USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 867 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 CYS SG : rot -160:sc= 0.813 USER MOD Set 1.2: A 79 CYS SG : rot 103:sc= 0.97 USER MOD Set 1.3: A 93 CYS SG : rot 146:sc= 1.15 USER MOD Set 1.4: A 96 CYS SG : rot -41:sc= 1.36 USER MOD Set 1.5: A 100 ASN : amide:sc= -0.475 K(o=3.8,f=2.1!) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 81:sc= 0.282 USER MOD Single : A 19 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 150:sc=-0.00611 (180deg=-0.885) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.657 K(o=0.66,f=-0.43) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.682) USER MOD Single : A 39 SER OG : rot 22:sc= 0.0285 USER MOD Single : A 41 MET CE :methyl -113:sc= 0 (180deg=-0.265) USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= 0.91 (180deg=0.855) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 78:sc= 1.13 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -3:sc= -0.466 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= 1.29 (180deg=1.23) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -1.45 X(o=-1.4,f=-1.1) USER MOD Single : A 84 LYS NZ :NH3+ -179:sc= 0.982 (180deg=0.953) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HD1:sc=-0.00272 X(o=-0.0027,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -25:sc= 0.0341 USER MOD Single : A 105 GLN : amide:sc= 1.58 K(o=1.6,f=-0.027) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 109 MET CE :methyl -179:sc= -0.445 (180deg=-0.451) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 164:sc= 0 (180deg=-0.494) USER MOD ----------------------------------------------------------------- ATOM 38 N HIS A 4 -14.400 7.267 -2.597 1.00 0.00 N ATOM 39 CA HIS A 4 -13.119 6.622 -2.269 1.00 0.00 C ATOM 40 C HIS A 4 -12.087 6.670 -3.415 1.00 0.00 C ATOM 41 O HIS A 4 -10.889 6.810 -3.164 1.00 0.00 O ATOM 42 CB HIS A 4 -13.382 5.171 -1.837 1.00 0.00 C ATOM 43 CG HIS A 4 -14.335 5.042 -0.671 1.00 0.00 C ATOM 44 ND1 HIS A 4 -15.567 4.424 -0.695 1.00 0.00 N ATOM 45 CD2 HIS A 4 -14.131 5.514 0.598 1.00 0.00 C ATOM 46 CE1 HIS A 4 -16.100 4.521 0.536 1.00 0.00 C ATOM 47 NE2 HIS A 4 -15.260 5.177 1.358 1.00 0.00 N ATOM 0 HA HIS A 4 -12.674 7.189 -1.452 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -13.784 4.617 -2.685 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -12.434 4.704 -1.572 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.260 6.048 0.949 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -17.064 4.129 0.824 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -15.415 5.388 2.344 1.00 0.00 H new ATOM 55 N GLU A 5 -12.556 6.631 -4.668 1.00 0.00 N ATOM 56 CA GLU A 5 -11.758 6.716 -5.903 1.00 0.00 C ATOM 57 C GLU A 5 -10.865 7.971 -5.971 1.00 0.00 C ATOM 58 O GLU A 5 -9.747 7.911 -6.484 1.00 0.00 O ATOM 59 CB GLU A 5 -12.727 6.685 -7.101 1.00 0.00 C ATOM 60 CG GLU A 5 -12.072 6.363 -8.452 1.00 0.00 C ATOM 61 CD GLU A 5 -11.714 4.866 -8.559 1.00 0.00 C ATOM 62 OE1 GLU A 5 -12.574 4.068 -9.004 1.00 0.00 O ATOM 63 OE2 GLU A 5 -10.581 4.478 -8.190 1.00 0.00 O ATOM 0 H GLU A 5 -13.553 6.534 -4.861 1.00 0.00 H new ATOM 0 HA GLU A 5 -11.075 5.866 -5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.502 5.945 -6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.222 7.653 -7.175 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.749 6.636 -9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.171 6.964 -8.574 1.00 0.00 H new ATOM 70 N TYR A 6 -11.333 9.094 -5.410 1.00 0.00 N ATOM 71 CA TYR A 6 -10.618 10.378 -5.371 1.00 0.00 C ATOM 72 C TYR A 6 -10.270 10.855 -3.954 1.00 0.00 C ATOM 73 O TYR A 6 -9.414 11.727 -3.796 1.00 0.00 O ATOM 74 CB TYR A 6 -11.415 11.431 -6.152 1.00 0.00 C ATOM 75 CG TYR A 6 -11.583 11.105 -7.626 1.00 0.00 C ATOM 76 CD1 TYR A 6 -10.446 10.878 -8.425 1.00 0.00 C ATOM 77 CD2 TYR A 6 -12.866 11.043 -8.206 1.00 0.00 C ATOM 78 CE1 TYR A 6 -10.581 10.611 -9.796 1.00 0.00 C ATOM 79 CE2 TYR A 6 -13.009 10.766 -9.580 1.00 0.00 C ATOM 80 CZ TYR A 6 -11.863 10.550 -10.382 1.00 0.00 C ATOM 81 OH TYR A 6 -11.988 10.292 -11.712 1.00 0.00 O ATOM 0 H TYR A 6 -12.246 9.136 -4.957 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.652 10.225 -5.852 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.400 11.537 -5.698 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -10.915 12.395 -6.057 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -9.463 10.910 -7.979 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.742 11.208 -7.596 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.702 10.452 -10.403 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -13.994 10.718 -10.021 1.00 0.00 H new ATOM 0 HH TYR A 6 -12.937 10.283 -11.956 1.00 0.00 H new ATOM 91 N SER A 7 -10.842 10.233 -2.917 1.00 0.00 N ATOM 92 CA SER A 7 -10.408 10.395 -1.524 1.00 0.00 C ATOM 93 C SER A 7 -8.919 10.063 -1.372 1.00 0.00 C ATOM 94 O SER A 7 -8.163 10.871 -0.834 1.00 0.00 O ATOM 95 CB SER A 7 -11.260 9.517 -0.601 1.00 0.00 C ATOM 96 OG SER A 7 -10.957 9.757 0.763 1.00 0.00 O ATOM 0 H SER A 7 -11.630 9.594 -3.023 1.00 0.00 H new ATOM 0 HA SER A 7 -10.547 11.437 -1.237 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.317 9.715 -0.781 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.088 8.466 -0.834 1.00 0.00 H new ATOM 0 HG SER A 7 -11.517 9.184 1.328 1.00 0.00 H new ATOM 102 N VAL A 8 -8.465 8.924 -1.916 1.00 0.00 N ATOM 103 CA VAL A 8 -7.050 8.502 -1.881 1.00 0.00 C ATOM 104 C VAL A 8 -6.103 9.508 -2.556 1.00 0.00 C ATOM 105 O VAL A 8 -5.058 9.852 -2.004 1.00 0.00 O ATOM 106 CB VAL A 8 -6.895 7.073 -2.439 1.00 0.00 C ATOM 107 CG1 VAL A 8 -7.073 6.946 -3.952 1.00 0.00 C ATOM 108 CG2 VAL A 8 -5.551 6.471 -2.045 1.00 0.00 C ATOM 0 H VAL A 8 -9.073 8.261 -2.398 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.744 8.485 -0.835 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.716 6.519 -1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.945 5.905 -4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.072 7.282 -4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.329 7.561 -4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.470 5.463 -2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.745 7.089 -2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.475 6.430 -0.958 1.00 0.00 H new ATOM 118 N VAL A 9 -6.496 10.032 -3.722 1.00 0.00 N ATOM 119 CA VAL A 9 -5.781 11.041 -4.516 1.00 0.00 C ATOM 120 C VAL A 9 -5.622 12.343 -3.726 1.00 0.00 C ATOM 121 O VAL A 9 -4.503 12.789 -3.476 1.00 0.00 O ATOM 122 CB VAL A 9 -6.558 11.283 -5.822 1.00 0.00 C ATOM 123 CG1 VAL A 9 -5.888 12.308 -6.737 1.00 0.00 C ATOM 124 CG2 VAL A 9 -6.715 9.989 -6.633 1.00 0.00 C ATOM 0 H VAL A 9 -7.371 9.748 -4.163 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.780 10.679 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.528 11.663 -5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.484 12.434 -7.641 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.810 13.263 -6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.891 11.959 -7.006 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.269 10.198 -7.548 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.730 9.597 -6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.258 9.252 -6.041 1.00 0.00 H new ATOM 134 N SER A 10 -6.741 12.937 -3.294 1.00 0.00 N ATOM 135 CA SER A 10 -6.771 14.154 -2.473 1.00 0.00 C ATOM 136 C SER A 10 -5.976 13.985 -1.172 1.00 0.00 C ATOM 137 O SER A 10 -5.206 14.870 -0.795 1.00 0.00 O ATOM 138 CB SER A 10 -8.230 14.522 -2.177 1.00 0.00 C ATOM 139 OG SER A 10 -8.327 15.715 -1.417 1.00 0.00 O ATOM 0 H SER A 10 -7.671 12.577 -3.510 1.00 0.00 H new ATOM 0 HA SER A 10 -6.294 14.961 -3.029 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.772 14.643 -3.115 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.708 13.706 -1.636 1.00 0.00 H new ATOM 0 HG SER A 10 -9.270 15.920 -1.248 1.00 0.00 H new ATOM 145 N SER A 11 -6.097 12.825 -0.519 1.00 0.00 N ATOM 146 CA SER A 11 -5.383 12.489 0.724 1.00 0.00 C ATOM 147 C SER A 11 -3.861 12.508 0.539 1.00 0.00 C ATOM 148 O SER A 11 -3.157 13.181 1.293 1.00 0.00 O ATOM 149 CB SER A 11 -5.850 11.131 1.262 1.00 0.00 C ATOM 150 OG SER A 11 -5.229 10.849 2.505 1.00 0.00 O ATOM 0 H SER A 11 -6.707 12.075 -0.844 1.00 0.00 H new ATOM 0 HA SER A 11 -5.625 13.259 1.457 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.933 11.134 1.382 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.611 10.347 0.543 1.00 0.00 H new ATOM 0 HG SER A 11 -5.539 9.980 2.836 1.00 0.00 H new ATOM 156 N LEU A 12 -3.344 11.834 -0.497 1.00 0.00 N ATOM 157 CA LEU A 12 -1.921 11.832 -0.851 1.00 0.00 C ATOM 158 C LEU A 12 -1.395 13.257 -1.073 1.00 0.00 C ATOM 159 O LEU A 12 -0.369 13.633 -0.505 1.00 0.00 O ATOM 160 CB LEU A 12 -1.721 10.908 -2.069 1.00 0.00 C ATOM 161 CG LEU A 12 -0.287 10.869 -2.640 1.00 0.00 C ATOM 162 CD1 LEU A 12 -0.052 9.534 -3.343 1.00 0.00 C ATOM 163 CD2 LEU A 12 -0.041 11.959 -3.691 1.00 0.00 C ATOM 0 H LEU A 12 -3.914 11.265 -1.123 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.328 11.439 -0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.010 9.895 -1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.401 11.225 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 12 0.383 11.020 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.961 9.508 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.180 8.720 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.769 9.420 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.982 11.885 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.735 11.827 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.195 12.940 -3.241 1.00 0.00 H new ATOM 175 N ILE A 13 -2.099 14.055 -1.880 1.00 0.00 N ATOM 176 CA ILE A 13 -1.730 15.442 -2.207 1.00 0.00 C ATOM 177 C ILE A 13 -1.709 16.323 -0.945 1.00 0.00 C ATOM 178 O ILE A 13 -0.737 17.044 -0.712 1.00 0.00 O ATOM 179 CB ILE A 13 -2.674 15.987 -3.304 1.00 0.00 C ATOM 180 CG1 ILE A 13 -2.474 15.177 -4.605 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.428 17.484 -3.563 1.00 0.00 C ATOM 182 CD1 ILE A 13 -3.539 15.450 -5.668 1.00 0.00 C ATOM 0 H ILE A 13 -2.960 13.752 -2.336 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.716 15.463 -2.605 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.703 15.877 -2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.492 15.408 -5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.477 14.114 -4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.108 17.835 -4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.604 18.046 -2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.398 17.633 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.334 14.847 -6.552 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.522 15.192 -5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.522 16.506 -5.937 1.00 0.00 H new ATOM 194 N ALA A 14 -2.746 16.238 -0.108 1.00 0.00 N ATOM 195 CA ALA A 14 -2.844 16.942 1.172 1.00 0.00 C ATOM 196 C ALA A 14 -1.682 16.602 2.126 1.00 0.00 C ATOM 197 O ALA A 14 -1.050 17.502 2.681 1.00 0.00 O ATOM 198 CB ALA A 14 -4.191 16.603 1.817 1.00 0.00 C ATOM 0 H ALA A 14 -3.563 15.661 -0.308 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.776 18.013 0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.278 17.121 2.772 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.000 16.919 1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.256 15.527 1.981 1.00 0.00 H new ATOM 204 N LEU A 15 -1.385 15.309 2.299 1.00 0.00 N ATOM 205 CA LEU A 15 -0.253 14.811 3.083 1.00 0.00 C ATOM 206 C LEU A 15 1.083 15.356 2.555 1.00 0.00 C ATOM 207 O LEU A 15 1.858 15.917 3.329 1.00 0.00 O ATOM 208 CB LEU A 15 -0.276 13.272 3.077 1.00 0.00 C ATOM 209 CG LEU A 15 -1.333 12.642 4.006 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.427 11.141 3.727 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.991 12.829 5.487 1.00 0.00 C ATOM 0 H LEU A 15 -1.942 14.561 1.885 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.348 15.166 4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.456 12.928 2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.709 12.906 3.368 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.279 13.145 3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.174 10.695 4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.715 10.981 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.459 10.675 3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.765 12.368 6.100 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.031 12.359 5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.933 13.893 5.715 1.00 0.00 H new ATOM 223 N CYS A 16 1.345 15.239 1.248 1.00 0.00 N ATOM 224 CA CYS A 16 2.548 15.780 0.609 1.00 0.00 C ATOM 225 C CYS A 16 2.725 17.286 0.872 1.00 0.00 C ATOM 226 O CYS A 16 3.809 17.715 1.267 1.00 0.00 O ATOM 227 CB CYS A 16 2.516 15.480 -0.896 1.00 0.00 C ATOM 228 SG CYS A 16 2.738 13.701 -1.195 1.00 0.00 S ATOM 0 H CYS A 16 0.721 14.761 0.598 1.00 0.00 H new ATOM 0 HA CYS A 16 3.413 15.287 1.054 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.567 15.810 -1.319 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.302 16.041 -1.401 1.00 0.00 H new ATOM 0 HG CYS A 16 1.605 13.087 -1.023 1.00 0.00 H new ATOM 234 N GLU A 17 1.669 18.088 0.697 1.00 0.00 N ATOM 235 CA GLU A 17 1.661 19.523 1.020 1.00 0.00 C ATOM 236 C GLU A 17 2.009 19.781 2.493 1.00 0.00 C ATOM 237 O GLU A 17 2.939 20.537 2.777 1.00 0.00 O ATOM 238 CB GLU A 17 0.308 20.132 0.615 1.00 0.00 C ATOM 239 CG GLU A 17 0.326 21.663 0.463 1.00 0.00 C ATOM 240 CD GLU A 17 0.387 22.452 1.787 1.00 0.00 C ATOM 241 OE1 GLU A 17 -0.376 22.137 2.732 1.00 0.00 O ATOM 242 OE2 GLU A 17 1.156 23.440 1.858 1.00 0.00 O ATOM 0 H GLU A 17 0.781 17.755 0.321 1.00 0.00 H new ATOM 0 HA GLU A 17 2.443 20.020 0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.010 19.688 -0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.438 19.861 1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.185 21.942 -0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.566 21.969 -0.083 1.00 0.00 H new ATOM 249 N GLU A 18 1.311 19.125 3.425 1.00 0.00 N ATOM 250 CA GLU A 18 1.513 19.278 4.869 1.00 0.00 C ATOM 251 C GLU A 18 2.941 18.921 5.313 1.00 0.00 C ATOM 252 O GLU A 18 3.579 19.695 6.029 1.00 0.00 O ATOM 253 CB GLU A 18 0.456 18.460 5.631 1.00 0.00 C ATOM 254 CG GLU A 18 0.495 18.734 7.140 1.00 0.00 C ATOM 255 CD GLU A 18 -0.661 18.019 7.865 1.00 0.00 C ATOM 256 OE1 GLU A 18 -1.756 18.618 8.009 1.00 0.00 O ATOM 257 OE2 GLU A 18 -0.481 16.861 8.313 1.00 0.00 O ATOM 0 H GLU A 18 0.574 18.459 3.192 1.00 0.00 H new ATOM 0 HA GLU A 18 1.387 20.333 5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.535 18.699 5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.621 17.398 5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.448 18.398 7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.432 19.807 7.319 1.00 0.00 H new ATOM 264 N HIS A 19 3.478 17.785 4.862 1.00 0.00 N ATOM 265 CA HIS A 19 4.866 17.403 5.129 1.00 0.00 C ATOM 266 C HIS A 19 5.862 18.407 4.528 1.00 0.00 C ATOM 267 O HIS A 19 6.832 18.775 5.191 1.00 0.00 O ATOM 268 CB HIS A 19 5.134 15.994 4.585 1.00 0.00 C ATOM 269 CG HIS A 19 4.345 14.896 5.265 1.00 0.00 C ATOM 270 ND1 HIS A 19 4.233 14.692 6.625 1.00 0.00 N ATOM 271 CD2 HIS A 19 3.641 13.901 4.642 1.00 0.00 C ATOM 272 CE1 HIS A 19 3.467 13.603 6.816 1.00 0.00 C ATOM 273 NE2 HIS A 19 3.086 13.085 5.636 1.00 0.00 N ATOM 0 H HIS A 19 2.963 17.105 4.302 1.00 0.00 H new ATOM 0 HA HIS A 19 5.012 17.408 6.209 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.906 15.981 3.519 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.197 15.776 4.686 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.533 13.769 3.576 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.196 13.202 7.781 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.506 12.259 5.492 1.00 0.00 H new ATOM 281 N ALA A 20 5.628 18.886 3.302 1.00 0.00 N ATOM 282 CA ALA A 20 6.536 19.814 2.632 1.00 0.00 C ATOM 283 C ALA A 20 6.604 21.180 3.326 1.00 0.00 C ATOM 284 O ALA A 20 7.707 21.687 3.528 1.00 0.00 O ATOM 285 CB ALA A 20 6.151 19.963 1.162 1.00 0.00 C ATOM 0 H ALA A 20 4.806 18.641 2.750 1.00 0.00 H new ATOM 0 HA ALA A 20 7.537 19.388 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.836 20.657 0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.209 18.992 0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.133 20.346 1.090 1.00 0.00 H new ATOM 291 N LYS A 21 5.475 21.780 3.731 1.00 0.00 N ATOM 292 CA LYS A 21 5.494 23.033 4.515 1.00 0.00 C ATOM 293 C LYS A 21 6.108 22.853 5.909 1.00 0.00 C ATOM 294 O LYS A 21 6.764 23.769 6.405 1.00 0.00 O ATOM 295 CB LYS A 21 4.098 23.679 4.598 1.00 0.00 C ATOM 296 CG LYS A 21 3.082 22.860 5.410 1.00 0.00 C ATOM 297 CD LYS A 21 1.706 23.523 5.594 1.00 0.00 C ATOM 298 CE LYS A 21 1.652 24.619 6.672 1.00 0.00 C ATOM 299 NZ LYS A 21 2.106 25.950 6.183 1.00 0.00 N ATOM 0 H LYS A 21 4.540 21.424 3.532 1.00 0.00 H new ATOM 0 HA LYS A 21 6.145 23.718 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.192 24.669 5.044 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.713 23.820 3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.941 21.897 4.920 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.505 22.658 6.394 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.397 23.955 4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.978 22.751 5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.630 24.705 7.042 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.273 24.319 7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.608 26.700 6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.131 26.044 6.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.897 26.037 5.168 1.00 0.00 H new ATOM 313 N LYS A 22 5.943 21.677 6.532 1.00 0.00 N ATOM 314 CA LYS A 22 6.439 21.387 7.894 1.00 0.00 C ATOM 315 C LYS A 22 7.955 21.180 7.902 1.00 0.00 C ATOM 316 O LYS A 22 8.651 21.668 8.791 1.00 0.00 O ATOM 317 CB LYS A 22 5.683 20.171 8.465 1.00 0.00 C ATOM 318 CG LYS A 22 5.959 19.873 9.949 1.00 0.00 C ATOM 319 CD LYS A 22 5.482 20.995 10.887 1.00 0.00 C ATOM 320 CE LYS A 22 5.638 20.567 12.352 1.00 0.00 C ATOM 321 NZ LYS A 22 5.157 21.621 13.283 1.00 0.00 N ATOM 0 H LYS A 22 5.457 20.889 6.104 1.00 0.00 H new ATOM 0 HA LYS A 22 6.245 22.245 8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.613 20.334 8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.945 19.291 7.878 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.464 18.942 10.225 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.029 19.720 10.090 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.058 21.902 10.703 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.439 21.233 10.680 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.081 19.646 12.524 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.686 20.349 12.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.277 21.298 14.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.706 22.492 13.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.151 21.811 13.102 1.00 0.00 H new ATOM 335 N ASN A 23 8.466 20.526 6.858 1.00 0.00 N ATOM 336 CA ASN A 23 9.895 20.385 6.559 1.00 0.00 C ATOM 337 C ASN A 23 10.495 21.628 5.860 1.00 0.00 C ATOM 338 O ASN A 23 11.692 21.664 5.575 1.00 0.00 O ATOM 339 CB ASN A 23 10.072 19.103 5.720 1.00 0.00 C ATOM 340 CG ASN A 23 11.517 18.627 5.635 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.287 18.697 6.584 1.00 0.00 O ATOM 342 ND2 ASN A 23 11.929 18.098 4.505 1.00 0.00 N ATOM 0 H ASN A 23 7.874 20.061 6.170 1.00 0.00 H new ATOM 0 HA ASN A 23 10.451 20.304 7.493 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.461 18.309 6.150 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.697 19.283 4.712 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.884 17.749 4.423 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.294 18.036 3.709 1.00 0.00 H new ATOM 349 N GLN A 24 9.670 22.648 5.582 1.00 0.00 N ATOM 350 CA GLN A 24 10.005 23.899 4.881 1.00 0.00 C ATOM 351 C GLN A 24 10.599 23.667 3.472 1.00 0.00 C ATOM 352 O GLN A 24 11.340 24.498 2.941 1.00 0.00 O ATOM 353 CB GLN A 24 10.872 24.794 5.791 1.00 0.00 C ATOM 354 CG GLN A 24 10.173 25.159 7.114 1.00 0.00 C ATOM 355 CD GLN A 24 11.165 25.715 8.132 1.00 0.00 C ATOM 356 OE1 GLN A 24 11.440 26.907 8.198 1.00 0.00 O ATOM 357 NE2 GLN A 24 11.749 24.870 8.960 1.00 0.00 N ATOM 0 H GLN A 24 8.688 22.621 5.858 1.00 0.00 H new ATOM 0 HA GLN A 24 9.080 24.439 4.682 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.809 24.282 6.010 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.127 25.709 5.256 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.393 25.896 6.924 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.684 24.276 7.525 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.527 23.875 8.914 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.422 25.211 9.646 1.00 0.00 H new ATOM 366 N ALA A 25 10.281 22.519 2.864 1.00 0.00 N ATOM 367 CA ALA A 25 10.748 22.082 1.552 1.00 0.00 C ATOM 368 C ALA A 25 10.005 22.783 0.401 1.00 0.00 C ATOM 369 O ALA A 25 10.607 23.105 -0.623 1.00 0.00 O ATOM 370 CB ALA A 25 10.549 20.562 1.485 1.00 0.00 C ATOM 0 H ALA A 25 9.659 21.838 3.299 1.00 0.00 H new ATOM 0 HA ALA A 25 11.798 22.347 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.887 20.193 0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.126 20.084 2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.492 20.327 1.614 1.00 0.00 H new ATOM 376 N HIS A 26 8.693 23.008 0.572 1.00 0.00 N ATOM 377 CA HIS A 26 7.760 23.646 -0.377 1.00 0.00 C ATOM 378 C HIS A 26 7.732 23.052 -1.810 1.00 0.00 C ATOM 379 O HIS A 26 7.155 23.647 -2.722 1.00 0.00 O ATOM 380 CB HIS A 26 7.964 25.170 -0.338 1.00 0.00 C ATOM 381 CG HIS A 26 7.854 25.748 1.055 1.00 0.00 C ATOM 382 ND1 HIS A 26 8.896 26.216 1.826 1.00 0.00 N ATOM 383 CD2 HIS A 26 6.706 25.869 1.791 1.00 0.00 C ATOM 384 CE1 HIS A 26 8.387 26.623 3.002 1.00 0.00 C ATOM 385 NE2 HIS A 26 7.058 26.422 3.030 1.00 0.00 N ATOM 0 H HIS A 26 8.222 22.732 1.433 1.00 0.00 H new ATOM 0 HA HIS A 26 6.753 23.409 -0.033 1.00 0.00 H new ATOM 0 HB2 HIS A 26 8.945 25.410 -0.748 1.00 0.00 H new ATOM 0 HB3 HIS A 26 7.225 25.646 -0.982 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.712 25.590 1.475 1.00 0.00 H new ATOM 0 HE1 HIS A 26 8.964 27.050 3.809 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.427 26.632 3.804 1.00 0.00 H new ATOM 393 N LYS A 27 8.321 21.865 -2.005 1.00 0.00 N ATOM 394 CA LYS A 27 8.317 21.019 -3.212 1.00 0.00 C ATOM 395 C LYS A 27 8.365 19.539 -2.812 1.00 0.00 C ATOM 396 O LYS A 27 8.720 19.210 -1.679 1.00 0.00 O ATOM 397 CB LYS A 27 9.534 21.353 -4.102 1.00 0.00 C ATOM 398 CG LYS A 27 9.427 22.724 -4.789 1.00 0.00 C ATOM 399 CD LYS A 27 10.488 22.976 -5.875 1.00 0.00 C ATOM 400 CE LYS A 27 11.903 23.258 -5.343 1.00 0.00 C ATOM 401 NZ LYS A 27 12.655 22.023 -4.991 1.00 0.00 N ATOM 0 H LYS A 27 8.862 21.431 -1.257 1.00 0.00 H new ATOM 0 HA LYS A 27 7.402 21.213 -3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.438 21.329 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.642 20.580 -4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.438 22.816 -5.237 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.508 23.504 -4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.529 22.107 -6.532 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.169 23.821 -6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.463 23.814 -6.095 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.832 23.896 -4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.983 22.085 -4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.034 21.196 -5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.475 21.924 -5.623 1.00 0.00 H new ATOM 415 N ILE A 28 8.085 18.658 -3.769 1.00 0.00 N ATOM 416 CA ILE A 28 8.322 17.207 -3.715 1.00 0.00 C ATOM 417 C ILE A 28 9.140 16.810 -4.953 1.00 0.00 C ATOM 418 O ILE A 28 8.915 17.330 -6.046 1.00 0.00 O ATOM 419 CB ILE A 28 6.978 16.440 -3.670 1.00 0.00 C ATOM 420 CG1 ILE A 28 6.043 16.842 -2.507 1.00 0.00 C ATOM 421 CG2 ILE A 28 7.186 14.915 -3.667 1.00 0.00 C ATOM 422 CD1 ILE A 28 6.527 16.447 -1.108 1.00 0.00 C ATOM 0 H ILE A 28 7.664 18.946 -4.652 1.00 0.00 H new ATOM 0 HA ILE A 28 8.874 16.949 -2.811 1.00 0.00 H new ATOM 0 HB ILE A 28 6.473 16.738 -4.589 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.903 17.923 -2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.066 16.390 -2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.218 14.416 -3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.717 14.618 -4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.771 14.629 -2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.800 16.775 -0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.638 15.364 -1.054 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.488 16.921 -0.908 1.00 0.00 H new ATOM 434 N GLU A 29 10.082 15.882 -4.791 1.00 0.00 N ATOM 435 CA GLU A 29 10.780 15.206 -5.888 1.00 0.00 C ATOM 436 C GLU A 29 9.894 14.053 -6.393 1.00 0.00 C ATOM 437 O GLU A 29 9.345 14.127 -7.495 1.00 0.00 O ATOM 438 CB GLU A 29 12.165 14.739 -5.406 1.00 0.00 C ATOM 439 CG GLU A 29 12.986 14.003 -6.473 1.00 0.00 C ATOM 440 CD GLU A 29 13.280 14.867 -7.718 1.00 0.00 C ATOM 441 OE1 GLU A 29 13.896 15.951 -7.582 1.00 0.00 O ATOM 442 OE2 GLU A 29 12.908 14.458 -8.843 1.00 0.00 O ATOM 0 H GLU A 29 10.390 15.570 -3.870 1.00 0.00 H new ATOM 0 HA GLU A 29 10.954 15.881 -6.726 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.730 15.606 -5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.036 14.082 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.929 13.676 -6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.449 13.106 -6.780 1.00 0.00 H new ATOM 449 N ARG A 30 9.690 13.019 -5.558 1.00 0.00 N ATOM 450 CA ARG A 30 8.770 11.892 -5.803 1.00 0.00 C ATOM 451 C ARG A 30 8.009 11.451 -4.546 1.00 0.00 C ATOM 452 O ARG A 30 8.405 11.756 -3.422 1.00 0.00 O ATOM 453 CB ARG A 30 9.527 10.690 -6.416 1.00 0.00 C ATOM 454 CG ARG A 30 10.141 11.004 -7.789 1.00 0.00 C ATOM 455 CD ARG A 30 10.487 9.757 -8.611 1.00 0.00 C ATOM 456 NE ARG A 30 11.611 8.992 -8.035 1.00 0.00 N ATOM 457 CZ ARG A 30 12.246 7.977 -8.599 1.00 0.00 C ATOM 458 NH1 ARG A 30 11.905 7.511 -9.768 1.00 0.00 N ATOM 459 NH2 ARG A 30 13.247 7.406 -7.995 1.00 0.00 N ATOM 0 H ARG A 30 10.176 12.941 -4.665 1.00 0.00 H new ATOM 0 HA ARG A 30 8.027 12.254 -6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.318 10.379 -5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.842 9.848 -6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.443 11.620 -8.356 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.045 11.596 -7.646 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.609 9.114 -8.675 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.739 10.055 -9.629 1.00 0.00 H new ATOM 0 HE ARG A 30 11.930 9.274 -7.108 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.127 7.930 -10.277 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.416 6.727 -10.173 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.548 7.740 -7.079 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.731 6.624 -8.437 1.00 0.00 H new ATOM 473 N VAL A 31 6.959 10.660 -4.745 1.00 0.00 N ATOM 474 CA VAL A 31 6.238 9.858 -3.741 1.00 0.00 C ATOM 475 C VAL A 31 6.146 8.406 -4.209 1.00 0.00 C ATOM 476 O VAL A 31 5.955 8.145 -5.396 1.00 0.00 O ATOM 477 CB VAL A 31 4.857 10.471 -3.434 1.00 0.00 C ATOM 478 CG1 VAL A 31 3.949 10.647 -4.653 1.00 0.00 C ATOM 479 CG2 VAL A 31 4.078 9.665 -2.388 1.00 0.00 C ATOM 0 H VAL A 31 6.555 10.549 -5.675 1.00 0.00 H new ATOM 0 HA VAL A 31 6.793 9.868 -2.803 1.00 0.00 H new ATOM 0 HB VAL A 31 5.109 11.460 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.001 11.084 -4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.432 11.306 -5.374 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.766 9.676 -5.114 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.113 10.139 -2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.921 8.650 -2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.645 9.632 -1.458 1.00 0.00 H new ATOM 489 N VAL A 32 6.290 7.457 -3.284 1.00 0.00 N ATOM 490 CA VAL A 32 6.320 6.007 -3.531 1.00 0.00 C ATOM 491 C VAL A 32 5.144 5.356 -2.807 1.00 0.00 C ATOM 492 O VAL A 32 4.956 5.569 -1.607 1.00 0.00 O ATOM 493 CB VAL A 32 7.662 5.391 -3.084 1.00 0.00 C ATOM 494 CG1 VAL A 32 7.754 3.919 -3.503 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.867 6.122 -3.698 1.00 0.00 C ATOM 0 H VAL A 32 6.394 7.684 -2.295 1.00 0.00 H new ATOM 0 HA VAL A 32 6.229 5.823 -4.602 1.00 0.00 H new ATOM 0 HB VAL A 32 7.691 5.487 -1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.709 3.507 -3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.940 3.358 -3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.678 3.844 -4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.790 5.654 -3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.813 6.064 -4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.854 7.167 -3.389 1.00 0.00 H new ATOM 505 N VAL A 33 4.328 4.592 -3.537 1.00 0.00 N ATOM 506 CA VAL A 33 3.015 4.098 -3.075 1.00 0.00 C ATOM 507 C VAL A 33 2.833 2.606 -3.359 1.00 0.00 C ATOM 508 O VAL A 33 2.918 2.170 -4.501 1.00 0.00 O ATOM 509 CB VAL A 33 1.879 4.908 -3.728 1.00 0.00 C ATOM 510 CG1 VAL A 33 0.501 4.454 -3.244 1.00 0.00 C ATOM 511 CG2 VAL A 33 1.998 6.397 -3.386 1.00 0.00 C ATOM 0 H VAL A 33 4.559 4.290 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 33 2.977 4.233 -1.994 1.00 0.00 H new ATOM 0 HB VAL A 33 1.975 4.742 -4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.270 5.052 -3.730 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.356 3.403 -3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.434 4.584 -2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.184 6.945 -3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.943 6.528 -2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.952 6.779 -3.749 1.00 0.00 H new ATOM 521 N GLY A 34 2.547 1.824 -2.320 1.00 0.00 N ATOM 522 CA GLY A 34 2.281 0.388 -2.389 1.00 0.00 C ATOM 523 C GLY A 34 0.802 0.086 -2.639 1.00 0.00 C ATOM 524 O GLY A 34 -0.046 0.433 -1.818 1.00 0.00 O ATOM 0 H GLY A 34 2.492 2.188 -1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.880 -0.053 -3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.594 -0.083 -1.457 1.00 0.00 H new ATOM 528 N ILE A 35 0.479 -0.567 -3.757 1.00 0.00 N ATOM 529 CA ILE A 35 -0.876 -1.027 -4.111 1.00 0.00 C ATOM 530 C ILE A 35 -0.873 -2.557 -4.174 1.00 0.00 C ATOM 531 O ILE A 35 -0.052 -3.149 -4.874 1.00 0.00 O ATOM 532 CB ILE A 35 -1.370 -0.389 -5.432 1.00 0.00 C ATOM 533 CG1 ILE A 35 -1.366 1.155 -5.321 1.00 0.00 C ATOM 534 CG2 ILE A 35 -2.780 -0.915 -5.778 1.00 0.00 C ATOM 535 CD1 ILE A 35 -1.950 1.887 -6.531 1.00 0.00 C ATOM 0 H ILE A 35 1.172 -0.801 -4.468 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.581 -0.705 -3.345 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.691 -0.670 -6.237 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.929 1.443 -4.433 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.340 1.492 -5.171 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.120 -0.461 -6.709 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.746 -1.998 -5.894 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.471 -0.658 -4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.905 2.963 -6.362 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.374 1.635 -7.421 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.988 1.585 -6.673 1.00 0.00 H new ATOM 547 N GLY A 36 -1.775 -3.200 -3.429 1.00 0.00 N ATOM 548 CA GLY A 36 -1.858 -4.661 -3.353 1.00 0.00 C ATOM 549 C GLY A 36 -2.250 -5.302 -4.685 1.00 0.00 C ATOM 550 O GLY A 36 -3.107 -4.787 -5.404 1.00 0.00 O ATOM 0 H GLY A 36 -2.472 -2.720 -2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.895 -5.059 -3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.587 -4.940 -2.592 1.00 0.00 H new ATOM 554 N GLU A 37 -1.687 -6.471 -5.000 1.00 0.00 N ATOM 555 CA GLU A 37 -1.955 -7.200 -6.247 1.00 0.00 C ATOM 556 C GLU A 37 -3.415 -7.692 -6.351 1.00 0.00 C ATOM 557 O GLU A 37 -3.880 -8.031 -7.442 1.00 0.00 O ATOM 558 CB GLU A 37 -0.952 -8.356 -6.440 1.00 0.00 C ATOM 559 CG GLU A 37 -0.949 -9.414 -5.323 1.00 0.00 C ATOM 560 CD GLU A 37 -0.526 -10.798 -5.854 1.00 0.00 C ATOM 561 OE1 GLU A 37 0.693 -11.091 -5.896 1.00 0.00 O ATOM 562 OE2 GLU A 37 -1.419 -11.601 -6.225 1.00 0.00 O ATOM 0 H GLU A 37 -1.023 -6.946 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.815 -6.490 -7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.170 -8.851 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.050 -7.936 -6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.269 -9.104 -4.530 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.943 -9.481 -4.882 1.00 0.00 H new ATOM 569 N ARG A 38 -4.152 -7.675 -5.228 1.00 0.00 N ATOM 570 CA ARG A 38 -5.584 -7.981 -5.109 1.00 0.00 C ATOM 571 C ARG A 38 -6.443 -6.792 -4.641 1.00 0.00 C ATOM 572 O ARG A 38 -7.643 -6.959 -4.424 1.00 0.00 O ATOM 573 CB ARG A 38 -5.778 -9.220 -4.210 1.00 0.00 C ATOM 574 CG ARG A 38 -5.007 -10.478 -4.645 1.00 0.00 C ATOM 575 CD ARG A 38 -5.308 -10.981 -6.063 1.00 0.00 C ATOM 576 NE ARG A 38 -4.214 -11.851 -6.526 1.00 0.00 N ATOM 577 CZ ARG A 38 -4.238 -12.884 -7.339 1.00 0.00 C ATOM 578 NH1 ARG A 38 -5.334 -13.349 -7.870 1.00 0.00 N ATOM 579 NH2 ARG A 38 -3.111 -13.459 -7.623 1.00 0.00 N ATOM 0 H ARG A 38 -3.738 -7.433 -4.328 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.947 -8.202 -6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.476 -8.962 -3.195 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.841 -9.460 -4.175 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.939 -10.272 -4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.227 -11.280 -3.940 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.250 -11.530 -6.072 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.425 -10.136 -6.741 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.292 -11.615 -6.158 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.229 -12.908 -7.660 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.296 -14.154 -8.495 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.243 -13.107 -7.219 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.093 -14.263 -8.250 1.00 0.00 H new ATOM 593 N SER A 39 -5.869 -5.588 -4.527 1.00 0.00 N ATOM 594 CA SER A 39 -6.619 -4.342 -4.268 1.00 0.00 C ATOM 595 C SER A 39 -7.480 -3.906 -5.468 1.00 0.00 C ATOM 596 O SER A 39 -8.411 -3.120 -5.299 1.00 0.00 O ATOM 597 CB SER A 39 -5.656 -3.206 -3.895 1.00 0.00 C ATOM 598 OG SER A 39 -5.004 -3.463 -2.663 1.00 0.00 O ATOM 0 H SER A 39 -4.863 -5.445 -4.612 1.00 0.00 H new ATOM 0 HA SER A 39 -7.292 -4.552 -3.437 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.913 -3.084 -4.683 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.207 -2.268 -3.828 1.00 0.00 H new ATOM 0 HG SER A 39 -5.028 -4.424 -2.475 1.00 0.00 H new ATOM 604 N ALA A 40 -7.191 -4.429 -6.670 1.00 0.00 N ATOM 605 CA ALA A 40 -7.939 -4.326 -7.936 1.00 0.00 C ATOM 606 C ALA A 40 -8.234 -2.906 -8.485 1.00 0.00 C ATOM 607 O ALA A 40 -8.851 -2.779 -9.547 1.00 0.00 O ATOM 608 CB ALA A 40 -9.196 -5.203 -7.829 1.00 0.00 C ATOM 0 H ALA A 40 -6.347 -4.989 -6.793 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.265 -4.696 -8.709 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.764 -5.140 -8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.904 -6.238 -7.652 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.814 -4.854 -7.002 1.00 0.00 H new ATOM 614 N MET A 41 -7.793 -1.840 -7.810 1.00 0.00 N ATOM 615 CA MET A 41 -7.918 -0.453 -8.269 1.00 0.00 C ATOM 616 C MET A 41 -7.043 -0.164 -9.501 1.00 0.00 C ATOM 617 O MET A 41 -6.006 -0.794 -9.720 1.00 0.00 O ATOM 618 CB MET A 41 -7.611 0.518 -7.114 1.00 0.00 C ATOM 619 CG MET A 41 -6.180 0.424 -6.563 1.00 0.00 C ATOM 620 SD MET A 41 -5.803 1.591 -5.222 1.00 0.00 S ATOM 621 CE MET A 41 -6.867 0.951 -3.897 1.00 0.00 C ATOM 0 H MET A 41 -7.327 -1.920 -6.906 1.00 0.00 H new ATOM 0 HA MET A 41 -8.949 -0.299 -8.586 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.788 1.537 -7.457 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.312 0.329 -6.301 1.00 0.00 H new ATOM 0 HG2 MET A 41 -6.011 -0.590 -6.202 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.479 0.592 -7.380 1.00 0.00 H new ATOM 0 HE1 MET A 41 -7.652 1.675 -3.679 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.319 0.011 -4.215 1.00 0.00 H new ATOM 0 HE3 MET A 41 -6.270 0.782 -3.001 1.00 0.00 H new ATOM 631 N ASP A 42 -7.449 0.823 -10.297 1.00 0.00 N ATOM 632 CA ASP A 42 -6.736 1.255 -11.501 1.00 0.00 C ATOM 633 C ASP A 42 -5.570 2.194 -11.141 1.00 0.00 C ATOM 634 O ASP A 42 -5.745 3.404 -10.989 1.00 0.00 O ATOM 635 CB ASP A 42 -7.721 1.897 -12.491 1.00 0.00 C ATOM 636 CG ASP A 42 -8.576 0.841 -13.210 1.00 0.00 C ATOM 637 OD1 ASP A 42 -8.043 0.147 -14.109 1.00 0.00 O ATOM 638 OD2 ASP A 42 -9.784 0.711 -12.895 1.00 0.00 O ATOM 0 H ASP A 42 -8.300 1.357 -10.121 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.296 0.386 -11.990 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.372 2.591 -11.958 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.168 2.480 -13.227 1.00 0.00 H new ATOM 643 N LYS A 43 -4.357 1.638 -11.021 1.00 0.00 N ATOM 644 CA LYS A 43 -3.096 2.369 -10.771 1.00 0.00 C ATOM 645 C LYS A 43 -2.870 3.549 -11.733 1.00 0.00 C ATOM 646 O LYS A 43 -2.430 4.618 -11.314 1.00 0.00 O ATOM 647 CB LYS A 43 -1.923 1.365 -10.773 1.00 0.00 C ATOM 648 CG LYS A 43 -1.644 0.726 -12.149 1.00 0.00 C ATOM 649 CD LYS A 43 -0.922 -0.627 -12.083 1.00 0.00 C ATOM 650 CE LYS A 43 0.495 -0.542 -11.502 1.00 0.00 C ATOM 651 NZ LYS A 43 1.163 -1.868 -11.545 1.00 0.00 N ATOM 0 H LYS A 43 -4.216 0.631 -11.097 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.163 2.836 -9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.022 1.875 -10.431 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.134 0.574 -10.053 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.590 0.594 -12.674 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.044 1.416 -12.742 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.513 -1.315 -11.478 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.869 -1.050 -13.086 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.081 0.184 -12.066 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.450 -0.185 -10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.143 -1.774 -11.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.651 -2.535 -10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.164 -2.225 -12.522 1.00 0.00 H new ATOM 665 N SER A 44 -3.233 3.362 -13.005 1.00 0.00 N ATOM 666 CA SER A 44 -3.226 4.382 -14.064 1.00 0.00 C ATOM 667 C SER A 44 -4.193 5.536 -13.760 1.00 0.00 C ATOM 668 O SER A 44 -3.792 6.700 -13.788 1.00 0.00 O ATOM 669 CB SER A 44 -3.563 3.731 -15.410 1.00 0.00 C ATOM 670 OG SER A 44 -3.440 4.671 -16.464 1.00 0.00 O ATOM 0 H SER A 44 -3.555 2.455 -13.343 1.00 0.00 H new ATOM 0 HA SER A 44 -2.226 4.812 -14.111 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.897 2.887 -15.589 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.578 3.336 -15.385 1.00 0.00 H new ATOM 0 HG SER A 44 -3.657 4.238 -17.316 1.00 0.00 H new ATOM 676 N LEU A 45 -5.450 5.235 -13.407 1.00 0.00 N ATOM 677 CA LEU A 45 -6.441 6.232 -12.980 1.00 0.00 C ATOM 678 C LEU A 45 -5.969 6.995 -11.734 1.00 0.00 C ATOM 679 O LEU A 45 -6.016 8.220 -11.725 1.00 0.00 O ATOM 680 CB LEU A 45 -7.800 5.543 -12.756 1.00 0.00 C ATOM 681 CG LEU A 45 -8.917 6.437 -12.179 1.00 0.00 C ATOM 682 CD1 LEU A 45 -9.205 7.667 -13.042 1.00 0.00 C ATOM 683 CD2 LEU A 45 -10.210 5.630 -12.059 1.00 0.00 C ATOM 0 H LEU A 45 -5.811 4.281 -13.410 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.559 6.976 -13.768 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.141 5.136 -13.708 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.652 4.699 -12.083 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.566 6.780 -11.206 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.000 8.255 -12.583 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.304 8.275 -13.122 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.517 7.349 -14.037 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.998 6.263 -11.651 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.507 5.270 -13.044 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.048 4.780 -11.396 1.00 0.00 H new ATOM 695 N PHE A 46 -5.478 6.295 -10.710 1.00 0.00 N ATOM 696 CA PHE A 46 -4.935 6.884 -9.482 1.00 0.00 C ATOM 697 C PHE A 46 -3.841 7.931 -9.758 1.00 0.00 C ATOM 698 O PHE A 46 -3.993 9.091 -9.365 1.00 0.00 O ATOM 699 CB PHE A 46 -4.454 5.750 -8.569 1.00 0.00 C ATOM 700 CG PHE A 46 -3.620 6.182 -7.379 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.148 7.053 -6.404 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.308 5.693 -7.242 1.00 0.00 C ATOM 703 CE1 PHE A 46 -3.372 7.414 -5.288 1.00 0.00 C ATOM 704 CE2 PHE A 46 -1.554 6.015 -6.103 1.00 0.00 C ATOM 705 CZ PHE A 46 -2.080 6.882 -5.130 1.00 0.00 C ATOM 0 H PHE A 46 -5.446 5.276 -10.711 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.723 7.440 -8.974 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.325 5.207 -8.203 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.870 5.049 -9.165 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.149 7.443 -6.514 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.881 5.070 -8.014 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.768 8.099 -4.553 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.567 5.596 -5.974 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.492 7.140 -4.261 1.00 0.00 H new ATOM 715 N VAL A 47 -2.760 7.571 -10.464 1.00 0.00 N ATOM 716 CA VAL A 47 -1.727 8.550 -10.843 1.00 0.00 C ATOM 717 C VAL A 47 -2.229 9.651 -11.758 1.00 0.00 C ATOM 718 O VAL A 47 -1.912 10.817 -11.535 1.00 0.00 O ATOM 719 CB VAL A 47 -0.482 7.886 -11.428 1.00 0.00 C ATOM 720 CG1 VAL A 47 -0.586 7.281 -12.827 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.723 8.825 -11.409 1.00 0.00 C ATOM 0 H VAL A 47 -2.577 6.619 -10.782 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.448 9.031 -9.905 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.360 7.039 -10.753 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.374 6.847 -13.108 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.351 6.505 -12.832 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.855 8.059 -13.541 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.588 8.315 -11.833 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.501 9.714 -11.999 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.941 9.116 -10.382 1.00 0.00 H new ATOM 731 N SER A 48 -3.038 9.313 -12.758 1.00 0.00 N ATOM 732 CA SER A 48 -3.570 10.301 -13.693 1.00 0.00 C ATOM 733 C SER A 48 -4.470 11.328 -12.986 1.00 0.00 C ATOM 734 O SER A 48 -4.458 12.517 -13.314 1.00 0.00 O ATOM 735 CB SER A 48 -4.313 9.583 -14.820 1.00 0.00 C ATOM 736 OG SER A 48 -4.707 10.494 -15.833 1.00 0.00 O ATOM 0 H SER A 48 -3.341 8.357 -12.943 1.00 0.00 H new ATOM 0 HA SER A 48 -2.739 10.863 -14.119 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.673 8.812 -15.249 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.192 9.080 -14.417 1.00 0.00 H new ATOM 0 HG SER A 48 -5.179 10.010 -16.543 1.00 0.00 H new ATOM 742 N ALA A 49 -5.186 10.896 -11.943 1.00 0.00 N ATOM 743 CA ALA A 49 -5.969 11.762 -11.064 1.00 0.00 C ATOM 744 C ALA A 49 -5.056 12.687 -10.250 1.00 0.00 C ATOM 745 O ALA A 49 -5.277 13.898 -10.229 1.00 0.00 O ATOM 746 CB ALA A 49 -6.852 10.901 -10.156 1.00 0.00 C ATOM 0 H ALA A 49 -5.237 9.911 -11.683 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.612 12.401 -11.669 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.437 11.546 -9.500 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.525 10.299 -10.767 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.224 10.244 -9.554 1.00 0.00 H new ATOM 752 N PHE A 50 -3.998 12.144 -9.636 1.00 0.00 N ATOM 753 CA PHE A 50 -2.941 12.932 -8.992 1.00 0.00 C ATOM 754 C PHE A 50 -2.353 14.024 -9.913 1.00 0.00 C ATOM 755 O PHE A 50 -2.348 15.199 -9.542 1.00 0.00 O ATOM 756 CB PHE A 50 -1.883 11.976 -8.412 1.00 0.00 C ATOM 757 CG PHE A 50 -0.465 12.514 -8.358 1.00 0.00 C ATOM 758 CD1 PHE A 50 0.389 12.353 -9.468 1.00 0.00 C ATOM 759 CD2 PHE A 50 0.004 13.180 -7.213 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.689 12.879 -9.451 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.320 13.671 -7.178 1.00 0.00 C ATOM 762 CZ PHE A 50 2.161 13.526 -8.296 1.00 0.00 C ATOM 0 H PHE A 50 -3.850 11.137 -9.572 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.376 13.497 -8.168 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.185 11.700 -7.402 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.882 11.062 -9.006 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.039 11.820 -10.339 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.646 13.314 -6.361 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.324 12.787 -10.320 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.687 14.162 -6.289 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.169 13.912 -8.267 1.00 0.00 H new ATOM 772 N GLU A 51 -1.896 13.680 -11.123 1.00 0.00 N ATOM 773 CA GLU A 51 -1.266 14.648 -12.040 1.00 0.00 C ATOM 774 C GLU A 51 -2.250 15.619 -12.718 1.00 0.00 C ATOM 775 O GLU A 51 -1.833 16.603 -13.333 1.00 0.00 O ATOM 776 CB GLU A 51 -0.364 13.954 -13.069 1.00 0.00 C ATOM 777 CG GLU A 51 -1.053 13.022 -14.059 1.00 0.00 C ATOM 778 CD GLU A 51 -0.178 12.786 -15.305 1.00 0.00 C ATOM 779 OE1 GLU A 51 0.672 11.861 -15.294 1.00 0.00 O ATOM 780 OE2 GLU A 51 -0.333 13.524 -16.309 1.00 0.00 O ATOM 0 H GLU A 51 -1.950 12.732 -11.495 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.641 15.272 -11.401 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.163 14.723 -13.634 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.391 13.381 -12.530 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.267 12.069 -13.576 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.010 13.449 -14.359 1.00 0.00 H new ATOM 787 N THR A 52 -3.552 15.380 -12.563 1.00 0.00 N ATOM 788 CA THR A 52 -4.635 16.339 -12.829 1.00 0.00 C ATOM 789 C THR A 52 -4.843 17.282 -11.632 1.00 0.00 C ATOM 790 O THR A 52 -4.694 18.496 -11.766 1.00 0.00 O ATOM 791 CB THR A 52 -5.944 15.610 -13.186 1.00 0.00 C ATOM 792 OG1 THR A 52 -5.753 14.774 -14.307 1.00 0.00 O ATOM 793 CG2 THR A 52 -7.058 16.583 -13.574 1.00 0.00 C ATOM 0 H THR A 52 -3.900 14.479 -12.236 1.00 0.00 H new ATOM 0 HA THR A 52 -4.341 16.943 -13.687 1.00 0.00 H new ATOM 0 HB THR A 52 -6.224 15.046 -12.296 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.296 13.953 -14.029 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.961 16.024 -13.817 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.261 17.255 -12.740 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.747 17.165 -14.442 1.00 0.00 H new ATOM 801 N PHE A 53 -5.181 16.751 -10.450 1.00 0.00 N ATOM 802 CA PHE A 53 -5.596 17.512 -9.257 1.00 0.00 C ATOM 803 C PHE A 53 -4.450 18.171 -8.463 1.00 0.00 C ATOM 804 O PHE A 53 -4.707 18.849 -7.464 1.00 0.00 O ATOM 805 CB PHE A 53 -6.447 16.605 -8.350 1.00 0.00 C ATOM 806 CG PHE A 53 -7.719 16.021 -8.955 1.00 0.00 C ATOM 807 CD1 PHE A 53 -8.397 16.644 -10.027 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.262 14.851 -8.394 1.00 0.00 C ATOM 809 CE1 PHE A 53 -9.572 16.079 -10.554 1.00 0.00 C ATOM 810 CE2 PHE A 53 -9.446 14.295 -8.910 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.095 14.900 -9.998 1.00 0.00 C ATOM 0 H PHE A 53 -5.174 15.744 -10.289 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.182 18.355 -9.624 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -5.821 15.778 -8.014 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.724 17.176 -7.464 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.010 17.561 -10.445 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.766 14.376 -7.561 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.072 16.552 -11.386 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.857 13.400 -8.468 1.00 0.00 H new ATOM 0 HZ PHE A 53 -10.993 14.460 -10.406 1.00 0.00 H new ATOM 821 N ARG A 54 -3.197 18.048 -8.920 1.00 0.00 N ATOM 822 CA ARG A 54 -2.002 18.729 -8.378 1.00 0.00 C ATOM 823 C ARG A 54 -2.175 20.236 -8.186 1.00 0.00 C ATOM 824 O ARG A 54 -1.565 20.814 -7.295 1.00 0.00 O ATOM 825 CB ARG A 54 -0.770 18.438 -9.259 1.00 0.00 C ATOM 826 CG ARG A 54 -1.035 18.620 -10.762 1.00 0.00 C ATOM 827 CD ARG A 54 0.224 18.725 -11.630 1.00 0.00 C ATOM 828 NE ARG A 54 1.269 17.730 -11.289 1.00 0.00 N ATOM 829 CZ ARG A 54 1.967 16.992 -12.134 1.00 0.00 C ATOM 830 NH1 ARG A 54 1.727 16.982 -13.414 1.00 0.00 N ATOM 831 NH2 ARG A 54 2.936 16.238 -11.712 1.00 0.00 N ATOM 0 H ARG A 54 -2.973 17.446 -9.712 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.851 18.316 -7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.045 19.097 -8.959 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.437 17.416 -9.078 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.633 17.780 -11.115 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.633 19.520 -10.905 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.056 18.601 -12.676 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.642 19.727 -11.528 1.00 0.00 H new ATOM 0 HE ARG A 54 1.470 17.602 -10.297 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.977 17.558 -13.797 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.289 16.398 -14.034 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.166 16.211 -10.719 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.468 15.673 -12.374 1.00 0.00 H new ATOM 845 N GLU A 55 -3.034 20.870 -8.980 1.00 0.00 N ATOM 846 CA GLU A 55 -3.370 22.299 -8.894 1.00 0.00 C ATOM 847 C GLU A 55 -3.915 22.749 -7.521 1.00 0.00 C ATOM 848 O GLU A 55 -3.879 23.937 -7.202 1.00 0.00 O ATOM 849 CB GLU A 55 -4.366 22.680 -10.004 1.00 0.00 C ATOM 850 CG GLU A 55 -3.955 22.157 -11.388 1.00 0.00 C ATOM 851 CD GLU A 55 -4.649 22.950 -12.513 1.00 0.00 C ATOM 852 OE1 GLU A 55 -5.841 22.687 -12.807 1.00 0.00 O ATOM 853 OE2 GLU A 55 -4.008 23.850 -13.109 1.00 0.00 O ATOM 0 H GLU A 55 -3.535 20.392 -9.728 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.427 22.828 -9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.351 22.286 -9.751 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.458 23.765 -10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.873 22.231 -11.501 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.212 21.101 -11.472 1.00 0.00 H new ATOM 860 N GLU A 56 -4.381 21.815 -6.683 1.00 0.00 N ATOM 861 CA GLU A 56 -4.791 22.063 -5.294 1.00 0.00 C ATOM 862 C GLU A 56 -3.622 22.459 -4.359 1.00 0.00 C ATOM 863 O GLU A 56 -3.843 23.166 -3.371 1.00 0.00 O ATOM 864 CB GLU A 56 -5.517 20.803 -4.785 1.00 0.00 C ATOM 865 CG GLU A 56 -6.196 20.989 -3.421 1.00 0.00 C ATOM 866 CD GLU A 56 -7.198 19.850 -3.142 1.00 0.00 C ATOM 867 OE1 GLU A 56 -6.777 18.751 -2.707 1.00 0.00 O ATOM 868 OE2 GLU A 56 -8.420 20.054 -3.346 1.00 0.00 O ATOM 0 H GLU A 56 -4.486 20.839 -6.959 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.456 22.927 -5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.268 20.507 -5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.800 19.985 -4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.441 21.014 -2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.714 21.948 -3.396 1.00 0.00 H new ATOM 875 N SER A 57 -2.384 22.056 -4.678 1.00 0.00 N ATOM 876 CA SER A 57 -1.189 22.196 -3.826 1.00 0.00 C ATOM 877 C SER A 57 0.065 22.494 -4.652 1.00 0.00 C ATOM 878 O SER A 57 0.510 21.651 -5.429 1.00 0.00 O ATOM 879 CB SER A 57 -0.951 20.900 -3.041 1.00 0.00 C ATOM 880 OG SER A 57 -2.002 20.667 -2.119 1.00 0.00 O ATOM 0 H SER A 57 -2.177 21.606 -5.570 1.00 0.00 H new ATOM 0 HA SER A 57 -1.372 23.030 -3.148 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.875 20.060 -3.732 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.002 20.962 -2.509 1.00 0.00 H new ATOM 0 HG SER A 57 -1.830 19.835 -1.631 1.00 0.00 H new ATOM 886 N LEU A 58 0.689 23.665 -4.479 1.00 0.00 N ATOM 887 CA LEU A 58 1.804 24.107 -5.333 1.00 0.00 C ATOM 888 C LEU A 58 3.014 23.156 -5.324 1.00 0.00 C ATOM 889 O LEU A 58 3.714 23.035 -6.328 1.00 0.00 O ATOM 890 CB LEU A 58 2.230 25.536 -4.950 1.00 0.00 C ATOM 891 CG LEU A 58 2.696 26.335 -6.183 1.00 0.00 C ATOM 892 CD1 LEU A 58 1.497 26.887 -6.959 1.00 0.00 C ATOM 893 CD2 LEU A 58 3.571 27.520 -5.794 1.00 0.00 C ATOM 0 H LEU A 58 0.439 24.331 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 58 1.429 24.095 -6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.395 26.051 -4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.036 25.493 -4.217 1.00 0.00 H new ATOM 0 HG LEU A 58 3.269 25.640 -6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.851 27.447 -7.825 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.868 26.061 -7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.917 27.546 -6.313 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.878 28.056 -6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.008 28.191 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.455 27.162 -5.266 1.00 0.00 H new ATOM 905 N VAL A 59 3.218 22.429 -4.221 1.00 0.00 N ATOM 906 CA VAL A 59 4.286 21.422 -4.080 1.00 0.00 C ATOM 907 C VAL A 59 4.105 20.228 -5.031 1.00 0.00 C ATOM 908 O VAL A 59 5.071 19.555 -5.389 1.00 0.00 O ATOM 909 CB VAL A 59 4.445 20.929 -2.621 1.00 0.00 C ATOM 910 CG1 VAL A 59 4.290 22.070 -1.604 1.00 0.00 C ATOM 911 CG2 VAL A 59 3.476 19.815 -2.201 1.00 0.00 C ATOM 0 H VAL A 59 2.640 22.521 -3.386 1.00 0.00 H new ATOM 0 HA VAL A 59 5.205 21.935 -4.364 1.00 0.00 H new ATOM 0 HB VAL A 59 5.456 20.523 -2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.409 21.676 -0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.050 22.829 -1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.300 22.515 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.667 19.539 -1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.450 20.169 -2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.623 18.945 -2.841 1.00 0.00 H new ATOM 921 N CYS A 60 2.856 19.962 -5.430 1.00 0.00 N ATOM 922 CA CYS A 60 2.419 18.830 -6.249 1.00 0.00 C ATOM 923 C CYS A 60 2.642 19.056 -7.753 1.00 0.00 C ATOM 924 O CYS A 60 2.799 18.111 -8.530 1.00 0.00 O ATOM 925 CB CYS A 60 0.921 18.643 -5.981 1.00 0.00 C ATOM 926 SG CYS A 60 0.479 16.908 -6.238 1.00 0.00 S ATOM 0 H CYS A 60 2.078 20.569 -5.173 1.00 0.00 H new ATOM 0 HA CYS A 60 3.006 17.952 -5.980 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.682 18.944 -4.961 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.339 19.281 -6.646 1.00 0.00 H new ATOM 0 HG CYS A 60 1.522 16.251 -6.649 1.00 0.00 H new ATOM 932 N LYS A 61 2.666 20.327 -8.172 1.00 0.00 N ATOM 933 CA LYS A 61 2.835 20.750 -9.574 1.00 0.00 C ATOM 934 C LYS A 61 4.202 20.408 -10.197 1.00 0.00 C ATOM 935 O LYS A 61 4.342 20.470 -11.417 1.00 0.00 O ATOM 936 CB LYS A 61 2.481 22.244 -9.688 1.00 0.00 C ATOM 937 CG LYS A 61 0.951 22.402 -9.737 1.00 0.00 C ATOM 938 CD LYS A 61 0.436 23.795 -9.363 1.00 0.00 C ATOM 939 CE LYS A 61 1.201 24.943 -10.045 1.00 0.00 C ATOM 940 NZ LYS A 61 0.343 26.142 -10.252 1.00 0.00 N ATOM 0 H LYS A 61 2.566 21.114 -7.530 1.00 0.00 H new ATOM 0 HA LYS A 61 2.143 20.162 -10.177 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.888 22.792 -8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.931 22.669 -10.585 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.607 22.161 -10.743 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.503 21.672 -9.063 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.619 23.866 -9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.502 23.919 -8.282 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.063 25.215 -9.436 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.585 24.602 -11.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.898 26.891 -10.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.467 25.890 -10.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.003 26.484 -9.333 1.00 0.00 H new ATOM 954 N ASP A 62 5.170 19.971 -9.388 1.00 0.00 N ATOM 955 CA ASP A 62 6.476 19.432 -9.809 1.00 0.00 C ATOM 956 C ASP A 62 6.739 17.985 -9.320 1.00 0.00 C ATOM 957 O ASP A 62 7.776 17.402 -9.646 1.00 0.00 O ATOM 958 CB ASP A 62 7.587 20.392 -9.350 1.00 0.00 C ATOM 959 CG ASP A 62 7.555 21.724 -10.120 1.00 0.00 C ATOM 960 OD1 ASP A 62 8.030 21.760 -11.281 1.00 0.00 O ATOM 961 OD2 ASP A 62 7.080 22.744 -9.564 1.00 0.00 O ATOM 0 H ASP A 62 5.065 19.982 -8.373 1.00 0.00 H new ATOM 0 HA ASP A 62 6.469 19.364 -10.897 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.479 20.588 -8.283 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.558 19.916 -9.490 1.00 0.00 H new ATOM 966 N ALA A 63 5.814 17.389 -8.555 1.00 0.00 N ATOM 967 CA ALA A 63 5.930 16.043 -7.989 1.00 0.00 C ATOM 968 C ALA A 63 5.676 14.929 -9.027 1.00 0.00 C ATOM 969 O ALA A 63 4.953 15.139 -10.004 1.00 0.00 O ATOM 970 CB ALA A 63 4.905 15.933 -6.851 1.00 0.00 C ATOM 0 H ALA A 63 4.937 17.847 -8.307 1.00 0.00 H new ATOM 0 HA ALA A 63 6.951 15.902 -7.633 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.963 14.940 -6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.121 16.685 -6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.903 16.095 -7.247 1.00 0.00 H new ATOM 976 N ILE A 64 6.178 13.715 -8.764 1.00 0.00 N ATOM 977 CA ILE A 64 5.874 12.486 -9.535 1.00 0.00 C ATOM 978 C ILE A 64 5.512 11.335 -8.574 1.00 0.00 C ATOM 979 O ILE A 64 6.077 11.233 -7.484 1.00 0.00 O ATOM 980 CB ILE A 64 7.054 12.126 -10.477 1.00 0.00 C ATOM 981 CG1 ILE A 64 7.404 13.299 -11.426 1.00 0.00 C ATOM 982 CG2 ILE A 64 6.754 10.850 -11.290 1.00 0.00 C ATOM 983 CD1 ILE A 64 8.640 13.065 -12.302 1.00 0.00 C ATOM 0 H ILE A 64 6.823 13.548 -7.992 1.00 0.00 H new ATOM 0 HA ILE A 64 5.007 12.663 -10.171 1.00 0.00 H new ATOM 0 HB ILE A 64 7.920 11.933 -9.844 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.548 13.493 -12.073 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.563 14.197 -10.829 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.600 10.625 -11.940 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.588 10.015 -10.609 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.862 11.006 -11.897 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.809 13.937 -12.933 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.511 12.903 -11.667 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.480 12.188 -12.930 1.00 0.00 H new ATOM 995 N LEU A 65 4.584 10.457 -8.973 1.00 0.00 N ATOM 996 CA LEU A 65 4.002 9.386 -8.150 1.00 0.00 C ATOM 997 C LEU A 65 4.346 7.995 -8.715 1.00 0.00 C ATOM 998 O LEU A 65 3.969 7.647 -9.833 1.00 0.00 O ATOM 999 CB LEU A 65 2.495 9.681 -7.997 1.00 0.00 C ATOM 1000 CG LEU A 65 1.539 8.504 -7.729 1.00 0.00 C ATOM 1001 CD1 LEU A 65 1.868 7.673 -6.498 1.00 0.00 C ATOM 1002 CD2 LEU A 65 0.131 9.055 -7.513 1.00 0.00 C ATOM 0 H LEU A 65 4.201 10.473 -9.918 1.00 0.00 H new ATOM 0 HA LEU A 65 4.434 9.366 -7.150 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.378 10.395 -7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.161 10.179 -8.907 1.00 0.00 H new ATOM 0 HG LEU A 65 1.634 7.855 -8.600 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.138 6.870 -6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.865 7.246 -6.603 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.837 8.307 -5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.557 8.231 -7.322 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.132 9.732 -6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.189 9.596 -8.404 1.00 0.00 H new ATOM 1014 N ASP A 66 5.085 7.213 -7.926 1.00 0.00 N ATOM 1015 CA ASP A 66 5.605 5.879 -8.255 1.00 0.00 C ATOM 1016 C ASP A 66 4.806 4.745 -7.583 1.00 0.00 C ATOM 1017 O ASP A 66 4.930 4.518 -6.376 1.00 0.00 O ATOM 1018 CB ASP A 66 7.085 5.815 -7.847 1.00 0.00 C ATOM 1019 CG ASP A 66 7.782 4.550 -8.380 1.00 0.00 C ATOM 1020 OD1 ASP A 66 7.651 4.252 -9.591 1.00 0.00 O ATOM 1021 OD2 ASP A 66 8.494 3.874 -7.601 1.00 0.00 O ATOM 0 H ASP A 66 5.353 7.508 -6.987 1.00 0.00 H new ATOM 0 HA ASP A 66 5.500 5.727 -9.329 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.602 6.698 -8.223 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.162 5.839 -6.760 1.00 0.00 H new ATOM 1026 N ILE A 67 3.974 4.025 -8.346 1.00 0.00 N ATOM 1027 CA ILE A 67 3.279 2.822 -7.854 1.00 0.00 C ATOM 1028 C ILE A 67 4.247 1.629 -7.735 1.00 0.00 C ATOM 1029 O ILE A 67 5.055 1.367 -8.631 1.00 0.00 O ATOM 1030 CB ILE A 67 2.069 2.452 -8.746 1.00 0.00 C ATOM 1031 CG1 ILE A 67 1.049 3.616 -8.853 1.00 0.00 C ATOM 1032 CG2 ILE A 67 1.346 1.211 -8.187 1.00 0.00 C ATOM 1033 CD1 ILE A 67 1.057 4.258 -10.243 1.00 0.00 C ATOM 0 H ILE A 67 3.762 4.256 -9.317 1.00 0.00 H new ATOM 0 HA ILE A 67 2.899 3.057 -6.860 1.00 0.00 H new ATOM 0 HB ILE A 67 2.463 2.242 -9.740 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.049 3.244 -8.631 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.281 4.372 -8.103 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.498 0.965 -8.826 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.037 0.368 -8.161 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.991 1.421 -7.178 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.328 5.068 -10.274 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.050 4.655 -10.455 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.798 3.509 -10.991 1.00 0.00 H new ATOM 1045 N VAL A 68 4.102 0.861 -6.654 1.00 0.00 N ATOM 1046 CA VAL A 68 4.766 -0.413 -6.348 1.00 0.00 C ATOM 1047 C VAL A 68 3.701 -1.487 -6.117 1.00 0.00 C ATOM 1048 O VAL A 68 2.826 -1.340 -5.266 1.00 0.00 O ATOM 1049 CB VAL A 68 5.684 -0.273 -5.117 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.330 -1.608 -4.718 1.00 0.00 C ATOM 1051 CG2 VAL A 68 6.816 0.721 -5.402 1.00 0.00 C ATOM 0 H VAL A 68 3.465 1.134 -5.906 1.00 0.00 H new ATOM 0 HA VAL A 68 5.394 -0.704 -7.190 1.00 0.00 H new ATOM 0 HB VAL A 68 5.050 0.078 -4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.967 -1.458 -3.846 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.551 -2.332 -4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.931 -1.983 -5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.454 0.808 -4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.408 0.367 -6.246 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.392 1.697 -5.640 1.00 0.00 H new ATOM 1061 N ASP A 69 3.761 -2.566 -6.893 1.00 0.00 N ATOM 1062 CA ASP A 69 2.866 -3.726 -6.780 1.00 0.00 C ATOM 1063 C ASP A 69 3.229 -4.589 -5.554 1.00 0.00 C ATOM 1064 O ASP A 69 4.254 -5.276 -5.544 1.00 0.00 O ATOM 1065 CB ASP A 69 2.912 -4.550 -8.075 1.00 0.00 C ATOM 1066 CG ASP A 69 2.357 -3.758 -9.266 1.00 0.00 C ATOM 1067 OD1 ASP A 69 1.132 -3.814 -9.527 1.00 0.00 O ATOM 1068 OD2 ASP A 69 3.139 -3.062 -9.959 1.00 0.00 O ATOM 0 H ASP A 69 4.450 -2.665 -7.639 1.00 0.00 H new ATOM 0 HA ASP A 69 1.847 -3.369 -6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.940 -4.847 -8.282 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.335 -5.466 -7.945 1.00 0.00 H new ATOM 1073 N GLU A 70 2.414 -4.537 -4.499 1.00 0.00 N ATOM 1074 CA GLU A 70 2.621 -5.292 -3.256 1.00 0.00 C ATOM 1075 C GLU A 70 1.979 -6.687 -3.301 1.00 0.00 C ATOM 1076 O GLU A 70 0.873 -6.867 -3.814 1.00 0.00 O ATOM 1077 CB GLU A 70 2.021 -4.551 -2.053 1.00 0.00 C ATOM 1078 CG GLU A 70 2.692 -3.220 -1.707 1.00 0.00 C ATOM 1079 CD GLU A 70 2.225 -2.715 -0.325 1.00 0.00 C ATOM 1080 OE1 GLU A 70 1.051 -2.939 0.054 1.00 0.00 O ATOM 1081 OE2 GLU A 70 3.048 -2.105 0.395 1.00 0.00 O ATOM 0 H GLU A 70 1.574 -3.958 -4.482 1.00 0.00 H new ATOM 0 HA GLU A 70 3.701 -5.393 -3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.965 -4.367 -2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.074 -5.204 -1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.775 -3.342 -1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.454 -2.478 -2.470 1.00 0.00 H new ATOM 1088 N LYS A 71 2.636 -7.665 -2.671 1.00 0.00 N ATOM 1089 CA LYS A 71 2.102 -9.005 -2.374 1.00 0.00 C ATOM 1090 C LYS A 71 1.067 -8.995 -1.233 1.00 0.00 C ATOM 1091 O LYS A 71 0.916 -8.006 -0.508 1.00 0.00 O ATOM 1092 CB LYS A 71 3.263 -10.008 -2.157 1.00 0.00 C ATOM 1093 CG LYS A 71 4.519 -9.481 -1.438 1.00 0.00 C ATOM 1094 CD LYS A 71 4.274 -8.907 -0.037 1.00 0.00 C ATOM 1095 CE LYS A 71 3.970 -10.021 0.969 1.00 0.00 C ATOM 1096 NZ LYS A 71 4.060 -9.540 2.370 1.00 0.00 N ATOM 0 H LYS A 71 3.593 -7.544 -2.339 1.00 0.00 H new ATOM 0 HA LYS A 71 1.540 -9.349 -3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.877 -10.854 -1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.566 -10.391 -3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.242 -10.293 -1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.975 -8.707 -2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.151 -8.348 0.289 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.441 -8.204 -0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.971 -10.415 0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.669 -10.844 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.798 -10.310 3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.034 -9.235 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.411 -8.738 2.504 1.00 0.00 H new ATOM 1110 N VAL A 72 0.378 -10.123 -1.059 1.00 0.00 N ATOM 1111 CA VAL A 72 -0.663 -10.362 -0.038 1.00 0.00 C ATOM 1112 C VAL A 72 -0.118 -11.255 1.085 1.00 0.00 C ATOM 1113 O VAL A 72 0.805 -12.039 0.862 1.00 0.00 O ATOM 1114 CB VAL A 72 -1.910 -11.001 -0.702 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -3.087 -11.241 0.253 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -2.455 -10.121 -1.836 1.00 0.00 C ATOM 0 H VAL A 72 0.532 -10.939 -1.651 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.955 -9.410 0.405 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.542 -11.961 -1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.915 -11.690 -0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.775 -11.912 1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.408 -10.291 0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.329 -10.599 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.737 -9.147 -1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.686 -9.992 -2.598 1.00 0.00 H new ATOM 1126 N GLU A 73 -0.688 -11.164 2.288 1.00 0.00 N ATOM 1127 CA GLU A 73 -0.346 -12.016 3.437 1.00 0.00 C ATOM 1128 C GLU A 73 -1.591 -12.382 4.270 1.00 0.00 C ATOM 1129 O GLU A 73 -2.415 -11.523 4.594 1.00 0.00 O ATOM 1130 CB GLU A 73 0.691 -11.287 4.305 1.00 0.00 C ATOM 1131 CG GLU A 73 1.614 -12.235 5.089 1.00 0.00 C ATOM 1132 CD GLU A 73 2.826 -12.701 4.262 1.00 0.00 C ATOM 1133 OE1 GLU A 73 3.599 -11.843 3.777 1.00 0.00 O ATOM 1134 OE2 GLU A 73 3.054 -13.921 4.104 1.00 0.00 O ATOM 0 H GLU A 73 -1.417 -10.482 2.499 1.00 0.00 H new ATOM 0 HA GLU A 73 0.072 -12.952 3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.300 -10.646 3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.171 -10.636 5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.966 -11.731 5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.044 -13.106 5.413 1.00 0.00 H new ATOM 1141 N LEU A 74 -1.704 -13.659 4.640 1.00 0.00 N ATOM 1142 CA LEU A 74 -2.765 -14.281 5.436 1.00 0.00 C ATOM 1143 C LEU A 74 -2.245 -14.712 6.807 1.00 0.00 C ATOM 1144 O LEU A 74 -1.574 -15.733 6.962 1.00 0.00 O ATOM 1145 CB LEU A 74 -3.356 -15.483 4.670 1.00 0.00 C ATOM 1146 CG LEU A 74 -4.241 -15.134 3.465 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -4.650 -16.422 2.752 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -5.522 -14.412 3.882 1.00 0.00 C ATOM 0 H LEU A 74 -0.997 -14.342 4.368 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.552 -13.546 5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.534 -16.110 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.942 -16.082 5.367 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.660 -14.478 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.279 -16.180 1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.758 -16.948 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.205 -17.059 3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.116 -14.185 2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.098 -15.050 4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.267 -13.485 4.395 1.00 0.00 H new ATOM 1160 N GLU A 75 -2.562 -13.903 7.809 1.00 0.00 N ATOM 1161 CA GLU A 75 -2.391 -14.178 9.230 1.00 0.00 C ATOM 1162 C GLU A 75 -3.536 -15.029 9.794 1.00 0.00 C ATOM 1163 O GLU A 75 -4.682 -14.910 9.362 1.00 0.00 O ATOM 1164 CB GLU A 75 -2.326 -12.812 9.921 1.00 0.00 C ATOM 1165 CG GLU A 75 -2.431 -12.866 11.438 1.00 0.00 C ATOM 1166 CD GLU A 75 -2.106 -11.505 12.081 1.00 0.00 C ATOM 1167 OE1 GLU A 75 -3.031 -10.675 12.259 1.00 0.00 O ATOM 1168 OE2 GLU A 75 -0.923 -11.254 12.418 1.00 0.00 O ATOM 0 H GLU A 75 -2.969 -12.983 7.642 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.484 -14.758 9.403 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.388 -12.327 9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.131 -12.186 9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.438 -13.171 11.722 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.748 -13.623 11.823 1.00 0.00 H new ATOM 1175 N CYS A 76 -3.239 -15.846 10.804 1.00 0.00 N ATOM 1176 CA CYS A 76 -4.214 -16.637 11.547 1.00 0.00 C ATOM 1177 C CYS A 76 -4.740 -15.920 12.810 1.00 0.00 C ATOM 1178 O CYS A 76 -4.037 -15.132 13.451 1.00 0.00 O ATOM 1179 CB CYS A 76 -3.498 -17.928 11.922 1.00 0.00 C ATOM 1180 SG CYS A 76 -4.680 -19.301 12.124 1.00 0.00 S ATOM 0 H CYS A 76 -2.284 -15.978 11.136 1.00 0.00 H new ATOM 0 HA CYS A 76 -5.097 -16.813 10.933 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.771 -18.181 11.151 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.943 -17.783 12.849 1.00 0.00 H new ATOM 0 HG CYS A 76 -4.134 -20.243 12.834 1.00 0.00 H new ATOM 1185 N LYS A 77 -5.978 -16.248 13.189 1.00 0.00 N ATOM 1186 CA LYS A 77 -6.715 -15.741 14.360 1.00 0.00 C ATOM 1187 C LYS A 77 -6.059 -16.081 15.707 1.00 0.00 C ATOM 1188 O LYS A 77 -5.522 -15.200 16.376 1.00 0.00 O ATOM 1189 CB LYS A 77 -8.159 -16.273 14.291 1.00 0.00 C ATOM 1190 CG LYS A 77 -8.968 -15.674 13.127 1.00 0.00 C ATOM 1191 CD LYS A 77 -9.800 -14.450 13.518 1.00 0.00 C ATOM 1192 CE LYS A 77 -9.003 -13.293 14.138 1.00 0.00 C ATOM 1193 NZ LYS A 77 -9.877 -12.124 14.426 1.00 0.00 N ATOM 0 H LYS A 77 -6.532 -16.918 12.655 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.703 -14.652 14.315 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.136 -17.358 14.189 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.667 -16.052 15.230 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.283 -15.395 12.326 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.632 -16.440 12.726 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.315 -14.082 12.631 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.568 -14.763 14.226 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -8.528 -13.629 15.059 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.205 -12.994 13.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.308 -11.360 14.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.311 -11.789 13.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.624 -12.405 15.093 1.00 0.00 H new ATOM 1207 N ASP A 78 -6.130 -17.348 16.121 1.00 0.00 N ATOM 1208 CA ASP A 78 -5.720 -17.855 17.442 1.00 0.00 C ATOM 1209 C ASP A 78 -4.504 -18.802 17.331 1.00 0.00 C ATOM 1210 O ASP A 78 -4.533 -19.962 17.754 1.00 0.00 O ATOM 1211 CB ASP A 78 -6.932 -18.497 18.139 1.00 0.00 C ATOM 1212 CG ASP A 78 -8.004 -17.460 18.514 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -7.785 -16.685 19.476 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -9.075 -17.426 17.862 1.00 0.00 O ATOM 0 H ASP A 78 -6.492 -18.088 15.519 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.383 -17.026 18.065 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.370 -19.249 17.482 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.599 -19.015 19.039 1.00 0.00 H new ATOM 1219 N CYS A 79 -3.437 -18.283 16.717 1.00 0.00 N ATOM 1220 CA CYS A 79 -2.237 -18.988 16.259 1.00 0.00 C ATOM 1221 C CYS A 79 -0.965 -18.164 16.576 1.00 0.00 C ATOM 1222 O CYS A 79 -0.953 -17.334 17.491 1.00 0.00 O ATOM 1223 CB CYS A 79 -2.436 -19.215 14.752 1.00 0.00 C ATOM 1224 SG CYS A 79 -2.138 -20.915 14.173 1.00 0.00 S ATOM 0 H CYS A 79 -3.386 -17.285 16.512 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.097 -19.941 16.769 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.456 -18.934 14.491 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.771 -18.543 14.210 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.276 -21.509 13.968 1.00 0.00 H new ATOM 1229 N SER A 80 0.109 -18.386 15.811 1.00 0.00 N ATOM 1230 CA SER A 80 1.383 -17.647 15.914 1.00 0.00 C ATOM 1231 C SER A 80 2.112 -17.518 14.557 1.00 0.00 C ATOM 1232 O SER A 80 3.343 -17.457 14.495 1.00 0.00 O ATOM 1233 CB SER A 80 2.260 -18.313 16.990 1.00 0.00 C ATOM 1234 OG SER A 80 3.199 -17.405 17.549 1.00 0.00 O ATOM 0 H SER A 80 0.122 -19.101 15.084 1.00 0.00 H new ATOM 0 HA SER A 80 1.168 -16.622 16.214 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.624 -18.710 17.781 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.790 -19.159 16.553 1.00 0.00 H new ATOM 0 HG SER A 80 3.735 -17.865 18.228 1.00 0.00 H new ATOM 1240 N HIS A 81 1.364 -17.550 13.445 1.00 0.00 N ATOM 1241 CA HIS A 81 1.904 -17.717 12.090 1.00 0.00 C ATOM 1242 C HIS A 81 1.101 -16.959 11.010 1.00 0.00 C ATOM 1243 O HIS A 81 -0.102 -16.720 11.160 1.00 0.00 O ATOM 1244 CB HIS A 81 1.936 -19.230 11.813 1.00 0.00 C ATOM 1245 CG HIS A 81 2.453 -19.584 10.448 1.00 0.00 C ATOM 1246 ND1 HIS A 81 3.721 -19.334 9.967 1.00 0.00 N ATOM 1247 CD2 HIS A 81 1.730 -20.180 9.451 1.00 0.00 C ATOM 1248 CE1 HIS A 81 3.763 -19.765 8.695 1.00 0.00 C ATOM 1249 NE2 HIS A 81 2.573 -20.280 8.339 1.00 0.00 N ATOM 0 H HIS A 81 0.348 -17.459 13.463 1.00 0.00 H new ATOM 0 HA HIS A 81 2.902 -17.281 12.040 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.559 -19.715 12.565 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.929 -19.632 11.926 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.704 -20.510 9.511 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.628 -19.706 8.051 1.00 0.00 H new ATOM 0 HE2 HIS A 81 2.330 -20.671 7.429 1.00 0.00 H new ATOM 1257 N VAL A 82 1.770 -16.614 9.899 1.00 0.00 N ATOM 1258 CA VAL A 82 1.195 -16.046 8.669 1.00 0.00 C ATOM 1259 C VAL A 82 1.834 -16.688 7.419 1.00 0.00 C ATOM 1260 O VAL A 82 3.020 -17.027 7.434 1.00 0.00 O ATOM 1261 CB VAL A 82 1.314 -14.500 8.632 1.00 0.00 C ATOM 1262 CG1 VAL A 82 1.163 -13.812 10.001 1.00 0.00 C ATOM 1263 CG2 VAL A 82 2.619 -13.955 8.040 1.00 0.00 C ATOM 0 H VAL A 82 2.781 -16.730 9.831 1.00 0.00 H new ATOM 0 HA VAL A 82 0.131 -16.281 8.666 1.00 0.00 H new ATOM 0 HB VAL A 82 0.475 -14.259 7.979 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.260 -12.733 9.879 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.183 -14.043 10.418 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.939 -14.172 10.677 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.601 -12.865 8.061 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.463 -14.315 8.628 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.722 -14.297 7.010 1.00 0.00 H new ATOM 1273 N PHE A 83 1.077 -16.818 6.325 1.00 0.00 N ATOM 1274 CA PHE A 83 1.528 -17.355 5.026 1.00 0.00 C ATOM 1275 C PHE A 83 0.892 -16.611 3.834 1.00 0.00 C ATOM 1276 O PHE A 83 0.169 -15.630 4.014 1.00 0.00 O ATOM 1277 CB PHE A 83 1.277 -18.877 4.969 1.00 0.00 C ATOM 1278 CG PHE A 83 -0.161 -19.303 5.209 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -1.155 -19.101 4.229 1.00 0.00 C ATOM 1280 CD2 PHE A 83 -0.514 -19.888 6.437 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -2.491 -19.451 4.485 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -1.851 -20.190 6.716 1.00 0.00 C ATOM 1283 CZ PHE A 83 -2.842 -19.997 5.734 1.00 0.00 C ATOM 0 H PHE A 83 0.095 -16.543 6.314 1.00 0.00 H new ATOM 0 HA PHE A 83 2.601 -17.185 4.940 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.590 -19.245 3.992 1.00 0.00 H new ATOM 0 HB3 PHE A 83 1.912 -19.362 5.711 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.887 -18.674 3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.250 -20.105 7.168 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.246 -19.302 3.727 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.124 -20.573 7.688 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.868 -20.267 5.939 1.00 0.00 H new ATOM 1293 N LYS A 84 1.142 -17.074 2.601 1.00 0.00 N ATOM 1294 CA LYS A 84 0.650 -16.471 1.346 1.00 0.00 C ATOM 1295 C LYS A 84 -0.398 -17.370 0.662 1.00 0.00 C ATOM 1296 O LYS A 84 -0.260 -18.596 0.714 1.00 0.00 O ATOM 1297 CB LYS A 84 1.845 -16.179 0.419 1.00 0.00 C ATOM 1298 CG LYS A 84 2.787 -15.164 1.077 1.00 0.00 C ATOM 1299 CD LYS A 84 4.043 -14.882 0.248 1.00 0.00 C ATOM 1300 CE LYS A 84 4.837 -13.719 0.857 1.00 0.00 C ATOM 1301 NZ LYS A 84 5.213 -13.951 2.279 1.00 0.00 N ATOM 0 H LYS A 84 1.710 -17.906 2.440 1.00 0.00 H new ATOM 0 HA LYS A 84 0.148 -15.531 1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.384 -17.102 0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.489 -15.791 -0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.249 -14.230 1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.083 -15.535 2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.667 -15.775 0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.763 -14.642 -0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.741 -13.557 0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.245 -12.807 0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 5.732 -13.125 2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.353 -14.095 2.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.817 -14.795 2.345 1.00 0.00 H new ATOM 1315 N PRO A 85 -1.448 -16.801 0.036 1.00 0.00 N ATOM 1316 CA PRO A 85 -2.525 -17.578 -0.583 1.00 0.00 C ATOM 1317 C PRO A 85 -2.061 -18.342 -1.836 1.00 0.00 C ATOM 1318 O PRO A 85 -1.566 -17.744 -2.796 1.00 0.00 O ATOM 1319 CB PRO A 85 -3.632 -16.568 -0.898 1.00 0.00 C ATOM 1320 CG PRO A 85 -2.904 -15.230 -1.017 1.00 0.00 C ATOM 1321 CD PRO A 85 -1.736 -15.373 -0.043 1.00 0.00 C ATOM 0 HA PRO A 85 -2.878 -18.359 0.090 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -4.150 -16.822 -1.823 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.383 -16.543 -0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.558 -15.050 -2.035 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.551 -14.395 -0.748 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.866 -14.819 -0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.995 -14.973 0.937 1.00 0.00 H new ATOM 1329 N ASN A 86 -2.251 -19.666 -1.833 1.00 0.00 N ATOM 1330 CA ASN A 86 -1.984 -20.570 -2.961 1.00 0.00 C ATOM 1331 C ASN A 86 -3.104 -21.621 -3.105 1.00 0.00 C ATOM 1332 O ASN A 86 -3.864 -21.584 -4.075 1.00 0.00 O ATOM 1333 CB ASN A 86 -0.589 -21.212 -2.797 1.00 0.00 C ATOM 1334 CG ASN A 86 0.548 -20.238 -3.066 1.00 0.00 C ATOM 1335 OD1 ASN A 86 1.189 -19.715 -2.164 1.00 0.00 O ATOM 1336 ND2 ASN A 86 0.855 -19.974 -4.318 1.00 0.00 N ATOM 0 H ASN A 86 -2.609 -20.158 -1.014 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.979 -19.997 -3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -0.492 -21.604 -1.785 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.503 -22.060 -3.477 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.623 -19.337 -4.531 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.325 -20.406 -5.075 1.00 0.00 H new ATOM 1405 N GLY A 91 -6.598 -25.416 1.788 1.00 0.00 N ATOM 1406 CA GLY A 91 -6.031 -24.105 2.143 1.00 0.00 C ATOM 1407 C GLY A 91 -6.152 -23.746 3.630 1.00 0.00 C ATOM 1408 O GLY A 91 -6.270 -22.571 3.983 1.00 0.00 O ATOM 0 HA2 GLY A 91 -4.978 -24.090 1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.529 -23.335 1.554 1.00 0.00 H new ATOM 1412 N VAL A 92 -6.163 -24.758 4.501 1.00 0.00 N ATOM 1413 CA VAL A 92 -6.031 -24.628 5.960 1.00 0.00 C ATOM 1414 C VAL A 92 -4.671 -24.033 6.366 1.00 0.00 C ATOM 1415 O VAL A 92 -3.724 -23.990 5.573 1.00 0.00 O ATOM 1416 CB VAL A 92 -6.226 -25.993 6.658 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -7.688 -26.449 6.637 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -5.379 -27.104 6.031 1.00 0.00 C ATOM 0 H VAL A 92 -6.268 -25.727 4.202 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.814 -23.942 6.284 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.903 -25.828 7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.776 -27.413 7.139 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.306 -25.714 7.153 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.024 -26.546 5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.556 -28.040 6.561 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.653 -27.223 4.983 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.324 -26.841 6.102 1.00 0.00 H new ATOM 1428 N CYS A 93 -4.572 -23.605 7.626 1.00 0.00 N ATOM 1429 CA CYS A 93 -3.341 -23.165 8.278 1.00 0.00 C ATOM 1430 C CYS A 93 -2.270 -24.280 8.346 1.00 0.00 C ATOM 1431 O CYS A 93 -2.561 -25.456 8.094 1.00 0.00 O ATOM 1432 CB CYS A 93 -3.782 -22.620 9.639 1.00 0.00 C ATOM 1433 SG CYS A 93 -2.482 -21.809 10.657 1.00 0.00 S ATOM 0 H CYS A 93 -5.382 -23.554 8.244 1.00 0.00 H new ATOM 0 HA CYS A 93 -2.829 -22.388 7.710 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -4.585 -21.901 9.475 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -4.204 -23.443 10.216 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.009 -20.836 11.339 1.00 0.00 H new ATOM 1438 N GLU A 94 -1.018 -23.919 8.661 1.00 0.00 N ATOM 1439 CA GLU A 94 0.068 -24.906 8.780 1.00 0.00 C ATOM 1440 C GLU A 94 0.215 -25.499 10.195 1.00 0.00 C ATOM 1441 O GLU A 94 0.624 -26.656 10.335 1.00 0.00 O ATOM 1442 CB GLU A 94 1.408 -24.422 8.198 1.00 0.00 C ATOM 1443 CG GLU A 94 2.285 -23.612 9.156 1.00 0.00 C ATOM 1444 CD GLU A 94 3.697 -23.322 8.588 1.00 0.00 C ATOM 1445 OE1 GLU A 94 3.905 -23.337 7.348 1.00 0.00 O ATOM 1446 OE2 GLU A 94 4.641 -23.138 9.396 1.00 0.00 O ATOM 0 H GLU A 94 -0.732 -22.956 8.837 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.247 -25.735 8.146 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.974 -25.291 7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.204 -23.814 7.317 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.790 -22.668 9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.382 -24.154 10.097 1.00 0.00 H new ATOM 1453 N LYS A 95 -0.104 -24.718 11.241 1.00 0.00 N ATOM 1454 CA LYS A 95 0.018 -25.111 12.657 1.00 0.00 C ATOM 1455 C LYS A 95 -1.294 -25.684 13.194 1.00 0.00 C ATOM 1456 O LYS A 95 -1.341 -26.856 13.574 1.00 0.00 O ATOM 1457 CB LYS A 95 0.500 -23.934 13.515 1.00 0.00 C ATOM 1458 CG LYS A 95 1.856 -23.391 13.042 1.00 0.00 C ATOM 1459 CD LYS A 95 2.468 -22.429 14.064 1.00 0.00 C ATOM 1460 CE LYS A 95 3.057 -23.191 15.262 1.00 0.00 C ATOM 1461 NZ LYS A 95 3.700 -22.281 16.246 1.00 0.00 N ATOM 0 H LYS A 95 -0.463 -23.771 11.123 1.00 0.00 H new ATOM 0 HA LYS A 95 0.768 -25.900 12.717 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.241 -23.135 13.483 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.580 -24.253 14.554 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.540 -24.222 12.869 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.730 -22.878 12.089 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.249 -21.836 13.587 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.706 -21.732 14.412 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.266 -23.756 15.755 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.790 -23.914 14.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.083 -22.839 17.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.472 -21.760 15.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.995 -21.607 16.607 1.00 0.00 H new ATOM 1475 N CYS A 96 -2.347 -24.862 13.214 1.00 0.00 N ATOM 1476 CA CYS A 96 -3.736 -25.316 13.336 1.00 0.00 C ATOM 1477 C CYS A 96 -4.269 -25.829 11.970 1.00 0.00 C ATOM 1478 O CYS A 96 -3.558 -25.762 10.964 1.00 0.00 O ATOM 1479 CB CYS A 96 -4.573 -24.228 14.045 1.00 0.00 C ATOM 1480 SG CYS A 96 -5.036 -22.810 13.038 1.00 0.00 S ATOM 0 H CYS A 96 -2.258 -23.848 13.145 1.00 0.00 H new ATOM 0 HA CYS A 96 -3.816 -26.191 13.981 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -5.483 -24.690 14.428 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.011 -23.869 14.907 1.00 0.00 H new ATOM 0 HG CYS A 96 -4.029 -22.457 12.296 1.00 0.00 H new ATOM 1485 N HIS A 97 -5.484 -26.392 11.914 1.00 0.00 N ATOM 1486 CA HIS A 97 -6.019 -27.084 10.723 1.00 0.00 C ATOM 1487 C HIS A 97 -7.368 -26.509 10.246 1.00 0.00 C ATOM 1488 O HIS A 97 -8.316 -27.247 9.960 1.00 0.00 O ATOM 1489 CB HIS A 97 -6.100 -28.601 10.963 1.00 0.00 C ATOM 1490 CG HIS A 97 -4.884 -29.240 11.593 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -4.897 -30.146 12.631 1.00 0.00 N ATOM 1492 CD2 HIS A 97 -3.582 -29.056 11.218 1.00 0.00 C ATOM 1493 CE1 HIS A 97 -3.625 -30.505 12.880 1.00 0.00 C ATOM 1494 NE2 HIS A 97 -2.788 -29.869 12.040 1.00 0.00 N ATOM 0 H HIS A 97 -6.133 -26.382 12.700 1.00 0.00 H new ATOM 0 HA HIS A 97 -5.315 -26.903 9.911 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -6.962 -28.802 11.599 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.288 -29.090 10.007 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.230 -28.404 10.433 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.319 -31.204 13.645 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -1.773 -29.960 12.007 1.00 0.00 H new ATOM 1502 N SER A 98 -7.457 -25.182 10.156 1.00 0.00 N ATOM 1503 CA SER A 98 -8.669 -24.446 9.767 1.00 0.00 C ATOM 1504 C SER A 98 -8.350 -23.309 8.790 1.00 0.00 C ATOM 1505 O SER A 98 -7.229 -22.801 8.746 1.00 0.00 O ATOM 1506 CB SER A 98 -9.363 -23.895 11.024 1.00 0.00 C ATOM 1507 OG SER A 98 -9.869 -24.943 11.840 1.00 0.00 O ATOM 0 H SER A 98 -6.668 -24.568 10.357 1.00 0.00 H new ATOM 0 HA SER A 98 -9.339 -25.137 9.255 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.657 -23.294 11.597 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.179 -23.234 10.731 1.00 0.00 H new ATOM 0 HG SER A 98 -10.303 -24.561 12.631 1.00 0.00 H new ATOM 1513 N LYS A 99 -9.348 -22.905 7.992 1.00 0.00 N ATOM 1514 CA LYS A 99 -9.278 -21.836 6.971 1.00 0.00 C ATOM 1515 C LYS A 99 -9.582 -20.425 7.514 1.00 0.00 C ATOM 1516 O LYS A 99 -9.849 -19.505 6.744 1.00 0.00 O ATOM 1517 CB LYS A 99 -10.213 -22.193 5.797 1.00 0.00 C ATOM 1518 CG LYS A 99 -9.905 -23.577 5.204 1.00 0.00 C ATOM 1519 CD LYS A 99 -10.629 -23.786 3.870 1.00 0.00 C ATOM 1520 CE LYS A 99 -10.245 -25.140 3.265 1.00 0.00 C ATOM 1521 NZ LYS A 99 -11.068 -26.269 3.772 1.00 0.00 N ATOM 0 H LYS A 99 -10.273 -23.332 8.039 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.244 -21.789 6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.247 -22.169 6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.118 -21.437 5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.830 -23.681 5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.206 -24.352 5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.707 -23.740 4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.371 -22.984 3.178 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.344 -25.086 2.181 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.195 -25.341 3.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.757 -27.154 3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.955 -26.345 4.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.068 -26.099 3.545 1.00 0.00 H new ATOM 1535 N ASN A 100 -9.570 -20.247 8.838 1.00 0.00 N ATOM 1536 CA ASN A 100 -9.971 -19.028 9.561 1.00 0.00 C ATOM 1537 C ASN A 100 -9.067 -17.789 9.347 1.00 0.00 C ATOM 1538 O ASN A 100 -9.300 -16.752 9.970 1.00 0.00 O ATOM 1539 CB ASN A 100 -10.070 -19.374 11.062 1.00 0.00 C ATOM 1540 CG ASN A 100 -8.719 -19.693 11.687 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -8.392 -20.841 11.933 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -7.893 -18.700 11.922 1.00 0.00 N ATOM 0 H ASN A 100 -9.265 -20.986 9.471 1.00 0.00 H new ATOM 0 HA ASN A 100 -10.931 -18.723 9.145 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.522 -18.537 11.594 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -10.735 -20.229 11.190 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -6.970 -18.886 12.313 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.175 -17.742 11.713 1.00 0.00 H new ATOM 1549 N VAL A 101 -7.990 -17.901 8.567 1.00 0.00 N ATOM 1550 CA VAL A 101 -7.028 -16.821 8.299 1.00 0.00 C ATOM 1551 C VAL A 101 -7.672 -15.575 7.669 1.00 0.00 C ATOM 1552 O VAL A 101 -8.674 -15.662 6.955 1.00 0.00 O ATOM 1553 CB VAL A 101 -5.859 -17.319 7.425 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -5.027 -18.378 8.153 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -6.302 -17.913 6.080 1.00 0.00 C ATOM 0 H VAL A 101 -7.753 -18.770 8.088 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.642 -16.519 9.272 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.265 -16.427 7.228 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.212 -18.707 7.508 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.616 -17.952 9.068 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.660 -19.230 8.401 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.426 -18.241 5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.959 -18.764 6.257 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.836 -17.156 5.506 1.00 0.00 H new ATOM 1565 N ILE A 102 -7.065 -14.410 7.908 1.00 0.00 N ATOM 1566 CA ILE A 102 -7.487 -13.091 7.411 1.00 0.00 C ATOM 1567 C ILE A 102 -6.327 -12.332 6.754 1.00 0.00 C ATOM 1568 O ILE A 102 -5.156 -12.539 7.081 1.00 0.00 O ATOM 1569 CB ILE A 102 -8.146 -12.236 8.521 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -7.211 -11.863 9.701 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -9.471 -12.861 8.994 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -7.067 -12.895 10.830 1.00 0.00 C ATOM 0 H ILE A 102 -6.223 -14.354 8.482 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.241 -13.275 6.646 1.00 0.00 H new ATOM 0 HB ILE A 102 -8.370 -11.278 8.052 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.219 -11.663 9.297 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.571 -10.932 10.137 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -9.909 -12.238 9.773 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -10.161 -12.930 8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.282 -13.858 9.391 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.387 -12.510 11.590 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -8.043 -13.083 11.278 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.669 -13.825 10.424 1.00 0.00 H new ATOM 1584 N ILE A 103 -6.654 -11.424 5.832 1.00 0.00 N ATOM 1585 CA ILE A 103 -5.688 -10.629 5.074 1.00 0.00 C ATOM 1586 C ILE A 103 -5.138 -9.527 5.986 1.00 0.00 C ATOM 1587 O ILE A 103 -5.854 -8.585 6.332 1.00 0.00 O ATOM 1588 CB ILE A 103 -6.293 -10.052 3.769 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -6.871 -11.087 2.772 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -5.161 -9.325 3.024 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -8.183 -11.771 3.181 1.00 0.00 C ATOM 0 H ILE A 103 -7.622 -11.217 5.586 1.00 0.00 H new ATOM 0 HA ILE A 103 -4.871 -11.276 4.754 1.00 0.00 H new ATOM 0 HB ILE A 103 -7.126 -9.424 4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -7.030 -10.588 1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -6.120 -11.860 2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.548 -8.903 2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.769 -8.524 3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.363 -10.032 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -8.486 -12.472 2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.036 -12.309 4.118 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.960 -11.018 3.313 1.00 0.00 H new ATOM 1603 N THR A 104 -3.869 -9.644 6.386 1.00 0.00 N ATOM 1604 CA THR A 104 -3.177 -8.635 7.214 1.00 0.00 C ATOM 1605 C THR A 104 -2.444 -7.587 6.355 1.00 0.00 C ATOM 1606 O THR A 104 -2.029 -6.533 6.840 1.00 0.00 O ATOM 1607 CB THR A 104 -2.250 -9.327 8.233 1.00 0.00 C ATOM 1608 OG1 THR A 104 -1.770 -8.407 9.188 1.00 0.00 O ATOM 1609 CG2 THR A 104 -1.049 -10.038 7.607 1.00 0.00 C ATOM 0 H THR A 104 -3.283 -10.444 6.146 1.00 0.00 H new ATOM 0 HA THR A 104 -3.927 -8.079 7.777 1.00 0.00 H new ATOM 0 HB THR A 104 -2.876 -10.086 8.702 1.00 0.00 H new ATOM 0 HG1 THR A 104 -1.780 -7.504 8.807 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.449 -10.498 8.392 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.400 -10.808 6.920 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.442 -9.315 7.062 1.00 0.00 H new ATOM 1617 N GLN A 105 -2.307 -7.857 5.050 1.00 0.00 N ATOM 1618 CA GLN A 105 -1.554 -7.074 4.072 1.00 0.00 C ATOM 1619 C GLN A 105 -2.059 -7.432 2.670 1.00 0.00 C ATOM 1620 O GLN A 105 -2.168 -8.611 2.340 1.00 0.00 O ATOM 1621 CB GLN A 105 -0.056 -7.401 4.249 1.00 0.00 C ATOM 1622 CG GLN A 105 0.845 -7.144 3.031 1.00 0.00 C ATOM 1623 CD GLN A 105 0.783 -5.716 2.485 1.00 0.00 C ATOM 1624 OE1 GLN A 105 0.699 -4.739 3.216 1.00 0.00 O ATOM 1625 NE2 GLN A 105 0.796 -5.549 1.182 1.00 0.00 N ATOM 0 H GLN A 105 -2.746 -8.676 4.628 1.00 0.00 H new ATOM 0 HA GLN A 105 -1.692 -6.002 4.215 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.325 -6.816 5.086 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.035 -8.451 4.526 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.876 -7.371 3.303 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.566 -7.836 2.236 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.866 -6.358 0.565 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.736 -4.610 0.788 1.00 0.00 H new ATOM 1634 N GLY A 106 -2.349 -6.424 1.845 1.00 0.00 N ATOM 1635 CA GLY A 106 -2.686 -6.575 0.423 1.00 0.00 C ATOM 1636 C GLY A 106 -4.162 -6.342 0.069 1.00 0.00 C ATOM 1637 O GLY A 106 -4.501 -6.214 -1.109 1.00 0.00 O ATOM 0 H GLY A 106 -2.357 -5.452 2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.077 -5.879 -0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.408 -7.580 0.106 1.00 0.00 H new ATOM 1641 N ASN A 107 -5.035 -6.255 1.079 1.00 0.00 N ATOM 1642 CA ASN A 107 -6.463 -5.936 0.949 1.00 0.00 C ATOM 1643 C ASN A 107 -6.700 -4.487 0.466 1.00 0.00 C ATOM 1644 O ASN A 107 -7.653 -4.201 -0.260 1.00 0.00 O ATOM 1645 CB ASN A 107 -7.101 -6.164 2.335 1.00 0.00 C ATOM 1646 CG ASN A 107 -8.620 -6.237 2.345 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -9.296 -6.353 1.332 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -9.205 -6.220 3.521 1.00 0.00 N ATOM 0 H ASN A 107 -4.756 -6.411 2.048 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.917 -6.577 0.194 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.706 -7.091 2.751 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.788 -5.358 2.998 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.219 -6.303 3.587 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.645 -6.123 4.368 1.00 0.00 H new ATOM 1655 N GLU A 108 -5.819 -3.573 0.881 1.00 0.00 N ATOM 1656 CA GLU A 108 -5.856 -2.125 0.639 1.00 0.00 C ATOM 1657 C GLU A 108 -4.450 -1.591 0.294 1.00 0.00 C ATOM 1658 O GLU A 108 -3.436 -2.192 0.662 1.00 0.00 O ATOM 1659 CB GLU A 108 -6.375 -1.418 1.908 1.00 0.00 C ATOM 1660 CG GLU A 108 -7.853 -1.695 2.226 1.00 0.00 C ATOM 1661 CD GLU A 108 -8.181 -1.323 3.685 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -8.520 -0.145 3.958 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -8.110 -2.211 4.570 1.00 0.00 O ATOM 0 H GLU A 108 -5.004 -3.842 1.433 1.00 0.00 H new ATOM 0 HA GLU A 108 -6.518 -1.925 -0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.768 -1.730 2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -6.235 -0.343 1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -8.488 -1.123 1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -8.074 -2.749 2.057 1.00 0.00 H new ATOM 1670 N MET A 109 -4.384 -0.433 -0.375 1.00 0.00 N ATOM 1671 CA MET A 109 -3.135 0.291 -0.662 1.00 0.00 C ATOM 1672 C MET A 109 -2.605 1.096 0.545 1.00 0.00 C ATOM 1673 O MET A 109 -3.319 1.306 1.532 1.00 0.00 O ATOM 1674 CB MET A 109 -3.349 1.191 -1.891 1.00 0.00 C ATOM 1675 CG MET A 109 -4.254 2.401 -1.630 1.00 0.00 C ATOM 1676 SD MET A 109 -3.394 3.902 -1.083 1.00 0.00 S ATOM 1677 CE MET A 109 -2.810 4.490 -2.694 1.00 0.00 C ATOM 0 H MET A 109 -5.212 0.038 -0.740 1.00 0.00 H new ATOM 0 HA MET A 109 -2.361 -0.447 -0.875 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.380 1.545 -2.242 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.781 0.594 -2.694 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.803 2.628 -2.544 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.991 2.128 -0.875 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.236 5.407 -2.560 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.177 3.729 -3.151 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.665 4.688 -3.341 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.362 1.590 0.447 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.713 2.522 1.391 1.00 0.00 C ATOM 1689 C ARG A 110 0.399 3.356 0.737 1.00 0.00 C ATOM 1690 O ARG A 110 0.995 2.939 -0.253 1.00 0.00 O ATOM 1691 CB ARG A 110 -0.140 1.732 2.588 1.00 0.00 C ATOM 1692 CG ARG A 110 0.881 0.640 2.195 1.00 0.00 C ATOM 1693 CD ARG A 110 1.678 0.143 3.407 1.00 0.00 C ATOM 1694 NE ARG A 110 2.552 1.213 3.923 1.00 0.00 N ATOM 1695 CZ ARG A 110 3.149 1.302 5.093 1.00 0.00 C ATOM 1696 NH1 ARG A 110 3.090 0.353 5.984 1.00 0.00 N ATOM 1697 NH2 ARG A 110 3.818 2.380 5.380 1.00 0.00 N ATOM 0 H ARG A 110 -0.749 1.340 -0.329 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.478 3.221 1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.338 2.431 3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.963 1.266 3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.358 -0.198 1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.567 1.036 1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.994 -0.186 4.190 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.279 -0.722 3.125 1.00 0.00 H new ATOM 0 HE ARG A 110 2.717 1.992 3.285 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.566 -0.500 5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.568 0.463 6.879 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.874 3.141 4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.286 2.465 6.282 1.00 0.00 H new ATOM 1711 N LEU A 111 0.764 4.491 1.337 1.00 0.00 N ATOM 1712 CA LEU A 111 2.028 5.183 1.035 1.00 0.00 C ATOM 1713 C LEU A 111 3.220 4.396 1.623 1.00 0.00 C ATOM 1714 O LEU A 111 3.083 3.700 2.634 1.00 0.00 O ATOM 1715 CB LEU A 111 1.993 6.626 1.585 1.00 0.00 C ATOM 1716 CG LEU A 111 1.333 7.665 0.654 1.00 0.00 C ATOM 1717 CD1 LEU A 111 -0.145 7.387 0.368 1.00 0.00 C ATOM 1718 CD2 LEU A 111 1.436 9.057 1.278 1.00 0.00 C ATOM 0 H LEU A 111 0.197 4.959 2.044 1.00 0.00 H new ATOM 0 HA LEU A 111 2.154 5.235 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.460 6.623 2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.015 6.944 1.793 1.00 0.00 H new ATOM 0 HG LEU A 111 1.872 7.601 -0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.539 8.159 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.246 6.413 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.704 7.391 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.969 9.787 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.927 9.062 2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.485 9.315 1.420 1.00 0.00 H new ATOM 1730 N LEU A 112 4.399 4.531 1.012 1.00 0.00 N ATOM 1731 CA LEU A 112 5.649 3.881 1.435 1.00 0.00 C ATOM 1732 C LEU A 112 6.701 4.908 1.879 1.00 0.00 C ATOM 1733 O LEU A 112 7.194 4.826 3.005 1.00 0.00 O ATOM 1734 CB LEU A 112 6.173 2.964 0.309 1.00 0.00 C ATOM 1735 CG LEU A 112 5.307 1.716 0.051 1.00 0.00 C ATOM 1736 CD1 LEU A 112 5.779 1.006 -1.220 1.00 0.00 C ATOM 1737 CD2 LEU A 112 5.389 0.720 1.210 1.00 0.00 C ATOM 0 H LEU A 112 4.518 5.113 0.183 1.00 0.00 H new ATOM 0 HA LEU A 112 5.440 3.262 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.240 3.542 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.185 2.644 0.558 1.00 0.00 H new ATOM 0 HG LEU A 112 4.277 2.056 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.162 0.125 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.693 1.684 -2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 112 6.819 0.703 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.765 -0.146 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.422 0.399 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.038 1.197 2.125 1.00 0.00 H new ATOM 1749 N SER A 113 7.044 5.875 1.020 1.00 0.00 N ATOM 1750 CA SER A 113 7.982 6.967 1.333 1.00 0.00 C ATOM 1751 C SER A 113 7.804 8.174 0.397 1.00 0.00 C ATOM 1752 O SER A 113 7.118 8.073 -0.623 1.00 0.00 O ATOM 1753 CB SER A 113 9.424 6.446 1.237 1.00 0.00 C ATOM 1754 OG SER A 113 10.305 7.281 1.970 1.00 0.00 O ATOM 0 H SER A 113 6.673 5.924 0.071 1.00 0.00 H new ATOM 0 HA SER A 113 7.768 7.306 2.347 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.475 5.427 1.622 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.734 6.408 0.193 1.00 0.00 H new ATOM 0 HG SER A 113 11.219 6.934 1.900 1.00 0.00 H new ATOM 1760 N LEU A 114 8.450 9.302 0.710 1.00 0.00 N ATOM 1761 CA LEU A 114 8.570 10.485 -0.157 1.00 0.00 C ATOM 1762 C LEU A 114 10.050 10.856 -0.376 1.00 0.00 C ATOM 1763 O LEU A 114 10.937 10.426 0.364 1.00 0.00 O ATOM 1764 CB LEU A 114 7.815 11.722 0.395 1.00 0.00 C ATOM 1765 CG LEU A 114 6.629 11.542 1.366 1.00 0.00 C ATOM 1766 CD1 LEU A 114 6.208 12.910 1.907 1.00 0.00 C ATOM 1767 CD2 LEU A 114 5.397 10.917 0.716 1.00 0.00 C ATOM 0 H LEU A 114 8.922 9.423 1.606 1.00 0.00 H new ATOM 0 HA LEU A 114 8.108 10.208 -1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 114 8.550 12.351 0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 114 7.447 12.285 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 114 6.979 10.870 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 114 5.370 12.788 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 114 7.046 13.366 2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.908 13.552 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.604 10.821 1.457 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.055 11.552 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.651 9.931 0.327 1.00 0.00 H new ATOM 1779 N GLU A 115 10.303 11.737 -1.340 1.00 0.00 N ATOM 1780 CA GLU A 115 11.591 12.389 -1.593 1.00 0.00 C ATOM 1781 C GLU A 115 11.395 13.901 -1.784 1.00 0.00 C ATOM 1782 O GLU A 115 10.456 14.342 -2.447 1.00 0.00 O ATOM 1783 CB GLU A 115 12.260 11.776 -2.840 1.00 0.00 C ATOM 1784 CG GLU A 115 12.695 10.309 -2.689 1.00 0.00 C ATOM 1785 CD GLU A 115 13.806 10.071 -1.638 1.00 0.00 C ATOM 1786 OE1 GLU A 115 14.495 11.033 -1.215 1.00 0.00 O ATOM 1787 OE2 GLU A 115 14.032 8.895 -1.262 1.00 0.00 O ATOM 0 H GLU A 115 9.583 12.032 -1.999 1.00 0.00 H new ATOM 0 HA GLU A 115 12.240 12.229 -0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.567 11.849 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 115 13.135 12.374 -3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.824 9.711 -2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 115 13.044 9.946 -3.656 1.00 0.00 H new ATOM 1794 N MET A 116 12.305 14.702 -1.228 1.00 0.00 N ATOM 1795 CA MET A 116 12.374 16.166 -1.336 1.00 0.00 C ATOM 1796 C MET A 116 13.820 16.592 -1.618 1.00 0.00 C ATOM 1797 O MET A 116 14.728 16.248 -0.857 1.00 0.00 O ATOM 1798 CB MET A 116 11.885 16.824 -0.033 1.00 0.00 C ATOM 1799 CG MET A 116 10.424 16.531 0.321 1.00 0.00 C ATOM 1800 SD MET A 116 9.963 17.156 1.961 1.00 0.00 S ATOM 1801 CE MET A 116 8.279 16.508 2.084 1.00 0.00 C ATOM 0 H MET A 116 13.061 14.327 -0.655 1.00 0.00 H new ATOM 0 HA MET A 116 11.731 16.490 -2.154 1.00 0.00 H new ATOM 0 HB2 MET A 116 12.518 16.488 0.788 1.00 0.00 H new ATOM 0 HB3 MET A 116 12.016 17.903 -0.115 1.00 0.00 H new ATOM 0 HG2 MET A 116 9.775 16.981 -0.430 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.255 15.455 0.286 1.00 0.00 H new ATOM 0 HE1 MET A 116 7.948 16.549 3.122 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.612 17.109 1.467 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.261 15.475 1.738 1.00 0.00 H new ATOM 1811 N LEU A 117 14.037 17.318 -2.719 1.00 0.00 N ATOM 1812 CA LEU A 117 15.359 17.735 -3.203 1.00 0.00 C ATOM 1813 C LEU A 117 15.378 19.195 -3.692 1.00 0.00 C ATOM 1814 O LEU A 117 14.352 19.757 -4.081 1.00 0.00 O ATOM 1815 CB LEU A 117 15.794 16.775 -4.331 1.00 0.00 C ATOM 1816 CG LEU A 117 16.260 15.371 -3.893 1.00 0.00 C ATOM 1817 CD1 LEU A 117 16.743 14.593 -5.119 1.00 0.00 C ATOM 1818 CD2 LEU A 117 17.431 15.397 -2.906 1.00 0.00 C ATOM 0 H LEU A 117 13.276 17.642 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 117 16.061 17.686 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 117 14.959 16.658 -5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 117 16.604 17.246 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 117 15.401 14.909 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 117 17.073 13.600 -4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 117 15.927 14.499 -5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 117 17.574 15.125 -5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 117 17.706 14.376 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 117 18.284 15.895 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 117 17.137 15.938 -2.007 1.00 0.00 H new