 5 -19.733 25.575 24.346 1.00 0.00 C ATOM 39 C SER A 5 -19.625 25.371 22.833 1.00 0.00 C ATOM 40 O SER A 5 -19.481 24.243 22.364 1.00 0.00 O ATOM 41 CB SER A 5 -18.894 24.530 25.084 1.00 0.00 C ATOM 42 OG SER A 5 -17.661 25.070 25.553 1.00 0.00 O ATOM 0 H SER A 5 -21.577 24.613 24.603 1.00 0.00 H new ATOM 0 HA SER A 5 -19.344 26.560 24.602 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.463 24.138 25.928 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.692 23.691 24.418 1.00 0.00 H new ATOM 0 HG SER A 5 -17.155 24.373 26.020 1.00 0.00 H new ATOM 48 N SER A 6 -19.700 26.480 22.112 1.00 0.00 N ATOM 49 CA SER A 6 -19.613 26.437 20.662 1.00 0.00 C ATOM 50 C SER A 6 -18.460 25.527 20.234 1.00 0.00 C ATOM 51 O SER A 6 -18.671 24.544 19.525 1.00 0.00 O ATOM 52 CB SER A 6 -19.426 27.839 20.080 1.00 0.00 C ATOM 53 OG SER A 6 -20.278 28.071 18.961 1.00 0.00 O ATOM 0 H SER A 6 -19.820 27.414 22.505 1.00 0.00 H new ATOM 0 HA SER A 6 -20.549 26.034 20.275 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.630 28.582 20.851 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.387 27.970 19.778 1.00 0.00 H new ATOM 0 HG SER A 6 -20.130 28.977 18.619 1.00 0.00 H new ATOM 59 N GLY A 7 -17.266 25.886 20.683 1.00 0.00 N ATOM 60 CA GLY A 7 -16.080 25.113 20.356 1.00 0.00 C ATOM 61 C GLY A 7 -16.137 24.607 18.913 1.00 0.00 C ATOM 62 O GLY A 7 -16.516 23.462 18.668 1.00 0.00 O ATOM 0 H GLY A 7 -17.095 26.702 21.271 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.191 25.728 20.495 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.993 24.268 21.039 1.00 0.00 H new ATOM 66 N ALA A 8 -15.754 25.483 17.996 1.00 0.00 N ATOM 67 CA ALA A 8 -15.757 25.139 16.585 1.00 0.00 C ATOM 68 C ALA A 8 -14.402 24.536 16.209 1.00 0.00 C ATOM 69 O ALA A 8 -13.472 24.541 17.014 1.00 0.00 O ATOM 70 CB ALA A 8 -16.092 26.381 15.757 1.00 0.00 C ATOM 0 H ALA A 8 -15.439 26.431 18.203 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.521 24.391 16.374 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -16.094 26.123 14.698 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -17.076 26.754 16.042 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -15.345 27.153 15.941 1.00 0.00 H new ATOM 76 N ILE A 9 -14.334 24.031 14.986 1.00 0.00 N ATOM 77 CA ILE A 9 -13.108 23.425 14.494 1.00 0.00 C ATOM 78 C ILE A 9 -11.946 24.399 14.696 1.00 0.00 C ATOM 79 O ILE A 9 -12.088 25.598 14.459 1.00 0.00 O ATOM 80 CB ILE A 9 -13.281 22.967 13.044 1.00 0.00 C ATOM 81 CG1 ILE A 9 -13.509 24.161 12.115 1.00 0.00 C ATOM 82 CG2 ILE A 9 -14.399 21.929 12.927 1.00 0.00 C ATOM 83 CD1 ILE A 9 -12.193 24.625 11.487 1.00 0.00 C ATOM 0 H ILE A 9 -15.108 24.029 14.321 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.873 22.525 15.063 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.357 22.483 12.726 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.214 23.887 11.330 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.958 24.981 12.675 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.501 21.620 11.887 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.156 21.062 13.541 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.337 22.365 13.270 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.383 25.475 10.831 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.499 24.921 12.274 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.759 23.810 10.908 1.00 0.00 H new ATOM 95 N TYR A 10 -10.822 23.848 15.131 1.00 0.00 N ATOM 96 CA TYR A 10 -9.636 24.654 15.368 1.00 0.00 C ATOM 97 C TYR A 10 -8.373 23.912 14.926 1.00 0.00 C ATOM 98 O TYR A 10 -7.754 23.206 15.721 1.00 0.00 O ATOM 99 CB TYR A 10 -9.577 24.883 16.879 1.00 0.00 C ATOM 100 CG TYR A 10 -8.177 25.204 17.405 1.00 0.00 C ATOM 101 CD1 TYR A 10 -7.610 26.437 17.153 1.00 0.00 C ATOM 102 CD2 TYR A 10 -7.480 24.260 18.132 1.00 0.00 C ATOM 103 CE1 TYR A 10 -6.292 26.739 17.648 1.00 0.00 C ATOM 104 CE2 TYR A 10 -6.162 24.562 18.628 1.00 0.00 C ATOM 105 CZ TYR A 10 -5.633 25.786 18.361 1.00 0.00 C ATOM 106 OH TYR A 10 -4.388 26.071 18.829 1.00 0.00 O ATOM 0 H TYR A 10 -10.708 22.853 15.325 1.00 0.00 H new ATOM 0 HA TYR A 10 -9.686 25.587 14.806 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.248 25.702 17.139 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.949 23.993 17.386 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.155 27.176 16.584 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.923 23.295 18.329 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.837 27.700 17.458 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.606 23.833 19.199 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.039 25.299 19.321 1.00 0.00 H new ATOM 116 N VAL A 11 -8.028 24.098 13.661 1.00 0.00 N ATOM 117 CA VAL A 11 -6.850 23.455 13.104 1.00 0.00 C ATOM 118 C VAL A 11 -7.067 21.941 13.072 1.00 0.00 C ATOM 119 O VAL A 11 -7.318 21.324 14.106 1.00 0.00 O ATOM 120 CB VAL A 11 -5.607 23.864 13.898 1.00 0.00 C ATOM 121 CG1 VAL A 11 -4.608 22.708 13.986 1.00 0.00 C ATOM 122 CG2 VAL A 11 -4.954 25.108 13.292 1.00 0.00 C ATOM 0 H VAL A 11 -8.544 24.685 13.005 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.686 23.781 12.077 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.923 24.112 14.911 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.734 23.025 14.555 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.077 21.859 14.484 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.301 22.416 12.982 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.073 25.377 13.875 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.659 24.900 12.264 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.664 25.935 13.305 1.00 0.00 H new ATOM 132 N ASP A 12 -6.962 21.386 11.873 1.00 0.00 N ATOM 133 CA ASP A 12 -7.145 19.956 11.692 1.00 0.00 C ATOM 134 C ASP A 12 -6.430 19.513 10.414 1.00 0.00 C ATOM 135 O ASP A 12 -6.946 19.702 9.313 1.00 0.00 O ATOM 136 CB ASP A 12 -8.627 19.603 11.552 1.00 0.00 C ATOM 137 CG ASP A 12 -9.300 19.116 12.837 1.00 0.00 C ATOM 138 OD1 ASP A 12 -8.589 18.477 13.643 1.00 0.00 O ATOM 139 OD2 ASP A 12 -10.509 19.394 12.985 1.00 0.00 O ATOM 0 H ASP A 12 -6.753 21.901 11.018 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.736 19.450 12.567 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.162 20.481 11.190 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.731 18.830 10.790 1.00 0.00 H new ATOM 144 N LEU A 13 -5.255 18.931 10.602 1.00 0.00 N ATOM 145 CA LEU A 13 -4.465 18.459 9.477 1.00 0.00 C ATOM 146 C LEU A 13 -5.326 17.549 8.600 1.00 0.00 C ATOM 147 O LEU A 13 -6.179 16.820 9.105 1.00 0.00 O ATOM 148 CB LEU A 13 -3.175 17.799 9.969 1.00 0.00 C ATOM 149 CG LEU A 13 -2.074 18.750 10.443 1.00 0.00 C ATOM 150 CD1 LEU A 13 -1.488 18.286 11.779 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.995 18.918 9.372 1.00 0.00 C ATOM 0 H LEU A 13 -4.831 18.775 11.516 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.150 19.296 8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.425 17.126 10.789 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.775 17.184 9.163 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.518 19.732 10.608 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.708 18.979 12.094 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.276 18.260 12.532 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.063 17.289 11.663 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.225 19.599 9.735 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.548 17.949 9.151 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.442 19.326 8.466 1.00 0.00 H new ATOM 163 N PRO A 14 -5.067 17.622 7.267 1.00 0.00 N ATOM 164 CA PRO A 14 -5.809 16.813 6.315 1.00 0.00 C ATOM 165 C PRO A 14 -5.350 15.354 6.360 1.00 0.00 C ATOM 166 O PRO A 14 -4.180 15.076 6.619 1.00 0.00 O ATOM 167 CB PRO A 14 -5.566 17.471 4.967 1.00 0.00 C ATOM 168 CG PRO A 14 -4.332 18.340 5.143 1.00 0.00 C ATOM 169 CD PRO A 14 -4.065 18.473 6.634 1.00 0.00 C ATOM 0 HA PRO A 14 -6.875 16.773 6.537 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.409 16.723 4.190 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.425 18.070 4.664 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.475 17.892 4.640 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.488 19.321 4.694 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.055 18.150 6.886 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.160 19.508 6.963 1.00 0.00 H new ATOM 177 N ASN A 15 -6.295 14.461 6.103 1.00 0.00 N ATOM 178 CA ASN A 15 -6.001 13.038 6.111 1.00 0.00 C ATOM 179 C ASN A 15 -7.101 12.291 5.354 1.00 0.00 C ATOM 180 O ASN A 15 -8.276 12.643 5.452 1.00 0.00 O ATOM 181 CB ASN A 15 -5.957 12.493 7.540 1.00 0.00 C ATOM 182 CG ASN A 15 -5.522 13.577 8.527 1.00 0.00 C ATOM 183 OD1 ASN A 15 -4.348 13.868 8.693 1.00 0.00 O ATOM 184 ND2 ASN A 15 -6.530 14.158 9.172 1.00 0.00 N ATOM 0 H ASN A 15 -7.264 14.695 5.888 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.030 12.891 5.639 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.941 12.115 7.819 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.266 11.651 7.591 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.343 14.894 9.853 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.490 13.867 8.986 1.00 0.00 H new ATOM 191 N ARG A 16 -6.682 11.275 4.616 1.00 0.00 N ATOM 192 CA ARG A 16 -7.617 10.475 3.842 1.00 0.00 C ATOM 193 C ARG A 16 -7.130 9.027 3.753 1.00 0.00 C ATOM 194 O ARG A 16 -5.963 8.778 3.455 1.00 0.00 O ATOM 195 CB ARG A 16 -7.785 11.037 2.429 1.00 0.00 C ATOM 196 CG ARG A 16 -9.077 10.529 1.787 1.00 0.00 C ATOM 197 CD ARG A 16 -10.302 11.192 2.421 1.00 0.00 C ATOM 198 NE ARG A 16 -10.600 12.468 1.732 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.732 13.166 1.900 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.678 12.716 2.736 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.916 14.313 1.234 1.00 0.00 N ATOM 0 H ARG A 16 -5.707 10.986 4.537 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.581 10.507 4.350 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.797 12.126 2.466 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.932 10.748 1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.061 10.735 0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.144 9.447 1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.161 10.525 2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.120 11.375 3.480 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.900 12.839 1.089 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.536 11.843 3.244 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.540 13.247 2.864 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.195 14.655 0.599 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.777 14.844 1.362 1.00 0.00 H new ATOM 215 N GLN A 17 -8.049 8.110 4.017 1.00 0.00 N ATOM 216 CA GLN A 17 -7.728 6.694 3.971 1.00 0.00 C ATOM 217 C GLN A 17 -8.785 5.936 3.164 1.00 0.00 C ATOM 218 O GLN A 17 -9.965 5.956 3.509 1.00 0.00 O ATOM 219 CB GLN A 17 -7.595 6.115 5.381 1.00 0.00 C ATOM 220 CG GLN A 17 -8.969 5.812 5.981 1.00 0.00 C ATOM 221 CD GLN A 17 -8.896 5.735 7.507 1.00 0.00 C ATOM 222 OE1 GLN A 17 -7.960 5.206 8.084 1.00 0.00 O ATOM 223 NE2 GLN A 17 -9.933 6.292 8.127 1.00 0.00 N ATOM 0 H GLN A 17 -9.016 8.320 4.264 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.765 6.576 3.474 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.999 5.203 5.349 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.063 6.821 6.019 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.677 6.586 5.686 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.344 4.869 5.583 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.684 6.718 7.583 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.977 6.293 9.146 1.00 0.00 H new ATOM 232 N LEU A 18 -8.322 5.287 2.106 1.00 0.00 N ATOM 233 CA LEU A 18 -9.213 4.525 1.248 1.00 0.00 C ATOM 234 C LEU A 18 -9.142 3.045 1.632 1.00 0.00 C ATOM 235 O LEU A 18 -8.210 2.621 2.313 1.00 0.00 O ATOM 236 CB LEU A 18 -8.898 4.793 -0.225 1.00 0.00 C ATOM 237 CG LEU A 18 -8.408 6.203 -0.560 1.00 0.00 C ATOM 238 CD1 LEU A 18 -9.313 7.262 0.072 1.00 0.00 C ATOM 239 CD2 LEU A 18 -6.944 6.385 -0.156 1.00 0.00 C ATOM 0 H LEU A 18 -7.342 5.273 1.824 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.245 4.844 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.140 4.080 -0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.796 4.593 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.462 6.336 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.943 8.255 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.328 7.146 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.314 7.141 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.621 7.396 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.840 6.225 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.326 5.664 -0.692 1.00 0.00 H new ATOM 251 N LYS A 19 -10.140 2.301 1.180 1.00 0.00 N ATOM 252 CA LYS A 19 -10.203 0.878 1.468 1.00 0.00 C ATOM 253 C LYS A 19 -9.977 0.090 0.176 1.00 0.00 C ATOM 254 O LYS A 19 -10.792 0.151 -0.743 1.00 0.00 O ATOM 255 CB LYS A 19 -11.513 0.532 2.178 1.00 0.00 C ATOM 256 CG LYS A 19 -12.710 0.724 1.244 1.00 0.00 C ATOM 257 CD LYS A 19 -13.006 -0.556 0.461 1.00 0.00 C ATOM 258 CE LYS A 19 -14.411 -1.077 0.773 1.00 0.00 C ATOM 259 NZ LYS A 19 -15.325 -0.811 -0.360 1.00 0.00 N ATOM 0 H LYS A 19 -10.912 2.657 0.616 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.409 0.594 2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.481 -0.500 2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.630 1.162 3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.587 1.010 1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.507 1.540 0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.915 -0.362 -0.608 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.268 -1.318 0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.372 -2.148 0.973 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.791 -0.598 1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.274 -1.171 -0.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.375 0.213 -0.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.969 -1.289 -1.213 1.00 0.00 H new ATOM 273 N VAL A 20 -8.866 -0.632 0.148 1.00 0.00 N ATOM 274 CA VAL A 20 -8.523 -1.431 -1.016 1.00 0.00 C ATOM 275 C VAL A 20 -9.101 -2.838 -0.852 1.00 0.00 C ATOM 276 O VAL A 20 -8.673 -3.591 0.020 1.00 0.00 O ATOM 277 CB VAL A 20 -7.007 -1.429 -1.224 1.00 0.00 C ATOM 278 CG1 VAL A 20 -6.619 -2.272 -2.441 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.474 0.000 -1.354 1.00 0.00 C ATOM 0 H VAL A 20 -8.192 -0.680 0.912 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.962 -1.002 -1.916 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.547 -1.880 -0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.536 -2.254 -2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.950 -3.300 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.094 -1.864 -3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.394 -0.026 -1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.945 0.488 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.703 0.558 -0.446 1.00 0.00 H new ATOM 289 N LYS A 21 -10.066 -3.150 -1.705 1.00 0.00 N ATOM 290 CA LYS A 21 -10.708 -4.453 -1.666 1.00 0.00 C ATOM 291 C LYS A 21 -9.790 -5.488 -2.320 1.00 0.00 C ATOM 292 O LYS A 21 -9.851 -5.700 -3.530 1.00 0.00 O ATOM 293 CB LYS A 21 -12.102 -4.383 -2.293 1.00 0.00 C ATOM 294 CG LYS A 21 -13.188 -4.375 -1.216 1.00 0.00 C ATOM 295 CD LYS A 21 -14.580 -4.490 -1.840 1.00 0.00 C ATOM 296 CE LYS A 21 -15.606 -4.962 -0.808 1.00 0.00 C ATOM 297 NZ LYS A 21 -16.979 -4.840 -1.348 1.00 0.00 N ATOM 0 H LYS A 21 -10.419 -2.522 -2.428 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.864 -4.771 -0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.185 -3.485 -2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.249 -5.235 -2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.026 -5.202 -0.525 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.121 -3.456 -0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.883 -3.524 -2.243 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.551 -5.189 -2.676 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.407 -5.999 -0.536 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.513 -4.370 0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.663 -5.165 -0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.172 -3.846 -1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.068 -5.424 -2.204 1.00 0.00 H new ATOM 311 N VAL A 22 -8.962 -6.106 -1.490 1.00 0.00 N ATOM 312 CA VAL A 22 -8.033 -7.114 -1.973 1.00 0.00 C ATOM 313 C VAL A 22 -8.754 -8.460 -2.070 1.00 0.00 C ATOM 314 O VAL A 22 -9.983 -8.513 -2.052 1.00 0.00 O ATOM 315 CB VAL A 22 -6.798 -7.161 -1.071 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.173 -5.772 -0.924 1.00 0.00 C ATOM 317 CG2 VAL A 22 -7.139 -7.757 0.296 1.00 0.00 C ATOM 0 H VAL A 22 -8.915 -5.928 -0.487 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.680 -6.861 -2.973 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.062 -7.811 -1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.297 -5.834 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.875 -5.401 -1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.901 -5.090 -0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.244 -7.779 0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.901 -7.146 0.779 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.516 -8.772 0.167 1.00 0.00 H new ATOM 327 N ALA A 23 -7.958 -9.514 -2.173 1.00 0.00 N ATOM 328 CA ALA A 23 -8.505 -10.857 -2.273 1.00 0.00 C ATOM 329 C ALA A 23 -7.853 -11.749 -1.215 1.00 0.00 C ATOM 330 O ALA A 23 -8.541 -12.484 -0.508 1.00 0.00 O ATOM 331 CB ALA A 23 -8.297 -11.388 -3.693 1.00 0.00 C ATOM 0 H ALA A 23 -6.939 -9.466 -2.189 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.578 -10.850 -2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.707 -12.395 -3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.804 -10.735 -4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.231 -11.412 -3.920 1.00 0.00 H new ATOM 337 N ASP A 24 -6.533 -11.655 -1.139 1.00 0.00 N ATOM 338 CA ASP A 24 -5.781 -12.445 -0.179 1.00 0.00 C ATOM 339 C ASP A 24 -5.928 -13.929 -0.520 1.00 0.00 C ATOM 340 O ASP A 24 -5.027 -14.527 -1.107 1.00 0.00 O ATOM 341 CB ASP A 24 -6.306 -12.231 1.242 1.00 0.00 C ATOM 342 CG ASP A 24 -5.393 -11.406 2.151 1.00 0.00 C ATOM 343 OD1 ASP A 24 -4.250 -11.143 1.720 1.00 0.00 O ATOM 344 OD2 ASP A 24 -5.859 -11.058 3.258 1.00 0.00 O ATOM 0 H ASP A 24 -5.966 -11.044 -1.726 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.738 -12.133 -0.228 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.277 -11.739 1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.469 -13.205 1.703 1.00 0.00 H new ATOM 349 N ARG A 25 -7.069 -14.481 -0.136 1.00 0.00 N ATOM 350 CA ARG A 25 -7.346 -15.884 -0.393 1.00 0.00 C ATOM 351 C ARG A 25 -6.574 -16.766 0.590 1.00 0.00 C ATOM 352 O ARG A 25 -5.387 -17.024 0.399 1.00 0.00 O ATOM 353 CB ARG A 25 -6.960 -16.269 -1.823 1.00 0.00 C ATOM 354 CG ARG A 25 -7.945 -17.285 -2.403 1.00 0.00 C ATOM 355 CD ARG A 25 -7.634 -17.574 -3.873 1.00 0.00 C ATOM 356 NE ARG A 25 -8.509 -18.658 -4.372 1.00 0.00 N ATOM 357 CZ ARG A 25 -8.226 -19.422 -5.436 1.00 0.00 C ATOM 358 NH1 ARG A 25 -7.091 -19.225 -6.119 1.00 0.00 N ATOM 359 NH2 ARG A 25 -9.079 -20.383 -5.816 1.00 0.00 N ATOM 0 H ARG A 25 -7.813 -13.982 0.352 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.417 -16.039 -0.263 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.940 -15.378 -2.450 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.954 -16.687 -1.831 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.898 -18.210 -1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.962 -16.904 -2.311 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.782 -16.673 -4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.588 -17.860 -3.982 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.382 -18.835 -3.875 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.442 -18.493 -5.829 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.876 -19.807 -6.929 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.943 -20.533 -5.295 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.864 -20.965 -6.626 1.00 0.00 H new ATOM 373 N ARG A 26 -7.280 -17.204 1.622 1.00 0.00 N ATOM 374 CA ARG A 26 -6.677 -18.052 2.636 1.00 0.00 C ATOM 375 C ARG A 26 -5.568 -17.294 3.370 1.00 0.00 C ATOM 376 O ARG A 26 -4.589 -16.872 2.756 1.00 0.00 O ATOM 377 CB ARG A 26 -6.093 -19.323 2.016 1.00 0.00 C ATOM 378 CG ARG A 26 -6.375 -20.542 2.896 1.00 0.00 C ATOM 379 CD ARG A 26 -6.893 -21.714 2.059 1.00 0.00 C ATOM 380 NE ARG A 26 -8.334 -21.533 1.773 1.00 0.00 N ATOM 381 CZ ARG A 26 -9.077 -22.406 1.080 1.00 0.00 C ATOM 382 NH1 ARG A 26 -8.521 -23.526 0.599 1.00 0.00 N ATOM 383 NH2 ARG A 26 -10.377 -22.160 0.868 1.00 0.00 N ATOM 0 H ARG A 26 -8.264 -16.987 1.778 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.459 -18.333 3.342 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.521 -19.478 1.026 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.017 -19.206 1.884 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.464 -20.837 3.417 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -7.109 -20.282 3.659 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.334 -21.780 1.126 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.734 -22.651 2.593 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.790 -20.691 2.126 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.532 -23.714 0.760 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.087 -24.190 0.071 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.801 -21.308 1.234 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.942 -22.825 0.340 1.00 0.00 H new ATOM 397 N VAL A 27 -5.758 -17.146 4.673 1.00 0.00 N ATOM 398 CA VAL A 27 -4.786 -16.447 5.496 1.00 0.00 C ATOM 399 C VAL A 27 -3.887 -17.469 6.195 1.00 0.00 C ATOM 400 O VAL A 27 -4.378 -18.414 6.810 1.00 0.00 O ATOM 401 CB VAL A 27 -5.503 -15.514 6.474 1.00 0.00 C ATOM 402 CG1 VAL A 27 -6.177 -14.357 5.733 1.00 0.00 C ATOM 403 CG2 VAL A 27 -6.515 -16.284 7.324 1.00 0.00 C ATOM 0 H VAL A 27 -6.571 -17.498 5.179 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.145 -15.818 4.879 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.755 -15.092 7.145 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.679 -13.709 6.451 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.424 -13.784 5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.908 -14.753 5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.011 -15.598 8.011 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.258 -16.747 6.675 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.999 -17.057 7.893 1.00 0.00 H new ATOM 413 N ILE A 28 -2.587 -17.244 6.076 1.00 0.00 N ATOM 414 CA ILE A 28 -1.615 -18.134 6.689 1.00 0.00 C ATOM 415 C ILE A 28 -0.209 -17.570 6.477 1.00 0.00 C ATOM 416 O ILE A 28 0.213 -17.357 5.341 1.00 0.00 O ATOM 417 CB ILE A 28 -1.791 -19.561 6.167 1.00 0.00 C ATOM 418 CG1 ILE A 28 -0.692 -20.481 6.704 1.00 0.00 C ATOM 419 CG2 ILE A 28 -1.859 -19.581 4.638 1.00 0.00 C ATOM 420 CD1 ILE A 28 -1.255 -21.859 7.057 1.00 0.00 C ATOM 0 H ILE A 28 -2.184 -16.459 5.565 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.777 -18.191 7.765 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.742 -19.945 6.537 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.096 -20.586 5.958 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.237 -20.033 7.587 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.984 -20.607 4.293 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.704 -18.980 4.304 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.937 -19.170 4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.454 -22.493 7.436 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.026 -21.753 7.821 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.688 -22.314 6.166 1.00 0.00 H new ATOM 432 N SER A 29 0.478 -17.345 7.588 1.00 0.00 N ATOM 433 CA SER A 29 1.828 -16.810 7.537 1.00 0.00 C ATOM 434 C SER A 29 2.374 -16.633 8.955 1.00 0.00 C ATOM 435 O SER A 29 3.421 -17.182 9.294 1.00 0.00 O ATOM 436 CB SER A 29 1.865 -15.478 6.785 1.00 0.00 C ATOM 437 OG SER A 29 3.009 -15.372 5.942 1.00 0.00 O ATOM 0 H SER A 29 0.125 -17.523 8.528 1.00 0.00 H new ATOM 0 HA SER A 29 2.456 -17.519 6.997 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.961 -15.376 6.184 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.866 -14.657 7.502 1.00 0.00 H new ATOM 0 HG SER A 29 2.995 -14.509 5.478 1.00 0.00 H new ATOM 443 N THR A 30 1.639 -15.865 9.747 1.00 0.00 N ATOM 444 CA THR A 30 2.037 -15.609 11.121 1.00 0.00 C ATOM 445 C THR A 30 3.466 -15.064 11.170 1.00 0.00 C ATOM 446 O THR A 30 4.424 -15.830 11.261 1.00 0.00 O ATOM 447 CB THR A 30 1.854 -16.904 11.915 1.00 0.00 C ATOM 448 OG1 THR A 30 0.513 -17.296 11.635 1.00 0.00 O ATOM 449 CG2 THR A 30 1.866 -16.671 13.427 1.00 0.00 C ATOM 0 H THR A 30 0.770 -15.412 9.463 1.00 0.00 H new ATOM 0 HA THR A 30 1.413 -14.840 11.576 1.00 0.00 H new ATOM 0 HB THR A 30 2.644 -17.607 11.650 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.310 -18.129 12.109 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.732 -17.622 13.943 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.819 -16.230 13.720 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.055 -15.995 13.697 1.00 0.00 H new ATOM 457 N THR A 31 3.563 -13.744 11.107 1.00 0.00 N ATOM 458 CA THR A 31 4.859 -13.087 11.143 1.00 0.00 C ATOM 459 C THR A 31 4.771 -11.778 11.931 1.00 0.00 C ATOM 460 O THR A 31 3.798 -11.036 11.804 1.00 0.00 O ATOM 461 CB THR A 31 5.333 -12.897 9.701 1.00 0.00 C ATOM 462 OG1 THR A 31 4.192 -12.375 9.026 1.00 0.00 O ATOM 463 CG2 THR A 31 5.607 -14.226 8.995 1.00 0.00 C ATOM 0 H THR A 31 2.766 -13.112 11.031 1.00 0.00 H new ATOM 0 HA THR A 31 5.597 -13.696 11.665 1.00 0.00 H new ATOM 0 HB THR A 31 6.237 -12.289 9.694 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.412 -12.220 8.084 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.941 -14.034 7.975 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.382 -14.771 9.534 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.694 -14.821 8.972 1.00 0.00 H new ATOM 471 N ASP A 32 5.801 -11.535 12.728 1.00 0.00 N ATOM 472 CA ASP A 32 5.853 -10.329 13.537 1.00 0.00 C ATOM 473 C ASP A 32 7.298 -9.831 13.611 1.00 0.00 C ATOM 474 O ASP A 32 8.065 -10.267 14.469 1.00 0.00 O ATOM 475 CB ASP A 32 5.373 -10.601 14.964 1.00 0.00 C ATOM 476 CG ASP A 32 3.896 -10.295 15.219 1.00 0.00 C ATOM 477 OD1 ASP A 32 3.555 -9.092 15.205 1.00 0.00 O ATOM 478 OD2 ASP A 32 3.141 -11.270 15.422 1.00 0.00 O ATOM 0 H ASP A 32 6.606 -12.153 12.831 1.00 0.00 H new ATOM 0 HA ASP A 32 5.204 -9.585 13.074 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.557 -11.649 15.200 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.975 -10.009 15.653 1.00 0.00 H new ATOM 483 N ALA A 33 7.626 -8.926 12.701 1.00 0.00 N ATOM 484 CA ALA A 33 8.965 -8.364 12.653 1.00 0.00 C ATOM 485 C ALA A 33 9.018 -7.273 11.582 1.00 0.00 C ATOM 486 O ALA A 33 8.282 -7.328 10.597 1.00 0.00 O ATOM 487 CB ALA A 33 9.978 -9.482 12.396 1.00 0.00 C ATOM 0 H ALA A 33 6.987 -8.568 11.991 1.00 0.00 H new ATOM 0 HA ALA A 33 9.222 -7.903 13.606 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.983 -9.061 12.360 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.921 -10.217 13.199 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.753 -9.966 11.446 1.00 0.00 H new ATOM 493 N GLU A 34 9.895 -6.307 11.809 1.00 0.00 N ATOM 494 CA GLU A 34 10.053 -5.204 10.876 1.00 0.00 C ATOM 495 C GLU A 34 11.524 -4.794 10.783 1.00 0.00 C ATOM 496 O GLU A 34 11.966 -3.890 11.490 1.00 0.00 O ATOM 497 CB GLU A 34 9.177 -4.016 11.278 1.00 0.00 C ATOM 498 CG GLU A 34 8.194 -3.657 10.162 1.00 0.00 C ATOM 499 CD GLU A 34 7.544 -2.296 10.421 1.00 0.00 C ATOM 500 OE1 GLU A 34 8.229 -1.283 10.165 1.00 0.00 O ATOM 501 OE2 GLU A 34 6.377 -2.300 10.868 1.00 0.00 O ATOM 0 H GLU A 34 10.504 -6.265 12.626 1.00 0.00 H new ATOM 0 HA GLU A 34 9.726 -5.537 9.891 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.627 -4.256 12.188 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.807 -3.155 11.504 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.716 -3.639 9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.423 -4.424 10.090 1.00 0.00 H new ATOM 508 N ARG A 35 12.242 -5.479 9.905 1.00 0.00 N ATOM 509 CA ARG A 35 13.654 -5.198 9.710 1.00 0.00 C ATOM 510 C ARG A 35 13.846 -4.230 8.541 1.00 0.00 C ATOM 511 O ARG A 35 14.035 -4.656 7.403 1.00 0.00 O ATOM 512 CB ARG A 35 14.438 -6.482 9.434 1.00 0.00 C ATOM 513 CG ARG A 35 15.559 -6.671 10.458 1.00 0.00 C ATOM 514 CD ARG A 35 14.993 -7.054 11.827 1.00 0.00 C ATOM 515 NE ARG A 35 15.882 -6.556 12.900 1.00 0.00 N ATOM 516 CZ ARG A 35 17.110 -7.035 13.141 1.00 0.00 C ATOM 517 NH1 ARG A 35 17.603 -8.027 12.387 1.00 0.00 N ATOM 518 NH2 ARG A 35 17.846 -6.521 14.136 1.00 0.00 N ATOM 0 H ARG A 35 11.872 -6.228 9.320 1.00 0.00 H new ATOM 0 HA ARG A 35 14.032 -4.745 10.627 1.00 0.00 H new ATOM 0 HB2 ARG A 35 13.764 -7.338 9.466 1.00 0.00 H new ATOM 0 HB3 ARG A 35 14.860 -6.446 8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 35 16.244 -7.446 10.114 1.00 0.00 H new ATOM 0 HG3 ARG A 35 16.137 -5.751 10.544 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.994 -6.634 11.947 1.00 0.00 H new ATOM 0 HD3 ARG A 35 14.894 -8.137 11.899 1.00 0.00 H new ATOM 0 HE ARG A 35 15.539 -5.801 13.493 1.00 0.00 H new ATOM 0 HH11 ARG A 35 17.043 -8.418 11.629 1.00 0.00 H new ATOM 0 HH12 ARG A 35 18.538 -8.391 12.571 1.00 0.00 H new ATOM 0 HH21 ARG A 35 17.471 -5.765 14.710 1.00 0.00 H new ATOM 0 HH22 ARG A 35 18.781 -6.885 14.320 1.00 0.00 H new ATOM 532 N GLN A 36 13.791 -2.946 8.863 1.00 0.00 N ATOM 533 CA GLN A 36 13.956 -1.914 7.853 1.00 0.00 C ATOM 534 C GLN A 36 12.709 -1.829 6.972 1.00 0.00 C ATOM 535 O GLN A 36 11.969 -0.847 7.030 1.00 0.00 O ATOM 536 CB GLN A 36 15.207 -2.167 7.010 1.00 0.00 C ATOM 537 CG GLN A 36 16.254 -1.075 7.238 1.00 0.00 C ATOM 538 CD GLN A 36 17.274 -1.046 6.099 1.00 0.00 C ATOM 539 OE1 GLN A 36 18.232 -1.801 6.070 1.00 0.00 O ATOM 540 NE2 GLN A 36 17.017 -0.135 5.165 1.00 0.00 N ATOM 0 H GLN A 36 13.635 -2.597 9.808 1.00 0.00 H new ATOM 0 HA GLN A 36 14.086 -0.957 8.358 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.630 -3.139 7.263 1.00 0.00 H new ATOM 0 HB3 GLN A 36 14.937 -2.202 5.954 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.762 -0.105 7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.766 -1.249 8.185 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.197 0.466 5.250 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.640 -0.037 4.363 1.00 0.00 H new ATOM 549 N ALA A 37 12.513 -2.869 6.176 1.00 0.00 N ATOM 550 CA ALA A 37 11.368 -2.925 5.283 1.00 0.00 C ATOM 551 C ALA A 37 11.029 -4.386 4.985 1.00 0.00 C ATOM 552 O ALA A 37 11.870 -5.269 5.152 1.00 0.00 O ATOM 553 CB ALA A 37 11.671 -2.125 4.014 1.00 0.00 C ATOM 0 H ALA A 37 13.129 -3.681 6.131 1.00 0.00 H new ATOM 0 HA ALA A 37 10.493 -2.474 5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.812 -2.167 3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.875 -1.087 4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 37 12.542 -2.550 3.515 1.00 0.00 H new ATOM 559 N VAL A 38 9.796 -4.598 4.549 1.00 0.00 N ATOM 560 CA VAL A 38 9.336 -5.937 4.226 1.00 0.00 C ATOM 561 C VAL A 38 8.606 -5.911 2.882 1.00 0.00 C ATOM 562 O VAL A 38 8.034 -4.890 2.502 1.00 0.00 O ATOM 563 CB VAL A 38 8.471 -6.483 5.365 1.00 0.00 C ATOM 564 CG1 VAL A 38 9.294 -6.654 6.644 1.00 0.00 C ATOM 565 CG2 VAL A 38 7.257 -5.584 5.610 1.00 0.00 C ATOM 0 H VAL A 38 9.101 -3.864 4.412 1.00 0.00 H new ATOM 0 HA VAL A 38 10.182 -6.616 4.124 1.00 0.00 H new ATOM 0 HB VAL A 38 8.106 -7.466 5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.656 -7.043 7.438 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.111 -7.352 6.460 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.702 -5.689 6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.659 -5.994 6.424 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.594 -4.582 5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.652 -5.535 4.705 1.00 0.00 H new ATOM 575 N THR A 39 8.649 -7.045 2.199 1.00 0.00 N ATOM 576 CA THR A 39 7.999 -7.165 0.905 1.00 0.00 C ATOM 577 C THR A 39 6.575 -6.610 0.970 1.00 0.00 C ATOM 578 O THR A 39 5.984 -6.531 2.046 1.00 0.00 O ATOM 579 CB THR A 39 8.060 -8.633 0.479 1.00 0.00 C ATOM 580 OG1 THR A 39 7.834 -9.355 1.687 1.00 0.00 O ATOM 581 CG2 THR A 39 9.465 -9.060 0.047 1.00 0.00 C ATOM 0 H THR A 39 9.124 -7.890 2.517 1.00 0.00 H new ATOM 0 HA THR A 39 8.512 -6.571 0.149 1.00 0.00 H new ATOM 0 HB THR A 39 7.361 -8.802 -0.340 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.855 -10.317 1.502 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.452 -10.110 -0.245 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.786 -8.452 -0.799 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.158 -8.923 0.877 1.00 0.00 H new ATOM 589 N PRO A 40 6.051 -6.229 -0.226 1.00 0.00 N ATOM 590 CA PRO A 40 6.818 -6.356 -1.453 1.00 0.00 C ATOM 591 C PRO A 40 7.895 -5.272 -1.541 1.00 0.00 C ATOM 592 O PRO A 40 7.683 -4.145 -1.098 1.00 0.00 O ATOM 593 CB PRO A 40 5.791 -6.264 -2.571 1.00 0.00 C ATOM 594 CG PRO A 40 4.558 -5.628 -1.951 1.00 0.00 C ATOM 595 CD PRO A 40 4.719 -5.671 -0.441 1.00 0.00 C ATOM 0 HA PRO A 40 7.367 -7.296 -1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.167 -5.662 -3.398 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.561 -7.251 -2.973 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.446 -4.599 -2.294 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.659 -6.164 -2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.631 -4.676 -0.005 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.951 -6.290 0.022 1.00 0.00 H new ATOM 603 N PRO A 41 9.057 -5.663 -2.130 1.00 0.00 N ATOM 604 CA PRO A 41 10.167 -4.738 -2.282 1.00 0.00 C ATOM 605 C PRO A 41 9.895 -3.734 -3.404 1.00 0.00 C ATOM 606 O PRO A 41 10.239 -3.980 -4.559 1.00 0.00 O ATOM 607 CB PRO A 41 11.377 -5.617 -2.552 1.00 0.00 C ATOM 608 CG PRO A 41 10.825 -6.960 -3.002 1.00 0.00 C ATOM 609 CD PRO A 41 9.343 -6.991 -2.666 1.00 0.00 C ATOM 0 HA PRO A 41 10.327 -4.124 -1.396 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.014 -5.179 -3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.988 -5.726 -1.656 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.977 -7.096 -4.073 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.347 -7.775 -2.501 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.741 -7.199 -3.550 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.118 -7.769 -1.937 1.00 0.00 H new ATOM 617 N GLY A 42 9.280 -2.624 -3.024 1.00 0.00 N ATOM 618 CA GLY A 42 8.959 -1.581 -3.984 1.00 0.00 C ATOM 619 C GLY A 42 7.828 -0.689 -3.466 1.00 0.00 C ATOM 620 O GLY A 42 7.946 0.535 -3.474 1.00 0.00 O ATOM 0 H GLY A 42 8.995 -2.424 -2.065 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.844 -0.976 -4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.666 -2.032 -4.932 1.00 0.00 H new ATOM 624 N LEU A 43 6.759 -1.337 -3.029 1.00 0.00 N ATOM 625 CA LEU A 43 5.609 -0.618 -2.509 1.00 0.00 C ATOM 626 C LEU A 43 6.090 0.553 -1.651 1.00 0.00 C ATOM 627 O LEU A 43 5.737 1.703 -1.909 1.00 0.00 O ATOM 628 CB LEU A 43 4.668 -1.574 -1.772 1.00 0.00 C ATOM 629 CG LEU A 43 3.222 -1.100 -1.611 1.00 0.00 C ATOM 630 CD1 LEU A 43 2.627 -0.685 -2.959 1.00 0.00 C ATOM 631 CD2 LEU A 43 2.371 -2.162 -0.911 1.00 0.00 C ATOM 0 H LEU A 43 6.665 -2.353 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 43 5.023 -0.196 -3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.660 -2.526 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.079 -1.765 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 43 3.222 -0.216 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.599 -0.352 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.216 0.129 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.642 -1.536 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.348 -1.800 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.374 -3.078 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.784 -2.366 0.077 1.00 0.00 H new ATOM 643 N GLN A 44 6.890 0.221 -0.648 1.00 0.00 N ATOM 644 CA GLN A 44 7.424 1.231 0.250 1.00 0.00 C ATOM 645 C GLN A 44 8.205 2.283 -0.540 1.00 0.00 C ATOM 646 O GLN A 44 7.977 3.481 -0.379 1.00 0.00 O ATOM 647 CB GLN A 44 8.299 0.596 1.332 1.00 0.00 C ATOM 648 CG GLN A 44 8.523 1.564 2.495 1.00 0.00 C ATOM 649 CD GLN A 44 7.298 1.614 3.410 1.00 0.00 C ATOM 650 OE1 GLN A 44 6.545 2.574 3.430 1.00 0.00 O ATOM 651 NE2 GLN A 44 7.141 0.530 4.164 1.00 0.00 N ATOM 0 H GLN A 44 7.181 -0.734 -0.437 1.00 0.00 H new ATOM 0 HA GLN A 44 6.589 1.724 0.748 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.826 -0.315 1.699 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.259 0.307 0.905 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.397 1.254 3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.733 2.561 2.108 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.809 -0.238 4.098 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.353 0.467 4.808 1.00 0.00 H new ATOM 660 N GLU A 45 9.111 1.797 -1.376 1.00 0.00 N ATOM 661 CA GLU A 45 9.927 2.681 -2.191 1.00 0.00 C ATOM 662 C GLU A 45 9.038 3.612 -3.018 1.00 0.00 C ATOM 663 O GLU A 45 9.137 4.833 -2.905 1.00 0.00 O ATOM 664 CB GLU A 45 10.870 1.881 -3.091 1.00 0.00 C ATOM 665 CG GLU A 45 12.196 1.596 -2.382 1.00 0.00 C ATOM 666 CD GLU A 45 13.383 1.869 -3.308 1.00 0.00 C ATOM 667 OE1 GLU A 45 13.199 1.697 -4.532 1.00 0.00 O ATOM 668 OE2 GLU A 45 14.447 2.244 -2.771 1.00 0.00 O ATOM 0 H GLU A 45 9.298 0.803 -1.506 1.00 0.00 H new ATOM 0 HA GLU A 45 10.541 3.291 -1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.397 0.941 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.057 2.435 -4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.276 2.217 -1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.220 0.558 -2.051 1.00 0.00 H new ATOM 675 N ALA A 46 8.190 3.000 -3.831 1.00 0.00 N ATOM 676 CA ALA A 46 7.284 3.759 -4.677 1.00 0.00 C ATOM 677 C ALA A 46 6.690 4.916 -3.871 1.00 0.00 C ATOM 678 O ALA A 46 7.046 6.074 -4.086 1.00 0.00 O ATOM 679 CB ALA A 46 6.209 2.827 -5.239 1.00 0.00 C ATOM 0 H ALA A 46 8.111 1.987 -3.922 1.00 0.00 H new ATOM 0 HA ALA A 46 7.819 4.188 -5.525 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.530 3.396 -5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.681 2.040 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.649 2.380 -4.417 1.00 0.00 H new ATOM 685 N ILE A 47 5.794 4.562 -2.961 1.00 0.00 N ATOM 686 CA ILE A 47 5.147 5.557 -2.122 1.00 0.00 C ATOM 687 C ILE A 47 6.213 6.446 -1.479 1.00 0.00 C ATOM 688 O ILE A 47 6.113 7.671 -1.522 1.00 0.00 O ATOM 689 CB ILE A 47 4.217 4.882 -1.112 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.061 4.173 -1.820 1.00 0.00 C ATOM 691 CG2 ILE A 47 3.721 5.885 -0.069 1.00 0.00 C ATOM 692 CD1 ILE A 47 2.677 2.885 -1.089 1.00 0.00 C ATOM 0 H ILE A 47 5.501 3.601 -2.786 1.00 0.00 H new ATOM 0 HA ILE A 47 4.510 6.207 -2.722 1.00 0.00 H new ATOM 0 HB ILE A 47 4.786 4.119 -0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.199 4.838 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.346 3.942 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.062 5.380 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.573 6.304 0.466 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.174 6.686 -0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.853 2.401 -1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.535 2.213 -1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.370 3.122 -0.071 1.00 0.00 H new ATOM 704 N ASN A 48 7.209 5.795 -0.896 1.00 0.00 N ATOM 705 CA ASN A 48 8.292 6.511 -0.244 1.00 0.00 C ATOM 706 C ASN A 48 8.819 7.595 -1.185 1.00 0.00 C ATOM 707 O ASN A 48 9.205 8.675 -0.740 1.00 0.00 O ATOM 708 CB ASN A 48 9.451 5.570 0.091 1.00 0.00 C ATOM 709 CG ASN A 48 10.727 6.359 0.395 1.00 0.00 C ATOM 710 OD1 ASN A 48 10.708 7.396 1.037 1.00 0.00 O ATOM 711 ND2 ASN A 48 11.832 5.811 -0.101 1.00 0.00 N ATOM 0 H ASN A 48 7.289 4.779 -0.862 1.00 0.00 H new ATOM 0 HA ASN A 48 7.903 6.946 0.677 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.187 4.953 0.950 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.628 4.893 -0.745 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.735 6.261 0.047 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.777 4.940 -0.630 1.00 0.00 H new ATOM 718 N ASP A 49 8.820 7.270 -2.470 1.00 0.00 N ATOM 719 CA ASP A 49 9.294 8.204 -3.478 1.00 0.00 C ATOM 720 C ASP A 49 8.278 9.337 -3.636 1.00 0.00 C ATOM 721 O ASP A 49 8.653 10.505 -3.719 1.00 0.00 O ATOM 722 CB ASP A 49 9.449 7.516 -4.835 1.00 0.00 C ATOM 723 CG ASP A 49 10.455 8.173 -5.782 1.00 0.00 C ATOM 724 OD1 ASP A 49 10.098 9.231 -6.343 1.00 0.00 O ATOM 725 OD2 ASP A 49 11.559 7.603 -5.923 1.00 0.00 O ATOM 0 H ASP A 49 8.500 6.373 -2.836 1.00 0.00 H new ATOM 0 HA ASP A 49 10.262 8.587 -3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.751 6.482 -4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.476 7.489 -5.325 1.00 0.00 H new ATOM 730 N LEU A 50 7.010 8.951 -3.672 1.00 0.00 N ATOM 731 CA LEU A 50 5.938 9.920 -3.818 1.00 0.00 C ATOM 732 C LEU A 50 5.884 10.808 -2.573 1.00 0.00 C ATOM 733 O LEU A 50 5.743 12.025 -2.680 1.00 0.00 O ATOM 734 CB LEU A 50 4.616 9.214 -4.127 1.00 0.00 C ATOM 735 CG LEU A 50 4.269 9.059 -5.609 1.00 0.00 C ATOM 736 CD1 LEU A 50 3.418 7.810 -5.845 1.00 0.00 C ATOM 737 CD2 LEU A 50 3.595 10.322 -6.149 1.00 0.00 C ATOM 0 H LEU A 50 6.702 7.981 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 50 6.130 10.574 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.642 8.223 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.811 9.765 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 50 5.197 8.926 -6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.185 7.723 -6.906 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.970 6.927 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.492 7.888 -5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.359 10.186 -7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.677 10.510 -5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.269 11.171 -6.035 1.00 0.00 H new ATOM 749 N VAL A 51 6.000 10.164 -1.421 1.00 0.00 N ATOM 750 CA VAL A 51 5.967 10.879 -0.157 1.00 0.00 C ATOM 751 C VAL A 51 6.988 12.018 -0.193 1.00 0.00 C ATOM 752 O VAL A 51 6.842 13.011 0.518 1.00 0.00 O ATOM 753 CB VAL A 51 6.197 9.906 1.001 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.386 10.659 2.320 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.053 8.897 1.105 1.00 0.00 C ATOM 0 H VAL A 51 6.117 9.154 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 51 4.986 11.327 0.003 1.00 0.00 H new ATOM 0 HB VAL A 51 7.114 9.353 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.548 9.944 3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.250 11.319 2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.495 11.250 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.242 8.217 1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.115 9.426 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.985 8.327 0.178 1.00 0.00 H new ATOM 765 N LYS A 52 8.000 11.836 -1.029 1.00 0.00 N ATOM 766 CA LYS A 52 9.045 12.836 -1.168 1.00 0.00 C ATOM 767 C LYS A 52 8.569 13.938 -2.116 1.00 0.00 C ATOM 768 O LYS A 52 8.870 15.112 -1.910 1.00 0.00 O ATOM 769 CB LYS A 52 10.360 12.181 -1.597 1.00 0.00 C ATOM 770 CG LYS A 52 10.967 11.368 -0.452 1.00 0.00 C ATOM 771 CD LYS A 52 12.481 11.570 -0.378 1.00 0.00 C ATOM 772 CE LYS A 52 13.111 10.631 0.653 1.00 0.00 C ATOM 773 NZ LYS A 52 13.886 9.566 -0.022 1.00 0.00 N ATOM 0 H LYS A 52 8.118 11.011 -1.617 1.00 0.00 H new ATOM 0 HA LYS A 52 9.249 13.309 -0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.184 11.532 -2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.065 12.948 -1.917 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.510 11.666 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.744 10.311 -0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.924 11.389 -1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.701 12.605 -0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.763 11.197 1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.332 10.186 1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.307 8.937 0.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.255 9.016 -0.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.641 9.995 -0.594 1.00 0.00 H new ATOM 787 N LYS A 53 7.832 13.520 -3.135 1.00 0.00 N ATOM 788 CA LYS A 53 7.311 14.456 -4.116 1.00 0.00 C ATOM 789 C LYS A 53 6.510 15.545 -3.399 1.00 0.00 C ATOM 790 O LYS A 53 6.686 16.732 -3.672 1.00 0.00 O ATOM 791 CB LYS A 53 6.515 13.716 -5.193 1.00 0.00 C ATOM 792 CG LYS A 53 7.449 12.965 -6.145 1.00 0.00 C ATOM 793 CD LYS A 53 6.655 12.066 -7.095 1.00 0.00 C ATOM 794 CE LYS A 53 5.389 12.771 -7.586 1.00 0.00 C ATOM 795 NZ LYS A 53 4.865 12.108 -8.801 1.00 0.00 N ATOM 0 H LYS A 53 7.583 12.545 -3.302 1.00 0.00 H new ATOM 0 HA LYS A 53 8.128 14.952 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.827 13.013 -4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.910 14.427 -5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.038 13.679 -6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.152 12.362 -5.570 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.277 11.792 -7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.386 11.140 -6.586 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.631 12.759 -6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.608 13.817 -7.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.953 12.533 -9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.541 12.230 -9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.733 11.094 -8.613 1.00 0.00 H new ATOM 809 N TYR A 54 5.647 15.103 -2.496 1.00 0.00 N ATOM 810 CA TYR A 54 4.819 16.026 -1.739 1.00 0.00 C ATOM 811 C TYR A 54 5.527 16.474 -0.459 1.00 0.00 C ATOM 812 O TYR A 54 6.451 15.810 0.009 1.00 0.00 O ATOM 813 CB TYR A 54 3.556 15.247 -1.363 1.00 0.00 C ATOM 814 CG TYR A 54 2.811 14.654 -2.560 1.00 0.00 C ATOM 815 CD1 TYR A 54 1.956 15.444 -3.302 1.00 0.00 C ATOM 816 CD2 TYR A 54 2.994 13.329 -2.899 1.00 0.00 C ATOM 817 CE1 TYR A 54 1.255 14.886 -4.429 1.00 0.00 C ATOM 818 CE2 TYR A 54 2.293 12.770 -4.026 1.00 0.00 C ATOM 819 CZ TYR A 54 1.458 13.577 -4.735 1.00 0.00 C ATOM 820 OH TYR A 54 0.796 13.049 -5.800 1.00 0.00 O ATOM 0 H TYR A 54 5.503 14.118 -2.272 1.00 0.00 H new ATOM 0 HA TYR A 54 4.601 16.918 -2.327 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.828 14.441 -0.682 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.881 15.909 -0.820 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.813 16.481 -3.037 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.663 12.711 -2.319 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.583 15.493 -5.018 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.427 11.734 -4.302 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.123 12.830 -5.538 1.00 0.00 H new ATOM 830 N THR A 55 5.067 17.598 0.072 1.00 0.00 N ATOM 831 CA THR A 55 5.645 18.143 1.288 1.00 0.00 C ATOM 832 C THR A 55 4.910 17.602 2.516 1.00 0.00 C ATOM 833 O THR A 55 3.687 17.474 2.506 1.00 0.00 O ATOM 834 CB THR A 55 5.613 19.669 1.185 1.00 0.00 C ATOM 835 OG1 THR A 55 6.913 20.012 0.712 1.00 0.00 O ATOM 836 CG2 THR A 55 5.523 20.347 2.553 1.00 0.00 C ATOM 0 H THR A 55 4.300 18.146 -0.318 1.00 0.00 H new ATOM 0 HA THR A 55 6.683 17.833 1.406 1.00 0.00 H new ATOM 0 HB THR A 55 4.764 19.974 0.573 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.980 20.985 0.615 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.503 21.429 2.422 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.612 20.026 3.059 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.389 20.070 3.154 1.00 0.00 H new ATOM 844 N LEU A 56 5.688 17.299 3.545 1.00 0.00 N ATOM 845 CA LEU A 56 5.126 16.774 4.779 1.00 0.00 C ATOM 846 C LEU A 56 4.144 15.648 4.449 1.00 0.00 C ATOM 847 O LEU A 56 3.046 15.596 5.001 1.00 0.00 O ATOM 848 CB LEU A 56 4.512 17.902 5.610 1.00 0.00 C ATOM 849 CG LEU A 56 5.467 18.639 6.551 1.00 0.00 C ATOM 850 CD1 LEU A 56 6.325 17.652 7.345 1.00 0.00 C ATOM 851 CD2 LEU A 56 6.320 19.652 5.783 1.00 0.00 C ATOM 0 H LEU A 56 6.702 17.407 3.550 1.00 0.00 H new ATOM 0 HA LEU A 56 5.910 16.341 5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.071 18.630 4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.697 17.487 6.203 1.00 0.00 H new ATOM 0 HG LEU A 56 4.872 19.200 7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.995 18.202 8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.680 17.005 7.939 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.913 17.045 6.656 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.990 20.162 6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.907 19.133 5.025 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.671 20.383 5.301 1.00 0.00 H new ATOM 863 N ALA A 57 4.575 14.775 3.550 1.00 0.00 N ATOM 864 CA ALA A 57 3.748 13.653 3.140 1.00 0.00 C ATOM 865 C ALA A 57 4.121 12.421 3.966 1.00 0.00 C ATOM 866 O ALA A 57 5.252 12.304 4.437 1.00 0.00 O ATOM 867 CB ALA A 57 3.912 13.420 1.637 1.00 0.00 C ATOM 0 H ALA A 57 5.486 14.822 3.094 1.00 0.00 H new ATOM 0 HA ALA A 57 2.695 13.865 3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.292 12.578 1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.605 14.314 1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.956 13.201 1.415 1.00 0.00 H new ATOM 873 N ARG A 58 3.150 11.532 4.117 1.00 0.00 N ATOM 874 CA ARG A 58 3.363 10.313 4.878 1.00 0.00 C ATOM 875 C ARG A 58 2.265 9.294 4.565 1.00 0.00 C ATOM 876 O ARG A 58 1.080 9.592 4.700 1.00 0.00 O ATOM 877 CB ARG A 58 3.373 10.596 6.382 1.00 0.00 C ATOM 878 CG ARG A 58 4.768 10.379 6.971 1.00 0.00 C ATOM 879 CD ARG A 58 4.790 10.715 8.464 1.00 0.00 C ATOM 880 NE ARG A 58 6.177 10.652 8.976 1.00 0.00 N ATOM 881 CZ ARG A 58 6.495 10.499 10.269 1.00 0.00 C ATOM 882 NH1 ARG A 58 5.526 10.391 11.188 1.00 0.00 N ATOM 883 NH2 ARG A 58 7.781 10.453 10.642 1.00 0.00 N ATOM 0 H ARG A 58 2.214 11.632 3.725 1.00 0.00 H new ATOM 0 HA ARG A 58 4.333 9.908 4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.053 11.622 6.565 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.657 9.944 6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.072 9.343 6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.491 11.002 6.444 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.378 11.711 8.627 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.159 10.015 9.012 1.00 0.00 H new ATOM 0 HE ARG A 58 6.939 10.730 8.302 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.547 10.425 10.903 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.767 10.275 12.172 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.518 10.534 9.942 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.023 10.337 11.626 1.00 0.00 H new ATOM 897 N ALA A 59 2.700 8.111 4.154 1.00 0.00 N ATOM 898 CA ALA A 59 1.769 7.047 3.822 1.00 0.00 C ATOM 899 C ALA A 59 2.077 5.819 4.681 1.00 0.00 C ATOM 900 O ALA A 59 3.158 5.716 5.258 1.00 0.00 O ATOM 901 CB ALA A 59 1.852 6.745 2.324 1.00 0.00 C ATOM 0 H ALA A 59 3.684 7.867 4.044 1.00 0.00 H new ATOM 0 HA ALA A 59 0.745 7.352 4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.153 5.946 2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.597 7.641 1.758 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.865 6.433 2.071 1.00 0.00 H new ATOM 907 N PHE A 60 1.106 4.919 4.740 1.00 0.00 N ATOM 908 CA PHE A 60 1.260 3.702 5.519 1.00 0.00 C ATOM 909 C PHE A 60 0.311 2.609 5.023 1.00 0.00 C ATOM 910 O PHE A 60 -0.489 2.841 4.117 1.00 0.00 O ATOM 911 CB PHE A 60 0.906 4.050 6.966 1.00 0.00 C ATOM 912 CG PHE A 60 2.013 4.793 7.716 1.00 0.00 C ATOM 913 CD1 PHE A 60 3.308 4.396 7.585 1.00 0.00 C ATOM 914 CD2 PHE A 60 1.704 5.849 8.515 1.00 0.00 C ATOM 915 CE1 PHE A 60 4.335 5.086 8.281 1.00 0.00 C ATOM 916 CE2 PHE A 60 2.731 6.539 9.211 1.00 0.00 C ATOM 917 CZ PHE A 60 4.026 6.142 9.079 1.00 0.00 C ATOM 0 H PHE A 60 0.210 5.008 4.261 1.00 0.00 H new ATOM 0 HA PHE A 60 2.280 3.329 5.428 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.004 4.662 6.971 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.671 3.131 7.503 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.554 3.556 6.952 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.676 6.163 8.620 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.363 4.772 8.176 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.485 7.378 9.845 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.808 6.666 9.608 1.00 0.00 H new ATOM 927 N VAL A 61 0.430 1.442 5.638 1.00 0.00 N ATOM 928 CA VAL A 61 -0.407 0.313 5.270 1.00 0.00 C ATOM 929 C VAL A 61 -0.904 -0.382 6.539 1.00 0.00 C ATOM 930 O VAL A 61 -0.134 -0.605 7.472 1.00 0.00 O ATOM 931 CB VAL A 61 0.360 -0.625 4.336 1.00 0.00 C ATOM 932 CG1 VAL A 61 0.226 -0.178 2.879 1.00 0.00 C ATOM 933 CG2 VAL A 61 1.831 -0.725 4.746 1.00 0.00 C ATOM 0 H VAL A 61 1.094 1.254 6.389 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.285 0.652 4.719 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.080 -1.618 4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.780 -0.862 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.826 -0.183 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.628 0.829 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.353 -1.398 4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.289 0.263 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.900 -1.112 5.763 1.00 0.00 H new ATOM 943 N ARG A 62 -2.189 -0.706 6.534 1.00 0.00 N ATOM 944 CA ARG A 62 -2.798 -1.371 7.673 1.00 0.00 C ATOM 945 C ARG A 62 -3.850 -2.377 7.200 1.00 0.00 C ATOM 946 O ARG A 62 -4.855 -1.995 6.603 1.00 0.00 O ATOM 947 CB ARG A 62 -3.457 -0.360 8.614 1.00 0.00 C ATOM 948 CG ARG A 62 -2.477 0.101 9.695 1.00 0.00 C ATOM 949 CD ARG A 62 -3.170 1.013 10.710 1.00 0.00 C ATOM 950 NE ARG A 62 -2.863 0.563 12.086 1.00 0.00 N ATOM 951 CZ ARG A 62 -1.736 0.869 12.743 1.00 0.00 C ATOM 952 NH1 ARG A 62 -0.801 1.627 12.152 1.00 0.00 N ATOM 953 NH2 ARG A 62 -1.542 0.418 13.989 1.00 0.00 N ATOM 0 H ARG A 62 -2.825 -0.520 5.759 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.008 -1.892 8.214 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.806 0.501 8.043 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.334 -0.809 9.080 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.059 -0.766 10.206 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.644 0.631 9.234 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.838 2.042 10.573 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.248 1.001 10.546 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.553 -0.017 12.564 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.948 1.970 11.203 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.057 1.860 12.652 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.253 -0.159 14.439 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.684 0.652 14.488 1.00 0.00 H new ATOM 967 N PRO A 63 -3.575 -3.676 7.492 1.00 0.00 N ATOM 968 CA PRO A 63 -4.485 -4.740 7.103 1.00 0.00 C ATOM 969 C PRO A 63 -5.720 -4.762 8.007 1.00 0.00 C ATOM 970 O PRO A 63 -6.661 -5.514 7.759 1.00 0.00 O ATOM 971 CB PRO A 63 -3.662 -6.014 7.191 1.00 0.00 C ATOM 972 CG PRO A 63 -2.465 -5.678 8.067 1.00 0.00 C ATOM 973 CD PRO A 63 -2.394 -4.165 8.197 1.00 0.00 C ATOM 0 HA PRO A 63 -4.882 -4.607 6.096 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.246 -6.827 7.623 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.342 -6.341 6.202 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.568 -6.141 9.048 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.547 -6.067 7.625 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.401 -3.857 9.242 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -1.478 -3.772 7.755 1.00 0.00 H new ATOM 981 N SER A 64 -5.675 -3.929 9.037 1.00 0.00 N ATOM 982 CA SER A 64 -6.778 -3.844 9.979 1.00 0.00 C ATOM 983 C SER A 64 -8.111 -3.951 9.234 1.00 0.00 C ATOM 984 O SER A 64 -8.257 -3.417 8.136 1.00 0.00 O ATOM 985 CB SER A 64 -6.720 -2.541 10.779 1.00 0.00 C ATOM 986 OG SER A 64 -6.840 -2.770 12.180 1.00 0.00 O ATOM 0 H SER A 64 -4.892 -3.307 9.240 1.00 0.00 H new ATOM 0 HA SER A 64 -6.693 -4.673 10.681 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.779 -2.031 10.574 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.520 -1.878 10.450 1.00 0.00 H new ATOM 0 HG SER A 64 -6.797 -1.915 12.656 1.00 0.00 H new ATOM 992 N GLY A 65 -9.049 -4.644 9.863 1.00 0.00 N ATOM 993 CA GLY A 65 -10.365 -4.827 9.274 1.00 0.00 C ATOM 994 C GLY A 65 -10.701 -6.313 9.136 1.00 0.00 C ATOM 995 O GLY A 65 -10.201 -6.986 8.235 1.00 0.00 O ATOM 0 H GLY A 65 -8.924 -5.085 10.774 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.116 -4.336 9.893 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.399 -4.350 8.294 1.00 0.00 H new ATOM 999 N THR A 66 -11.547 -6.783 10.041 1.00 0.00 N ATOM 1000 CA THR A 66 -11.956 -8.177 10.031 1.00 0.00 C ATOM 1001 C THR A 66 -12.267 -8.631 8.604 1.00 0.00 C ATOM 1002 O THR A 66 -11.894 -9.733 8.204 1.00 0.00 O ATOM 1003 CB THR A 66 -13.139 -8.329 10.989 1.00 0.00 C ATOM 1004 OG1 THR A 66 -14.152 -7.500 10.425 1.00 0.00 O ATOM 1005 CG2 THR A 66 -12.867 -7.705 12.359 1.00 0.00 C ATOM 0 H THR A 66 -11.960 -6.223 10.786 1.00 0.00 H new ATOM 0 HA THR A 66 -11.153 -8.828 10.377 1.00 0.00 H new ATOM 0 HB THR A 66 -13.372 -9.387 11.112 1.00 0.00 H new ATOM 0 HG1 THR A 66 -14.957 -7.541 10.983 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.738 -7.841 13.000 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.003 -8.189 12.814 1.00 0.00 H new ATOM 0 HG23 THR A 66 -12.666 -6.640 12.240 1.00 0.00 H new ATOM 1013 N GLU A 67 -12.948 -7.759 7.875 1.00 0.00 N ATOM 1014 CA GLU A 67 -13.313 -8.057 6.500 1.00 0.00 C ATOM 1015 C GLU A 67 -12.058 -8.232 5.643 1.00 0.00 C ATOM 1016 O GLU A 67 -10.947 -7.974 6.103 1.00 0.00 O ATOM 1017 CB GLU A 67 -14.222 -6.968 5.927 1.00 0.00 C ATOM 1018 CG GLU A 67 -15.683 -7.424 5.914 1.00 0.00 C ATOM 1019 CD GLU A 67 -16.612 -6.276 5.514 1.00 0.00 C ATOM 1020 OE1 GLU A 67 -16.224 -5.526 4.593 1.00 0.00 O ATOM 1021 OE2 GLU A 67 -17.689 -6.174 6.140 1.00 0.00 O ATOM 0 H GLU A 67 -13.257 -6.846 8.210 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.870 -8.994 6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.126 -6.059 6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.905 -6.721 4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.803 -8.253 5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.961 -7.795 6.901 1.00 0.00 H new ATOM 1028 N ASP A 68 -12.278 -8.668 4.412 1.00 0.00 N ATOM 1029 CA ASP A 68 -11.178 -8.880 3.486 1.00 0.00 C ATOM 1030 C ASP A 68 -10.898 -7.581 2.728 1.00 0.00 C ATOM 1031 O ASP A 68 -10.828 -7.578 1.500 1.00 0.00 O ATOM 1032 CB ASP A 68 -11.523 -9.962 2.460 1.00 0.00 C ATOM 1033 CG ASP A 68 -10.320 -10.585 1.748 1.00 0.00 C ATOM 1034 OD1 ASP A 68 -9.566 -11.307 2.435 1.00 0.00 O ATOM 1035 OD2 ASP A 68 -10.182 -10.324 0.533 1.00 0.00 O ATOM 0 H ASP A 68 -13.201 -8.880 4.034 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.307 -9.194 4.062 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.079 -10.754 2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.187 -9.532 1.710 1.00 0.00 H new ATOM 1040 N ILE A 69 -10.744 -6.510 3.491 1.00 0.00 N ATOM 1041 CA ILE A 69 -10.472 -5.207 2.907 1.00 0.00 C ATOM 1042 C ILE A 69 -9.211 -4.620 3.544 1.00 0.00 C ATOM 1043 O ILE A 69 -8.940 -4.852 4.721 1.00 0.00 O ATOM 1044 CB ILE A 69 -11.700 -4.301 3.025 1.00 0.00 C ATOM 1045 CG1 ILE A 69 -12.972 -5.046 2.616 1.00 0.00 C ATOM 1046 CG2 ILE A 69 -11.508 -3.012 2.224 1.00 0.00 C ATOM 1047 CD1 ILE A 69 -14.220 -4.241 2.985 1.00 0.00 C ATOM 0 H ILE A 69 -10.802 -6.517 4.509 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.275 -5.301 1.839 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.816 -4.016 4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.959 -5.233 1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -13.003 -6.018 3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.395 -2.386 2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -10.639 -2.474 2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -11.354 -3.256 1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -15.111 -4.792 2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -14.242 -4.077 4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -14.198 -3.279 2.472 1.00 0.00 H new ATOM 1059 N VAL A 70 -8.474 -3.871 2.738 1.00 0.00 N ATOM 1060 CA VAL A 70 -7.248 -3.249 3.208 1.00 0.00 C ATOM 1061 C VAL A 70 -7.487 -1.751 3.413 1.00 0.00 C ATOM 1062 O VAL A 70 -8.139 -1.105 2.594 1.00 0.00 O ATOM 1063 CB VAL A 70 -6.105 -3.544 2.234 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -5.003 -2.488 2.346 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -5.542 -4.949 2.458 1.00 0.00 C ATOM 0 H VAL A 70 -8.702 -3.681 1.762 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.953 -3.666 4.171 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.508 -3.502 1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.203 -2.721 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.415 -1.506 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.605 -2.484 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.731 -5.133 1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.163 -5.031 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.331 -5.686 2.304 1.00 0.00 H new ATOM 1075 N ARG A 71 -6.945 -1.243 4.510 1.00 0.00 N ATOM 1076 CA ARG A 71 -7.091 0.166 4.833 1.00 0.00 C ATOM 1077 C ARG A 71 -5.799 0.920 4.515 1.00 0.00 C ATOM 1078 O ARG A 71 -4.779 0.716 5.171 1.00 0.00 O ATOM 1079 CB ARG A 71 -7.436 0.359 6.312 1.00 0.00 C ATOM 1080 CG ARG A 71 -7.040 1.758 6.788 1.00 0.00 C ATOM 1081 CD ARG A 71 -7.462 1.982 8.242 1.00 0.00 C ATOM 1082 NE ARG A 71 -8.935 1.905 8.359 1.00 0.00 N ATOM 1083 CZ ARG A 71 -9.594 1.846 9.524 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -8.915 1.855 10.679 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -10.932 1.777 9.535 1.00 0.00 N ATOM 0 H ARG A 71 -6.404 -1.782 5.186 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.905 0.563 4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.505 0.209 6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.921 -0.392 6.911 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.962 1.886 6.695 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.507 2.509 6.150 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.998 1.233 8.883 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.112 2.956 8.585 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.483 1.896 7.499 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.896 1.907 10.671 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.417 1.810 11.566 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.450 1.769 8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.433 1.732 10.422 1.00 0.00 H new ATOM 1099 N VAL A 72 -5.885 1.777 3.507 1.00 0.00 N ATOM 1100 CA VAL A 72 -4.735 2.563 3.094 1.00 0.00 C ATOM 1101 C VAL A 72 -4.816 3.951 3.731 1.00 0.00 C ATOM 1102 O VAL A 72 -5.817 4.650 3.581 1.00 0.00 O ATOM 1103 CB VAL A 72 -4.655 2.610 1.566 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -3.916 3.864 1.094 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -3.996 1.344 1.013 1.00 0.00 C ATOM 0 H VAL A 72 -6.733 1.944 2.965 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.811 2.100 3.441 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.673 2.655 1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.873 3.873 0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.444 4.751 1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.903 3.863 1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.951 1.402 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.986 1.255 1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.581 0.472 1.306 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.748 4.311 4.429 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.686 5.603 5.089 1.00 0.00 C ATOM 1117 C TYR A 73 -2.656 6.513 4.417 1.00 0.00 C ATOM 1118 O TYR A 73 -1.595 6.053 3.998 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.240 5.322 6.525 1.00 0.00 C ATOM 1120 CG TYR A 73 -3.899 6.225 7.570 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -5.271 6.220 7.718 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -3.122 7.044 8.363 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.892 7.070 8.702 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -3.743 7.893 9.346 1.00 0.00 C ATOM 1125 CZ TYR A 73 -5.097 7.864 9.467 1.00 0.00 C ATOM 1126 OH TYR A 73 -5.683 8.667 10.396 1.00 0.00 O ATOM 0 H TYR A 73 -2.919 3.730 4.551 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.653 6.105 5.042 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.462 4.282 6.766 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.158 5.440 6.588 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.879 5.579 7.097 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.048 7.048 8.246 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.965 7.076 8.829 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.147 8.539 9.973 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.993 9.177 10.869 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.005 7.789 4.335 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.124 8.768 3.721 1.00 0.00 C ATOM 1138 C ALA A 74 -2.489 10.165 4.227 1.00 0.00 C ATOM 1139 O ALA A 74 -3.667 10.486 4.377 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.218 8.656 2.198 1.00 0.00 C ATOM 0 H ALA A 74 -3.886 8.167 4.684 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.087 8.578 3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.557 9.390 1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.920 7.655 1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.244 8.843 1.882 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.458 10.958 4.476 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.656 12.313 4.962 1.00 0.00 C ATOM 1148 C GLU A 75 -0.729 13.282 4.225 1.00 0.00 C ATOM 1149 O GLU A 75 0.056 12.868 3.373 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.439 12.391 6.474 1.00 0.00 C ATOM 1151 CG GLU A 75 0.052 12.360 6.817 1.00 0.00 C ATOM 1152 CD GLU A 75 0.266 12.355 8.332 1.00 0.00 C ATOM 1153 OE1 GLU A 75 0.301 11.240 8.896 1.00 0.00 O ATOM 1154 OE2 GLU A 75 0.390 13.466 8.891 1.00 0.00 O ATOM 0 H GLU A 75 -0.482 10.688 4.350 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.687 12.603 4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.886 13.306 6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.945 11.557 6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.511 11.474 6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.548 13.226 6.379 1.00 0.00 H new ATOM 1161 N ALA A 76 -0.850 14.552 4.579 1.00 0.00 N ATOM 1162 CA ALA A 76 -0.033 15.583 3.962 1.00 0.00 C ATOM 1163 C ALA A 76 -0.344 16.932 4.614 1.00 0.00 C ATOM 1164 O ALA A 76 -1.411 17.112 5.200 1.00 0.00 O ATOM 1165 CB ALA A 76 -0.279 15.594 2.452 1.00 0.00 C ATOM 0 H ALA A 76 -1.502 14.891 5.286 1.00 0.00 H new ATOM 0 HA ALA A 76 1.026 15.378 4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.334 16.367 1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.015 14.623 2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.331 15.800 2.256 1.00 0.00 H new ATOM 1171 N ASN A 77 0.607 17.847 4.489 1.00 0.00 N ATOM 1172 CA ASN A 77 0.447 19.174 5.058 1.00 0.00 C ATOM 1173 C ASN A 77 -0.559 19.966 4.220 1.00 0.00 C ATOM 1174 O ASN A 77 -0.931 21.081 4.582 1.00 0.00 O ATOM 1175 CB ASN A 77 1.773 19.938 5.052 1.00 0.00 C ATOM 1176 CG ASN A 77 1.556 21.415 5.388 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.939 21.768 6.380 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.096 22.255 4.510 1.00 0.00 N ATOM 0 H ASN A 77 1.490 17.695 4.002 1.00 0.00 H new ATOM 0 HA ASN A 77 0.099 19.062 6.085 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.456 19.493 5.775 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.244 19.849 4.073 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.006 23.262 4.646 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.600 21.892 3.701 1.00 0.00 H new ATOM 1185 N SER A 78 -0.970 19.359 3.117 1.00 0.00 N ATOM 1186 CA SER A 78 -1.925 19.994 2.225 1.00 0.00 C ATOM 1187 C SER A 78 -3.172 19.118 2.086 1.00 0.00 C ATOM 1188 O SER A 78 -3.150 17.939 2.436 1.00 0.00 O ATOM 1189 CB SER A 78 -1.306 20.257 0.851 1.00 0.00 C ATOM 1190 OG SER A 78 0.015 20.782 0.953 1.00 0.00 O ATOM 0 H SER A 78 -0.659 18.434 2.820 1.00 0.00 H new ATOM 0 HA SER A 78 -2.208 20.955 2.655 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.284 19.329 0.279 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.933 20.957 0.299 1.00 0.00 H new ATOM 0 HG SER A 78 0.377 20.935 0.055 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.231 19.729 1.574 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.485 19.020 1.385 1.00 0.00 C ATOM 1198 C GLN A 79 -5.447 18.213 0.086 1.00 0.00 C ATOM 1199 O GLN A 79 -5.833 17.045 0.065 1.00 0.00 O ATOM 1200 CB GLN A 79 -6.669 19.989 1.394 1.00 0.00 C ATOM 1201 CG GLN A 79 -6.571 20.964 2.569 1.00 0.00 C ATOM 1202 CD GLN A 79 -7.610 22.080 2.443 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -7.382 23.110 1.831 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -8.761 21.818 3.057 1.00 0.00 N ATOM 0 H GLN A 79 -4.246 20.707 1.284 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.618 18.328 2.216 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.696 20.545 0.457 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.602 19.429 1.459 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.721 20.427 3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.571 21.396 2.606 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.886 20.935 3.552 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.519 22.500 3.033 1.00 0.00 H new ATOM 1213 N GLU A 80 -4.979 18.867 -0.967 1.00 0.00 N ATOM 1214 CA GLU A 80 -4.886 18.225 -2.267 1.00 0.00 C ATOM 1215 C GLU A 80 -4.107 16.912 -2.156 1.00 0.00 C ATOM 1216 O GLU A 80 -4.650 15.840 -2.417 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.244 19.158 -3.295 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.162 19.360 -4.502 1.00 0.00 C ATOM 1219 CD GLU A 80 -4.603 20.428 -5.444 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -3.716 20.068 -6.248 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -5.075 21.581 -5.339 1.00 0.00 O ATOM 0 H GLU A 80 -4.660 19.836 -0.946 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.895 17.998 -2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.029 20.121 -2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.292 18.742 -3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.274 18.418 -5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.155 19.653 -4.163 1.00 0.00 H new ATOM 1228 N SER A 81 -2.846 17.040 -1.768 1.00 0.00 N ATOM 1229 CA SER A 81 -1.988 15.878 -1.620 1.00 0.00 C ATOM 1230 C SER A 81 -2.648 14.855 -0.693 1.00 0.00 C ATOM 1231 O SER A 81 -2.820 13.695 -1.066 1.00 0.00 O ATOM 1232 CB SER A 81 -0.613 16.275 -1.078 1.00 0.00 C ATOM 1233 OG SER A 81 -0.396 17.681 -1.150 1.00 0.00 O ATOM 0 H SER A 81 -2.399 17.931 -1.552 1.00 0.00 H new ATOM 0 HA SER A 81 -1.846 15.430 -2.603 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.523 15.947 -0.042 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.163 15.759 -1.644 1.00 0.00 H new ATOM 0 HG SER A 81 0.198 17.958 -0.421 1.00 0.00 H new ATOM 1239 N ALA A 82 -2.998 15.321 0.497 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.636 14.461 1.479 1.00 0.00 C ATOM 1241 C ALA A 82 -4.658 13.564 0.779 1.00 0.00 C ATOM 1242 O ALA A 82 -4.883 12.429 1.196 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.268 15.320 2.576 1.00 0.00 C ATOM 0 H ALA A 82 -2.852 16.283 0.803 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.901 13.812 1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.747 14.675 3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.495 15.915 3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.013 15.983 2.135 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.251 14.107 -0.274 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.245 13.370 -1.037 1.00 0.00 C ATOM 1251 C ASP A 83 -5.551 12.610 -2.169 1.00 0.00 C ATOM 1252 O ASP A 83 -5.698 11.394 -2.286 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.272 14.316 -1.662 1.00 0.00 C ATOM 1254 CG ASP A 83 -8.666 14.262 -1.035 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -8.756 14.563 0.175 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -9.611 13.921 -1.779 1.00 0.00 O ATOM 0 H ASP A 83 -5.062 15.049 -0.617 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.753 12.685 -0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.896 15.336 -1.588 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.358 14.084 -2.724 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.811 13.357 -2.974 1.00 0.00 N ATOM 1262 CA ARG A 84 -4.095 12.769 -4.093 1.00 0.00 C ATOM 1263 C ARG A 84 -3.223 11.607 -3.613 1.00 0.00 C ATOM 1264 O ARG A 84 -3.434 10.462 -4.011 1.00 0.00 O ATOM 1265 CB ARG A 84 -3.211 13.806 -4.789 1.00 0.00 C ATOM 1266 CG ARG A 84 -3.807 14.218 -6.137 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.876 13.833 -7.288 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.996 14.817 -8.387 1.00 0.00 N ATOM 1269 CZ ARG A 84 -4.081 14.949 -9.162 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -5.146 14.160 -8.964 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -4.101 15.869 -10.136 1.00 0.00 N ATOM 0 H ARG A 84 -4.692 14.365 -2.874 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.836 12.404 -4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.103 14.684 -4.152 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.212 13.396 -4.939 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.776 13.738 -6.272 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.980 15.294 -6.149 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.845 13.793 -6.935 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.127 12.837 -7.652 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.203 15.433 -8.566 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.131 13.459 -8.223 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.972 14.261 -9.554 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.290 16.469 -10.288 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.927 15.969 -10.726 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.261 11.941 -2.765 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.356 10.940 -2.227 1.00 0.00 C ATOM 1287 C LEU A 85 -2.151 9.683 -1.865 1.00 0.00 C ATOM 1288 O LEU A 85 -1.849 8.593 -2.348 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.552 11.516 -1.061 1.00 0.00 C ATOM 1290 CG LEU A 85 0.628 10.671 -0.577 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.638 10.443 -1.704 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.280 11.295 0.659 1.00 0.00 C ATOM 0 H LEU A 85 -2.089 12.891 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.621 10.648 -2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.175 12.496 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.229 11.673 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 85 0.248 9.693 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.467 9.840 -1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.151 9.923 -2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.016 11.404 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.116 10.674 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.643 12.293 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.546 11.363 1.462 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.150 9.878 -1.017 1.00 0.00 N ATOM 1305 CA ALA A 86 -3.990 8.774 -0.585 1.00 0.00 C ATOM 1306 C ALA A 86 -4.461 7.986 -1.809 1.00 0.00 C ATOM 1307 O ALA A 86 -3.959 6.897 -2.081 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.157 9.314 0.244 1.00 0.00 C ATOM 0 H ALA A 86 -3.397 10.784 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.427 8.090 0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.787 8.486 0.568 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.771 9.839 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.746 10.002 -0.362 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.419 8.568 -2.515 1.00 0.00 N ATOM 1315 CA TYR A 87 -5.962 7.934 -3.704 1.00 0.00 C ATOM 1316 C TYR A 87 -4.859 7.252 -4.515 1.00 0.00 C ATOM 1317 O TYR A 87 -5.015 6.109 -4.944 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.571 9.061 -4.542 1.00 0.00 C ATOM 1319 CG TYR A 87 -7.454 8.574 -5.693 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -8.734 8.126 -5.439 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -6.969 8.582 -6.985 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -9.565 7.668 -6.522 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -7.800 8.123 -8.068 1.00 0.00 C ATOM 1324 CZ TYR A 87 -9.057 7.689 -7.783 1.00 0.00 C ATOM 1325 OH TYR A 87 -9.841 7.256 -8.806 1.00 0.00 O ATOM 0 H TYR A 87 -5.833 9.472 -2.286 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.693 7.172 -3.432 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.163 9.705 -3.891 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.766 9.673 -4.949 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.113 8.119 -4.428 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.967 8.932 -7.184 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.569 7.316 -6.337 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -7.433 8.123 -9.084 1.00 0.00 H new ATOM 0 HH TYR A 87 -10.117 6.331 -8.637 1.00 0.00 H new ATOM 1335 N GLU A 88 -3.768 7.980 -4.701 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.639 7.459 -5.452 1.00 0.00 C ATOM 1337 C GLU A 88 -2.142 6.155 -4.826 1.00 0.00 C ATOM 1338 O GLU A 88 -1.988 5.149 -5.518 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.513 8.491 -5.536 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.922 9.679 -6.409 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.908 10.819 -6.294 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -0.742 11.319 -5.160 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -0.321 11.166 -7.342 1.00 0.00 O ATOM 0 H GLU A 88 -3.642 8.927 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.970 7.248 -6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.260 8.841 -4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.617 8.025 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.000 9.361 -7.449 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.908 10.033 -6.109 1.00 0.00 H new ATOM 1350 N VAL A 89 -1.904 6.213 -3.524 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.427 5.049 -2.798 1.00 0.00 C ATOM 1352 C VAL A 89 -2.397 3.885 -3.015 1.00 0.00 C ATOM 1353 O VAL A 89 -2.043 2.886 -3.639 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.233 5.397 -1.320 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -0.943 4.142 -0.495 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -0.126 6.438 -1.144 1.00 0.00 C ATOM 0 H VAL A 89 -2.033 7.048 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.453 4.736 -3.175 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.163 5.831 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.809 4.417 0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.778 3.447 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.034 3.666 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.008 6.668 -0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.811 6.043 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.391 7.346 -1.685 1.00 0.00 H new ATOM 1366 N SER A 90 -3.601 4.053 -2.487 1.00 0.00 N ATOM 1367 CA SER A 90 -4.623 3.029 -2.616 1.00 0.00 C ATOM 1368 C SER A 90 -4.568 2.407 -4.012 1.00 0.00 C ATOM 1369 O SER A 90 -4.538 1.185 -4.150 1.00 0.00 O ATOM 1370 CB SER A 90 -6.015 3.604 -2.346 1.00 0.00 C ATOM 1371 OG SER A 90 -6.205 4.865 -2.983 1.00 0.00 O ATOM 0 H SER A 90 -3.891 4.883 -1.969 1.00 0.00 H new ATOM 0 HA SER A 90 -4.428 2.256 -1.873 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.771 2.903 -2.698 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.159 3.715 -1.271 1.00 0.00 H new ATOM 0 HG SER A 90 -5.443 5.053 -3.570 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.557 3.275 -5.013 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.506 2.826 -6.393 1.00 0.00 C ATOM 1379 C LEU A 91 -3.202 2.060 -6.628 1.00 0.00 C ATOM 1380 O LEU A 91 -3.216 0.951 -7.161 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.707 4.004 -7.348 1.00 0.00 C ATOM 1382 CG LEU A 91 -6.135 4.222 -7.853 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -6.478 5.712 -7.902 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -6.349 3.539 -9.205 1.00 0.00 C ATOM 0 H LEU A 91 -4.583 4.288 -4.895 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.324 2.135 -6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.378 4.914 -6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.056 3.862 -8.210 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.822 3.757 -7.146 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.498 5.839 -8.264 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.392 6.138 -6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.788 6.222 -8.574 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.372 3.710 -9.541 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.653 3.952 -9.935 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.174 2.468 -9.103 1.00 0.00 H new ATOM 1396 N LEU A 92 -2.106 2.682 -6.219 1.00 0.00 N ATOM 1397 CA LEU A 92 -0.796 2.073 -6.378 1.00 0.00 C ATOM 1398 C LEU A 92 -0.860 0.612 -5.927 1.00 0.00 C ATOM 1399 O LEU A 92 -0.385 -0.279 -6.629 1.00 0.00 O ATOM 1400 CB LEU A 92 0.269 2.895 -5.650 1.00 0.00 C ATOM 1401 CG LEU A 92 0.834 4.092 -6.419 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.724 4.951 -5.519 1.00 0.00 C ATOM 1403 CD2 LEU A 92 1.566 3.635 -7.682 1.00 0.00 C ATOM 0 H LEU A 92 -2.098 3.602 -5.778 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.502 2.071 -7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.157 3.258 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.095 2.233 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 92 0.001 4.718 -6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.112 5.794 -6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.140 5.321 -4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.555 4.350 -5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.958 4.504 -8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.389 2.976 -7.407 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.873 3.099 -8.330 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.450 0.412 -4.758 1.00 0.00 N ATOM 1416 CA VAL A 93 -1.582 -0.925 -4.205 1.00 0.00 C ATOM 1417 C VAL A 93 -2.196 -1.850 -5.258 1.00 0.00 C ATOM 1418 O VAL A 93 -1.542 -2.778 -5.731 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.391 -0.877 -2.907 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.298 -2.206 -2.154 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -1.940 0.287 -2.022 1.00 0.00 C ATOM 0 H VAL A 93 -1.842 1.154 -4.178 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.603 -1.330 -3.948 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.436 -0.713 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.882 -2.145 -1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.690 -3.007 -2.781 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.256 -2.413 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.531 0.298 -1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.886 0.167 -1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.081 1.226 -2.556 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.445 -1.564 -5.594 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.154 -2.358 -6.583 1.00 0.00 C ATOM 1433 C PHE A 94 -3.249 -2.690 -7.771 1.00 0.00 C ATOM 1434 O PHE A 94 -3.412 -3.729 -8.409 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.331 -1.513 -7.075 1.00 0.00 C ATOM 1436 CG PHE A 94 -6.513 -2.335 -7.592 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -6.361 -3.133 -8.682 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -7.717 -2.267 -6.962 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -7.459 -3.896 -9.163 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -8.814 -3.029 -7.442 1.00 0.00 C ATOM 1441 CZ PHE A 94 -8.662 -3.828 -8.533 1.00 0.00 C ATOM 0 H PHE A 94 -3.984 -0.794 -5.199 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.484 -3.297 -6.139 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.674 -0.876 -6.260 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.984 -0.854 -7.871 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -5.405 -3.187 -9.182 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.838 -1.633 -6.096 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.338 -4.530 -10.029 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -9.769 -2.975 -6.941 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.497 -4.408 -8.898 1.00 0.00 H new ATOM 1451 N GLN A 95 -2.314 -1.788 -8.033 1.00 0.00 N ATOM 1452 CA GLN A 95 -1.383 -1.973 -9.133 1.00 0.00 C ATOM 1453 C GLN A 95 -0.266 -2.936 -8.726 1.00 0.00 C ATOM 1454 O GLN A 95 -0.066 -3.967 -9.367 1.00 0.00 O ATOM 1455 CB GLN A 95 -0.810 -0.632 -9.597 1.00 0.00 C ATOM 1456 CG GLN A 95 -1.608 -0.074 -10.777 1.00 0.00 C ATOM 1457 CD GLN A 95 -0.686 0.266 -11.950 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -0.418 -0.547 -12.818 1.00 0.00 O ATOM 1459 NE2 GLN A 95 -0.218 1.511 -11.927 1.00 0.00 N ATOM 0 H GLN A 95 -2.181 -0.927 -7.502 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.924 -2.409 -9.973 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.828 0.080 -8.772 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.233 -0.759 -9.886 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.353 -0.804 -11.095 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.150 0.819 -10.465 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.482 2.141 -11.170 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.405 1.835 -12.666 1.00 0.00 H new ATOM 1468 N LEU A 96 0.434 -2.565 -7.664 1.00 0.00 N ATOM 1469 CA LEU A 96 1.526 -3.383 -7.165 1.00 0.00 C ATOM 1470 C LEU A 96 0.962 -4.680 -6.582 1.00 0.00 C ATOM 1471 O LEU A 96 0.836 -5.679 -7.288 1.00 0.00 O ATOM 1472 CB LEU A 96 2.384 -2.587 -6.179 1.00 0.00 C ATOM 1473 CG LEU A 96 3.230 -1.463 -6.780 1.00 0.00 C ATOM 1474 CD1 LEU A 96 2.348 -0.304 -7.249 1.00 0.00 C ATOM 1475 CD2 LEU A 96 4.308 -1.002 -5.798 1.00 0.00 C ATOM 0 H LEU A 96 0.266 -1.709 -7.135 1.00 0.00 H new ATOM 0 HA LEU A 96 2.194 -3.664 -7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.728 -2.156 -5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.050 -3.281 -5.665 1.00 0.00 H new ATOM 0 HG LEU A 96 3.742 -1.854 -7.659 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.974 0.482 -7.672 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.651 -0.661 -8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.789 0.094 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.895 -0.203 -6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.837 -0.635 -4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.962 -1.840 -5.556 1.00 0.00 H new ATOM 1487 N ALA A 97 0.636 -4.621 -5.299 1.00 0.00 N ATOM 1488 CA ALA A 97 0.087 -5.779 -4.613 1.00 0.00 C ATOM 1489 C ALA A 97 -0.928 -6.472 -5.523 1.00 0.00 C ATOM 1490 O ALA A 97 -0.662 -7.554 -6.044 1.00 0.00 O ATOM 1491 CB ALA A 97 -0.528 -5.340 -3.282 1.00 0.00 C ATOM 0 H ALA A 97 0.741 -3.790 -4.717 1.00 0.00 H new ATOM 0 HA ALA A 97 0.873 -6.499 -4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.940 -6.208 -2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.240 -4.880 -2.660 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.323 -4.618 -3.469 1.00 0.00 H new ATOM 1497 N GLY A 98 -2.070 -5.821 -5.687 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.126 -6.361 -6.526 1.00 0.00 C ATOM 1499 C GLY A 98 -4.476 -6.314 -5.807 1.00 0.00 C ATOM 1500 O GLY A 98 -4.673 -6.998 -4.803 1.00 0.00 O ATOM 0 H GLY A 98 -2.287 -4.924 -5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.184 -5.793 -7.454 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.890 -7.390 -6.797 1.00 0.00 H new ATOM 1504 N GLY A 99 -5.371 -5.500 -6.347 1.00 0.00 N ATOM 1505 CA GLY A 99 -6.696 -5.355 -5.770 1.00 0.00 C ATOM 1506 C GLY A 99 -7.750 -6.051 -6.633 1.00 0.00 C ATOM 1507 O GLY A 99 -7.542 -6.256 -7.828 1.00 0.00 O ATOM 0 H GLY A 99 -5.204 -4.934 -7.179 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.707 -5.777 -4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.941 -4.297 -5.674 1.00 0.00 H new ATOM 1511 N ILE A 100 -8.858 -6.396 -5.994 1.00 0.00 N ATOM 1512 CA ILE A 100 -9.945 -7.065 -6.689 1.00 0.00 C ATOM 1513 C ILE A 100 -11.244 -6.289 -6.462 1.00 0.00 C ATOM 1514 O ILE A 100 -11.315 -5.437 -5.578 1.00 0.00 O ATOM 1515 CB ILE A 100 -10.025 -8.535 -6.270 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -10.540 -8.668 -4.835 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -8.677 -9.234 -6.462 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -11.729 -9.629 -4.767 1.00 0.00 C ATOM 0 H ILE A 100 -9.027 -6.225 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.762 -7.073 -7.764 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.743 -9.037 -6.918 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.739 -9.028 -4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -10.837 -7.689 -4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -8.761 -10.277 -6.157 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.388 -9.185 -7.512 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.920 -8.738 -5.854 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -12.076 -9.706 -3.737 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.537 -9.253 -5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.422 -10.613 -5.121 1.00 0.00 H new ATOM 1530 N GLY A 101 -12.239 -6.613 -7.275 1.00 0.00 N ATOM 1531 CA GLY A 101 -13.531 -5.957 -7.174 1.00 0.00 C ATOM 1532 C GLY A 101 -13.648 -4.815 -8.186 1.00 0.00 C ATOM 1533 O GLY A 101 -13.325 -4.987 -9.361 1.00 0.00 O ATOM 0 H GLY A 101 -12.176 -7.321 -8.006 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -14.326 -6.683 -7.346 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.667 -5.568 -6.165 1.00 0.00 H new ATOM 1537 N GLU A 102 -14.110 -3.676 -7.694 1.00 0.00 N ATOM 1538 CA GLU A 102 -14.273 -2.506 -8.541 1.00 0.00 C ATOM 1539 C GLU A 102 -13.355 -1.377 -8.070 1.00 0.00 C ATOM 1540 O GLU A 102 -13.676 -0.668 -7.118 1.00 0.00 O ATOM 1541 CB GLU A 102 -15.733 -2.050 -8.571 1.00 0.00 C ATOM 1542 CG GLU A 102 -16.595 -3.020 -9.381 1.00 0.00 C ATOM 1543 CD GLU A 102 -17.476 -2.267 -10.380 1.00 0.00 C ATOM 1544 OE1 GLU A 102 -16.984 -1.252 -10.919 1.00 0.00 O ATOM 1545 OE2 GLU A 102 -18.622 -2.723 -10.582 1.00 0.00 O ATOM 0 H GLU A 102 -14.377 -3.537 -6.719 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.990 -2.776 -9.558 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -16.117 -1.980 -7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -15.797 -1.052 -9.005 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.955 -3.724 -9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -17.221 -3.605 -8.708 1.00 0.00 H new ATOM 1552 N ARG A 103 -12.231 -1.245 -8.758 1.00 0.00 N ATOM 1553 CA ARG A 103 -11.264 -0.214 -8.422 1.00 0.00 C ATOM 1554 C ARG A 103 -11.982 1.080 -8.033 1.00 0.00 C ATOM 1555 O ARG A 103 -13.122 1.306 -8.434 1.00 0.00 O ATOM 1556 CB ARG A 103 -10.325 0.065 -9.597 1.00 0.00 C ATOM 1557 CG ARG A 103 -9.745 -1.236 -10.156 1.00 0.00 C ATOM 1558 CD ARG A 103 -10.383 -1.587 -11.502 1.00 0.00 C ATOM 1559 NE ARG A 103 -9.332 -1.930 -12.486 1.00 0.00 N ATOM 1560 CZ ARG A 103 -8.492 -1.038 -13.029 1.00 0.00 C ATOM 1561 NH1 ARG A 103 -8.574 0.254 -12.686 1.00 0.00 N ATOM 1562 NH2 ARG A 103 -7.570 -1.440 -13.914 1.00 0.00 N ATOM 0 H ARG A 103 -11.968 -1.835 -9.547 1.00 0.00 H new ATOM 0 HA ARG A 103 -10.675 -0.574 -7.579 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -10.866 0.593 -10.382 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.515 0.719 -9.273 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -8.666 -1.135 -10.276 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.913 -2.047 -9.447 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.068 -2.426 -11.381 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -10.972 -0.745 -11.865 1.00 0.00 H new ATOM 0 HE ARG A 103 -9.241 -2.906 -12.768 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -9.276 0.559 -12.012 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.935 0.933 -13.099 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -7.508 -2.424 -14.174 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.930 -0.762 -14.328 1.00 0.00 H new ATOM 1576 N PRO A 104 -11.265 1.918 -7.236 1.00 0.00 N ATOM 1577 CA PRO A 104 -11.821 3.183 -6.789 1.00 0.00 C ATOM 1578 C PRO A 104 -11.827 4.211 -7.922 1.00 0.00 C ATOM 1579 O PRO A 104 -10.905 4.249 -8.735 1.00 0.00 O ATOM 1580 CB PRO A 104 -10.953 3.601 -5.613 1.00 0.00 C ATOM 1581 CG PRO A 104 -9.669 2.797 -5.737 1.00 0.00 C ATOM 1582 CD PRO A 104 -9.911 1.683 -6.742 1.00 0.00 C ATOM 0 HA PRO A 104 -12.865 3.100 -6.487 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.748 4.671 -5.640 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -11.453 3.396 -4.666 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.849 3.436 -6.065 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -9.383 2.383 -4.770 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.183 1.715 -7.552 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.825 0.702 -6.275 1.00 0.00 H new ATOM 1590 N GLN A 105 -12.877 5.019 -7.940 1.00 0.00 N ATOM 1591 CA GLN A 105 -13.015 6.044 -8.961 1.00 0.00 C ATOM 1592 C GLN A 105 -13.228 7.413 -8.312 1.00 0.00 C ATOM 1593 O GLN A 105 -13.712 7.501 -7.185 1.00 0.00 O ATOM 1594 CB GLN A 105 -14.157 5.710 -9.923 1.00 0.00 C ATOM 1595 CG GLN A 105 -15.505 5.722 -9.199 1.00 0.00 C ATOM 1596 CD GLN A 105 -16.019 4.299 -8.973 1.00 0.00 C ATOM 1597 OE1 GLN A 105 -15.819 3.404 -9.777 1.00 0.00 O ATOM 1598 NE2 GLN A 105 -16.692 4.142 -7.836 1.00 0.00 N ATOM 0 H GLN A 105 -13.640 4.985 -7.264 1.00 0.00 H new ATOM 0 HA GLN A 105 -12.093 6.078 -9.542 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -14.172 6.432 -10.740 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -13.988 4.729 -10.368 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.403 6.232 -8.241 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.231 6.286 -9.784 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -16.823 4.934 -7.207 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -17.077 3.229 -7.593 1.00 0.00 H new ATOM 1607 N PRO A 106 -12.845 8.474 -9.071 1.00 0.00 N ATOM 1608 CA PRO A 106 -12.989 9.835 -8.582 1.00 0.00 C ATOM 1609 C PRO A 106 -14.451 10.283 -8.630 1.00 0.00 C ATOM 1610 O PRO A 106 -14.952 10.669 -9.686 1.00 0.00 O ATOM 1611 CB PRO A 106 -12.082 10.671 -9.471 1.00 0.00 C ATOM 1612 CG PRO A 106 -11.825 9.830 -10.711 1.00 0.00 C ATOM 1613 CD PRO A 106 -12.268 8.408 -10.411 1.00 0.00 C ATOM 0 HA PRO A 106 -12.703 9.938 -7.535 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -12.555 11.618 -9.732 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -11.149 10.911 -8.961 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -12.375 10.229 -11.563 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -10.768 9.853 -10.975 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -12.999 8.059 -11.140 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -11.427 7.716 -10.446 1.00 0.00 H new ATOM 1621 N SER A 107 -15.095 10.218 -7.474 1.00 0.00 N ATOM 1622 CA SER A 107 -16.490 10.612 -7.371 1.00 0.00 C ATOM 1623 C SER A 107 -16.649 12.082 -7.765 1.00 0.00 C ATOM 1624 O SER A 107 -15.706 12.864 -7.652 1.00 0.00 O ATOM 1625 CB SER A 107 -17.025 10.381 -5.957 1.00 0.00 C ATOM 1626 OG SER A 107 -17.974 9.319 -5.912 1.00 0.00 O ATOM 0 H SER A 107 -14.677 9.898 -6.600 1.00 0.00 H new ATOM 0 HA SER A 107 -17.071 9.994 -8.055 1.00 0.00 H new ATOM 0 HB2 SER A 107 -16.195 10.154 -5.288 1.00 0.00 H new ATOM 0 HB3 SER A 107 -17.488 11.297 -5.591 1.00 0.00 H new ATOM 0 HG SER A 107 -18.290 9.202 -4.992 1.00 0.00 H new ATOM 1632 N GLY A 108 -17.849 12.414 -8.219 1.00 0.00 N ATOM 1633 CA GLY A 108 -18.143 13.776 -8.630 1.00 0.00 C ATOM 1634 C GLY A 108 -17.422 14.123 -9.934 1.00 0.00 C ATOM 1635 O GLY A 108 -16.463 13.454 -10.315 1.00 0.00 O ATOM 0 H GLY A 108 -18.629 11.763 -8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -19.218 13.896 -8.762 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -17.839 14.470 -7.846 1.00 0.00 H new ATOM 1639 N PRO A 109 -17.925 15.197 -10.601 1.00 0.00 N ATOM 1640 CA PRO A 109 -17.340 15.641 -11.855 1.00 0.00 C ATOM 1641 C PRO A 109 -16.016 16.367 -11.615 1.00 0.00 C ATOM 1642 O PRO A 109 -15.900 17.561 -11.886 1.00 0.00 O ATOM 1643 CB PRO A 109 -18.398 16.528 -12.490 1.00 0.00 C ATOM 1644 CG PRO A 109 -19.341 16.923 -11.365 1.00 0.00 C ATOM 1645 CD PRO A 109 -19.060 16.013 -10.180 1.00 0.00 C ATOM 0 HA PRO A 109 -17.084 14.813 -12.517 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -17.946 17.408 -12.948 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -18.931 15.997 -13.278 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -19.190 17.967 -11.089 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -20.379 16.825 -11.684 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -18.823 16.589 -9.285 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -19.925 15.395 -9.941 1.00 0.00 H new ATOM 1653 N SER A 110 -15.049 15.616 -11.108 1.00 0.00 N ATOM 1654 CA SER A 110 -13.736 16.174 -10.828 1.00 0.00 C ATOM 1655 C SER A 110 -13.211 16.918 -12.058 1.00 0.00 C ATOM 1656 O SER A 110 -13.703 16.716 -13.167 1.00 0.00 O ATOM 1657 CB SER A 110 -12.752 15.081 -10.409 1.00 0.00 C ATOM 1658 OG SER A 110 -12.067 15.413 -9.204 1.00 0.00 O ATOM 0 H SER A 110 -15.148 14.626 -10.884 1.00 0.00 H new ATOM 0 HA SER A 110 -13.832 16.876 -10.000 1.00 0.00 H new ATOM 0 HB2 SER A 110 -13.289 14.142 -10.274 1.00 0.00 H new ATOM 0 HB3 SER A 110 -12.026 14.921 -11.206 1.00 0.00 H new ATOM 0 HG SER A 110 -11.449 14.689 -8.969 1.00 0.00 H new ATOM 1664 N SER A 111 -12.219 17.763 -11.819 1.00 0.00 N ATOM 1665 CA SER A 111 -11.622 18.538 -12.893 1.00 0.00 C ATOM 1666 C SER A 111 -10.456 19.368 -12.353 1.00 0.00 C ATOM 1667 O SER A 111 -10.430 19.715 -11.173 1.00 0.00 O ATOM 1668 CB SER A 111 -12.657 19.447 -13.558 1.00 0.00 C ATOM 1669 OG SER A 111 -12.078 20.263 -14.573 1.00 0.00 O ATOM 0 H SER A 111 -11.814 17.928 -10.898 1.00 0.00 H new ATOM 0 HA SER A 111 -11.249 17.846 -13.648 1.00 0.00 H new ATOM 0 HB2 SER A 111 -13.450 18.837 -13.992 1.00 0.00 H new ATOM 0 HB3 SER A 111 -13.120 20.082 -12.803 1.00 0.00 H new ATOM 0 HG SER A 111 -12.771 20.827 -14.974 1.00 0.00 H new ATOM 1675 N GLY A 112 -9.519 19.664 -13.243 1.00 0.00 N ATOM 1676 CA GLY A 112 -8.353 20.447 -12.871 1.00 0.00 C ATOM 1677 C GLY A 112 -8.566 21.929 -13.184 1.00 0.00 C ATOM 1678 O GLY A 112 -8.899 22.714 -12.297 1.00 0.00 O ATOM 0 H GLY A 112 -9.544 19.375 -14.221 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -8.150 20.322 -11.807 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.478 20.080 -13.407 1.00 0.00 H new TER 1682 GLY A 112