USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 679 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 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 24 SER OG : rot 180:sc= -0.0658 USER MOD Set 2.2: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.534 X(o=-0.53,f=-0.15) USER MOD Single : A 14 ASN : amide:sc= -0.347 K(o=-0.35,f=-3.5!) USER MOD Single : A 17 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.091) USER MOD Single : A 20 MET CE :methyl 152:sc= -2.47! (180deg=-5.11!) USER MOD Single : A 32 LYS NZ :NH3+ -167:sc=-0.00673 (180deg=-0.137) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.12 K(o=-0.12,f=-0.72) USER MOD Single : A 41 GLN : amide:sc= -0.717 K(o=-0.72,f=-1.6) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -170:sc= -2.39! (180deg=-2.83!) USER MOD Single : A 50 MET CE :methyl -158:sc= -1.11 (180deg=-2.5) USER MOD Single : A 56 GLN : amide:sc= -2.87! X(o=-2.9!,f=-2.6) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 75 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.62) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -114:sc= -1.69! (180deg=-3.9!) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.382 20.437 27.287 1.00 0.00 N ATOM 2 CA GLY A 1 21.090 19.392 28.252 1.00 0.00 C ATOM 3 C GLY A 1 21.136 18.007 27.639 1.00 0.00 C ATOM 4 O GLY A 1 20.493 17.750 26.621 1.00 0.00 O ATOM 0 H1 GLY A 1 21.338 21.364 27.756 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.335 20.292 26.896 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.683 20.404 26.518 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.807 19.447 29.071 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.103 19.563 28.681 1.00 0.00 H new ATOM 8 N SER A 2 21.900 17.113 28.258 1.00 0.00 N ATOM 9 CA SER A 2 22.032 15.747 27.763 1.00 0.00 C ATOM 10 C SER A 2 20.665 15.082 27.632 1.00 0.00 C ATOM 11 O SER A 2 19.971 14.864 28.624 1.00 0.00 O ATOM 12 CB SER A 2 22.923 14.927 28.699 1.00 0.00 C ATOM 13 OG SER A 2 23.539 13.855 28.007 1.00 0.00 O ATOM 0 H SER A 2 22.437 17.309 29.103 1.00 0.00 H new ATOM 0 HA SER A 2 22.493 15.787 26.776 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.688 15.570 29.134 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.327 14.537 29.524 1.00 0.00 H new ATOM 0 HG SER A 2 24.104 13.348 28.626 1.00 0.00 H new ATOM 19 N SER A 3 20.286 14.764 26.398 1.00 0.00 N ATOM 20 CA SER A 3 19.001 14.127 26.135 1.00 0.00 C ATOM 21 C SER A 3 19.187 12.832 25.351 1.00 0.00 C ATOM 22 O SER A 3 20.234 12.603 24.748 1.00 0.00 O ATOM 23 CB SER A 3 18.086 15.078 25.360 1.00 0.00 C ATOM 24 OG SER A 3 18.733 15.578 24.202 1.00 0.00 O ATOM 0 H SER A 3 20.850 14.937 25.566 1.00 0.00 H new ATOM 0 HA SER A 3 18.539 13.888 27.093 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.173 14.556 25.073 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.791 15.908 26.002 1.00 0.00 H new ATOM 0 HG SER A 3 18.127 16.182 23.724 1.00 0.00 H new ATOM 30 N GLY A 4 18.160 11.986 25.365 1.00 0.00 N ATOM 31 CA GLY A 4 18.230 10.723 24.653 1.00 0.00 C ATOM 32 C GLY A 4 17.032 10.500 23.751 1.00 0.00 C ATOM 33 O GLY A 4 15.887 10.578 24.197 1.00 0.00 O ATOM 0 H GLY A 4 17.282 12.153 25.856 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.141 10.696 24.055 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.296 9.907 25.372 1.00 0.00 H new ATOM 37 N SER A 5 17.295 10.224 22.478 1.00 0.00 N ATOM 38 CA SER A 5 16.230 9.994 21.509 1.00 0.00 C ATOM 39 C SER A 5 15.622 8.606 21.689 1.00 0.00 C ATOM 40 O SER A 5 14.402 8.450 21.720 1.00 0.00 O ATOM 41 CB SER A 5 16.765 10.148 20.084 1.00 0.00 C ATOM 42 OG SER A 5 15.800 9.740 19.130 1.00 0.00 O ATOM 0 H SER A 5 18.237 10.154 22.093 1.00 0.00 H new ATOM 0 HA SER A 5 15.451 10.738 21.679 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.040 11.188 19.906 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.671 9.554 19.966 1.00 0.00 H new ATOM 0 HG SER A 5 16.166 9.849 18.227 1.00 0.00 H new ATOM 48 N SER A 6 16.484 7.600 21.807 1.00 0.00 N ATOM 49 CA SER A 6 16.033 6.224 21.979 1.00 0.00 C ATOM 50 C SER A 6 15.047 5.834 20.883 1.00 0.00 C ATOM 51 O SER A 6 14.018 5.215 21.150 1.00 0.00 O ATOM 52 CB SER A 6 15.383 6.047 23.353 1.00 0.00 C ATOM 53 OG SER A 6 16.345 6.143 24.389 1.00 0.00 O ATOM 0 H SER A 6 17.498 7.712 21.787 1.00 0.00 H new ATOM 0 HA SER A 6 16.903 5.571 21.909 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.614 6.806 23.495 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.887 5.078 23.402 1.00 0.00 H new ATOM 0 HG SER A 6 15.904 6.028 25.257 1.00 0.00 H new ATOM 59 N GLY A 7 15.370 6.201 19.647 1.00 0.00 N ATOM 60 CA GLY A 7 14.503 5.882 18.527 1.00 0.00 C ATOM 61 C GLY A 7 14.400 7.019 17.531 1.00 0.00 C ATOM 62 O GLY A 7 13.594 7.933 17.702 1.00 0.00 O ATOM 0 H GLY A 7 16.217 6.714 19.401 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.880 4.993 18.021 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.508 5.638 18.900 1.00 0.00 H new ATOM 66 N HIS A 8 15.220 6.964 16.486 1.00 0.00 N ATOM 67 CA HIS A 8 15.219 7.999 15.458 1.00 0.00 C ATOM 68 C HIS A 8 13.794 8.424 15.117 1.00 0.00 C ATOM 69 O HIS A 8 12.853 7.642 15.253 1.00 0.00 O ATOM 70 CB HIS A 8 15.929 7.499 14.200 1.00 0.00 C ATOM 71 CG HIS A 8 17.286 6.924 14.467 1.00 0.00 C ATOM 72 ND1 HIS A 8 18.439 7.681 14.459 1.00 0.00 N ATOM 73 CD2 HIS A 8 17.671 5.658 14.752 1.00 0.00 C ATOM 74 CE1 HIS A 8 19.474 6.906 14.726 1.00 0.00 C ATOM 75 NE2 HIS A 8 19.036 5.673 14.909 1.00 0.00 N ATOM 0 H HIS A 8 15.893 6.214 16.329 1.00 0.00 H new ATOM 0 HA HIS A 8 15.754 8.865 15.848 1.00 0.00 H new ATOM 0 HB2 HIS A 8 15.310 6.741 13.720 1.00 0.00 H new ATOM 0 HB3 HIS A 8 16.025 8.324 13.495 1.00 0.00 H new ATOM 0 HD2 HIS A 8 17.026 4.797 14.840 1.00 0.00 H new ATOM 0 HE1 HIS A 8 20.504 7.226 14.785 1.00 0.00 H new ATOM 0 HE2 HIS A 8 19.616 4.864 15.131 1.00 0.00 H new ATOM 84 N GLY A 9 13.642 9.668 14.673 1.00 0.00 N ATOM 85 CA GLY A 9 12.328 10.175 14.321 1.00 0.00 C ATOM 86 C GLY A 9 11.583 10.735 15.516 1.00 0.00 C ATOM 87 O GLY A 9 10.709 10.073 16.077 1.00 0.00 O ATOM 0 H GLY A 9 14.405 10.334 14.551 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.433 10.953 13.565 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.741 9.373 13.874 1.00 0.00 H new ATOM 91 N ASP A 10 11.929 11.956 15.908 1.00 0.00 N ATOM 92 CA ASP A 10 11.287 12.605 17.045 1.00 0.00 C ATOM 93 C ASP A 10 9.789 12.319 17.059 1.00 0.00 C ATOM 94 O ASP A 10 9.120 12.405 16.030 1.00 0.00 O ATOM 95 CB ASP A 10 11.530 14.115 17.002 1.00 0.00 C ATOM 96 CG ASP A 10 12.971 14.478 17.302 1.00 0.00 C ATOM 97 OD1 ASP A 10 13.876 13.785 16.791 1.00 0.00 O ATOM 98 OD2 ASP A 10 13.194 15.454 18.048 1.00 0.00 O ATOM 0 H ASP A 10 12.651 12.517 15.455 1.00 0.00 H new ATOM 0 HA ASP A 10 11.725 12.200 17.958 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.260 14.496 16.017 1.00 0.00 H new ATOM 0 HB3 ASP A 10 10.877 14.606 17.723 1.00 0.00 H new ATOM 103 N GLY A 11 9.268 11.976 18.233 1.00 0.00 N ATOM 104 CA GLY A 11 7.853 11.681 18.359 1.00 0.00 C ATOM 105 C GLY A 11 7.462 10.401 17.647 1.00 0.00 C ATOM 106 O GLY A 11 8.307 9.577 17.298 1.00 0.00 O ATOM 0 H GLY A 11 9.801 11.897 19.099 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.595 11.599 19.415 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.274 12.511 17.953 1.00 0.00 H new ATOM 110 N PRO A 12 6.152 10.220 17.424 1.00 0.00 N ATOM 111 CA PRO A 12 5.621 9.032 16.748 1.00 0.00 C ATOM 112 C PRO A 12 5.978 9.000 15.266 1.00 0.00 C ATOM 113 O PRO A 12 6.432 7.980 14.749 1.00 0.00 O ATOM 114 CB PRO A 12 4.107 9.168 16.930 1.00 0.00 C ATOM 115 CG PRO A 12 3.875 10.630 17.100 1.00 0.00 C ATOM 116 CD PRO A 12 5.088 11.161 17.813 1.00 0.00 C ATOM 0 HA PRO A 12 6.033 8.111 17.159 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.568 8.780 16.066 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.761 8.609 17.799 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.744 11.119 16.135 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.970 10.817 17.678 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.321 12.180 17.505 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.943 11.179 18.893 1.00 0.00 H new ATOM 124 N GLY A 13 5.771 10.125 14.587 1.00 0.00 N ATOM 125 CA GLY A 13 6.077 10.204 13.171 1.00 0.00 C ATOM 126 C GLY A 13 5.232 9.257 12.341 1.00 0.00 C ATOM 127 O GLY A 13 5.216 8.052 12.587 1.00 0.00 O ATOM 0 H GLY A 13 5.397 10.983 14.993 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.919 11.225 12.825 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.131 9.975 13.017 1.00 0.00 H new ATOM 131 N ASN A 14 4.527 9.804 11.356 1.00 0.00 N ATOM 132 CA ASN A 14 3.674 9.000 10.489 1.00 0.00 C ATOM 133 C ASN A 14 4.292 8.853 9.102 1.00 0.00 C ATOM 134 O ASN A 14 4.422 9.827 8.363 1.00 0.00 O ATOM 135 CB ASN A 14 2.285 9.633 10.376 1.00 0.00 C ATOM 136 CG ASN A 14 2.330 11.146 10.472 1.00 0.00 C ATOM 137 OD1 ASN A 14 2.791 11.702 11.469 1.00 0.00 O ATOM 138 ND2 ASN A 14 1.850 11.819 9.433 1.00 0.00 N ATOM 0 H ASN A 14 4.530 10.801 11.139 1.00 0.00 H new ATOM 0 HA ASN A 14 3.580 8.009 10.932 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.834 9.345 9.427 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.644 9.240 11.166 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.854 12.839 9.440 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.478 11.316 8.628 1.00 0.00 H new ATOM 145 N ALA A 15 4.672 7.627 8.757 1.00 0.00 N ATOM 146 CA ALA A 15 5.274 7.351 7.459 1.00 0.00 C ATOM 147 C ALA A 15 4.211 6.991 6.426 1.00 0.00 C ATOM 148 O ALA A 15 3.266 6.260 6.722 1.00 0.00 O ATOM 149 CB ALA A 15 6.297 6.230 7.579 1.00 0.00 C ATOM 0 H ALA A 15 4.573 6.809 9.359 1.00 0.00 H new ATOM 0 HA ALA A 15 5.780 8.255 7.121 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.739 6.034 6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.079 6.525 8.278 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.806 5.327 7.943 1.00 0.00 H new ATOM 155 N VAL A 16 4.373 7.509 5.213 1.00 0.00 N ATOM 156 CA VAL A 16 3.427 7.242 4.135 1.00 0.00 C ATOM 157 C VAL A 16 4.153 6.958 2.825 1.00 0.00 C ATOM 158 O VAL A 16 5.122 7.634 2.482 1.00 0.00 O ATOM 159 CB VAL A 16 2.463 8.426 3.929 1.00 0.00 C ATOM 160 CG1 VAL A 16 3.197 9.615 3.329 1.00 0.00 C ATOM 161 CG2 VAL A 16 1.293 8.012 3.049 1.00 0.00 C ATOM 0 H VAL A 16 5.150 8.116 4.952 1.00 0.00 H new ATOM 0 HA VAL A 16 2.853 6.362 4.427 1.00 0.00 H new ATOM 0 HB VAL A 16 2.070 8.726 4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.500 10.441 3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.998 9.925 4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.620 9.333 2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.622 8.860 2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.666 7.686 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.752 7.193 3.524 1.00 0.00 H new ATOM 171 N GLN A 17 3.676 5.953 2.097 1.00 0.00 N ATOM 172 CA GLN A 17 4.280 5.579 0.824 1.00 0.00 C ATOM 173 C GLN A 17 3.218 5.428 -0.259 1.00 0.00 C ATOM 174 O GLN A 17 2.210 4.750 -0.062 1.00 0.00 O ATOM 175 CB GLN A 17 5.065 4.274 0.971 1.00 0.00 C ATOM 176 CG GLN A 17 6.512 4.479 1.390 1.00 0.00 C ATOM 177 CD GLN A 17 7.351 5.116 0.300 1.00 0.00 C ATOM 178 OE1 GLN A 17 7.818 4.438 -0.616 1.00 0.00 O ATOM 179 NE2 GLN A 17 7.547 6.426 0.393 1.00 0.00 N ATOM 0 H GLN A 17 2.874 5.384 2.367 1.00 0.00 H new ATOM 0 HA GLN A 17 4.964 6.374 0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.568 3.642 1.707 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.042 3.737 0.023 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.543 5.107 2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.947 3.517 1.663 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.141 6.949 1.169 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.103 6.910 -0.312 1.00 0.00 H new ATOM 188 N GLU A 18 3.451 6.064 -1.403 1.00 0.00 N ATOM 189 CA GLU A 18 2.512 6.000 -2.517 1.00 0.00 C ATOM 190 C GLU A 18 3.042 5.093 -3.624 1.00 0.00 C ATOM 191 O GLU A 18 4.224 5.137 -3.964 1.00 0.00 O ATOM 192 CB GLU A 18 2.248 7.401 -3.072 1.00 0.00 C ATOM 193 CG GLU A 18 1.278 8.216 -2.234 1.00 0.00 C ATOM 194 CD GLU A 18 0.605 9.319 -3.028 1.00 0.00 C ATOM 195 OE1 GLU A 18 -0.244 8.998 -3.885 1.00 0.00 O ATOM 196 OE2 GLU A 18 0.927 10.502 -2.792 1.00 0.00 O ATOM 0 H GLU A 18 4.281 6.629 -1.583 1.00 0.00 H new ATOM 0 HA GLU A 18 1.576 5.582 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.194 7.938 -3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.855 7.313 -4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.517 7.555 -1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.812 8.654 -1.391 1.00 0.00 H new ATOM 203 N ILE A 19 2.158 4.272 -4.182 1.00 0.00 N ATOM 204 CA ILE A 19 2.536 3.356 -5.251 1.00 0.00 C ATOM 205 C ILE A 19 1.513 3.377 -6.381 1.00 0.00 C ATOM 206 O ILE A 19 0.441 3.967 -6.250 1.00 0.00 O ATOM 207 CB ILE A 19 2.681 1.913 -4.730 1.00 0.00 C ATOM 208 CG1 ILE A 19 1.764 1.688 -3.526 1.00 0.00 C ATOM 209 CG2 ILE A 19 4.128 1.625 -4.363 1.00 0.00 C ATOM 210 CD1 ILE A 19 2.378 2.118 -2.212 1.00 0.00 C ATOM 0 H ILE A 19 1.176 4.223 -3.912 1.00 0.00 H new ATOM 0 HA ILE A 19 3.500 3.695 -5.631 1.00 0.00 H new ATOM 0 HB ILE A 19 2.385 1.225 -5.522 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.834 2.236 -3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.506 0.631 -3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.214 0.602 -3.997 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.758 1.749 -5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.451 2.317 -3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.673 1.930 -1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.293 1.552 -2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.611 3.182 -2.250 1.00 0.00 H new ATOM 222 N MET A 20 1.850 2.726 -7.489 1.00 0.00 N ATOM 223 CA MET A 20 0.959 2.668 -8.642 1.00 0.00 C ATOM 224 C MET A 20 0.240 1.324 -8.706 1.00 0.00 C ATOM 225 O MET A 20 0.877 0.269 -8.720 1.00 0.00 O ATOM 226 CB MET A 20 1.745 2.901 -9.934 1.00 0.00 C ATOM 227 CG MET A 20 2.131 4.354 -10.156 1.00 0.00 C ATOM 228 SD MET A 20 0.880 5.272 -11.074 1.00 0.00 S ATOM 229 CE MET A 20 -0.435 5.358 -9.861 1.00 0.00 C ATOM 0 H MET A 20 2.733 2.231 -7.613 1.00 0.00 H new ATOM 0 HA MET A 20 0.213 3.455 -8.533 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.649 2.292 -9.915 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.148 2.559 -10.780 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.293 4.834 -9.191 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.077 4.396 -10.696 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.034 6.252 -10.036 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.068 4.475 -9.947 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.005 5.400 -8.860 1.00 0.00 H new ATOM 239 N ILE A 21 -1.087 1.369 -8.744 1.00 0.00 N ATOM 240 CA ILE A 21 -1.891 0.154 -8.807 1.00 0.00 C ATOM 241 C ILE A 21 -2.827 0.177 -10.010 1.00 0.00 C ATOM 242 O ILE A 21 -3.649 1.079 -10.172 1.00 0.00 O ATOM 243 CB ILE A 21 -2.724 -0.037 -7.525 1.00 0.00 C ATOM 244 CG1 ILE A 21 -1.954 0.480 -6.309 1.00 0.00 C ATOM 245 CG2 ILE A 21 -3.088 -1.503 -7.344 1.00 0.00 C ATOM 246 CD1 ILE A 21 -0.757 -0.370 -5.945 1.00 0.00 C ATOM 0 H ILE A 21 -1.629 2.233 -8.732 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.196 -0.680 -8.906 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.646 0.537 -7.619 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.619 1.498 -6.507 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.629 0.527 -5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.676 -1.622 -6.434 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.671 -1.841 -8.200 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.177 -2.097 -7.268 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.259 0.056 -5.074 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.087 -1.383 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.061 -0.397 -6.784 1.00 0.00 H new ATOM 258 N PRO A 22 -2.704 -0.841 -10.875 1.00 0.00 N ATOM 259 CA PRO A 22 -3.533 -0.963 -12.078 1.00 0.00 C ATOM 260 C PRO A 22 -4.986 -1.289 -11.750 1.00 0.00 C ATOM 261 O PRO A 22 -5.270 -2.244 -11.027 1.00 0.00 O ATOM 262 CB PRO A 22 -2.884 -2.120 -12.840 1.00 0.00 C ATOM 263 CG PRO A 22 -2.202 -2.930 -11.792 1.00 0.00 C ATOM 264 CD PRO A 22 -1.746 -1.952 -10.745 1.00 0.00 C ATOM 0 HA PRO A 22 -3.572 -0.031 -12.643 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.629 -2.710 -13.373 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.174 -1.756 -13.583 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.881 -3.669 -11.367 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.357 -3.477 -12.210 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.772 -2.390 -9.747 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.722 -1.622 -10.922 1.00 0.00 H new ATOM 272 N ALA A 23 -5.903 -0.490 -12.286 1.00 0.00 N ATOM 273 CA ALA A 23 -7.327 -0.696 -12.052 1.00 0.00 C ATOM 274 C ALA A 23 -7.713 -2.155 -12.271 1.00 0.00 C ATOM 275 O ALA A 23 -8.717 -2.628 -11.737 1.00 0.00 O ATOM 276 CB ALA A 23 -8.147 0.211 -12.957 1.00 0.00 C ATOM 0 H ALA A 23 -5.685 0.306 -12.885 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.540 -0.443 -11.013 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.208 0.047 -12.772 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.899 1.252 -12.750 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.922 -0.015 -13.999 1.00 0.00 H new ATOM 282 N SER A 24 -6.911 -2.863 -13.059 1.00 0.00 N ATOM 283 CA SER A 24 -7.173 -4.268 -13.352 1.00 0.00 C ATOM 284 C SER A 24 -6.910 -5.137 -12.126 1.00 0.00 C ATOM 285 O SER A 24 -7.615 -6.116 -11.881 1.00 0.00 O ATOM 286 CB SER A 24 -6.304 -4.737 -14.520 1.00 0.00 C ATOM 287 OG SER A 24 -4.927 -4.662 -14.194 1.00 0.00 O ATOM 0 H SER A 24 -6.075 -2.488 -13.506 1.00 0.00 H new ATOM 0 HA SER A 24 -8.223 -4.367 -13.627 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.564 -5.763 -14.781 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.507 -4.123 -15.398 1.00 0.00 H new ATOM 0 HG SER A 24 -4.393 -4.969 -14.956 1.00 0.00 H new ATOM 293 N LYS A 25 -5.889 -4.771 -11.358 1.00 0.00 N ATOM 294 CA LYS A 25 -5.531 -5.515 -10.156 1.00 0.00 C ATOM 295 C LYS A 25 -6.179 -4.897 -8.921 1.00 0.00 C ATOM 296 O LYS A 25 -6.326 -5.554 -7.892 1.00 0.00 O ATOM 297 CB LYS A 25 -4.010 -5.547 -9.985 1.00 0.00 C ATOM 298 CG LYS A 25 -3.269 -6.021 -11.224 1.00 0.00 C ATOM 299 CD LYS A 25 -3.322 -7.533 -11.360 1.00 0.00 C ATOM 300 CE LYS A 25 -2.851 -7.985 -12.734 1.00 0.00 C ATOM 301 NZ LYS A 25 -3.953 -7.960 -13.735 1.00 0.00 N ATOM 0 H LYS A 25 -5.295 -3.964 -11.547 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.900 -6.535 -10.267 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.661 -4.548 -9.723 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.760 -6.201 -9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.706 -5.559 -12.109 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.230 -5.695 -11.175 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.699 -7.991 -10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.342 -7.879 -11.191 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.040 -7.339 -13.071 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.446 -8.995 -12.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.591 -8.275 -14.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.716 -8.596 -13.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.323 -6.992 -13.820 1.00 0.00 H new ATOM 315 N ALA A 26 -6.565 -3.630 -9.032 1.00 0.00 N ATOM 316 CA ALA A 26 -7.200 -2.925 -7.926 1.00 0.00 C ATOM 317 C ALA A 26 -8.305 -3.769 -7.299 1.00 0.00 C ATOM 318 O ALA A 26 -8.349 -3.947 -6.083 1.00 0.00 O ATOM 319 CB ALA A 26 -7.757 -1.591 -8.400 1.00 0.00 C ATOM 0 H ALA A 26 -6.449 -3.071 -9.877 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.443 -2.740 -7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.228 -1.076 -7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.947 -0.978 -8.794 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.496 -1.763 -9.183 1.00 0.00 H new ATOM 325 N GLY A 27 -9.196 -4.287 -8.139 1.00 0.00 N ATOM 326 CA GLY A 27 -10.289 -5.106 -7.648 1.00 0.00 C ATOM 327 C GLY A 27 -9.810 -6.409 -7.040 1.00 0.00 C ATOM 328 O GLY A 27 -10.551 -7.073 -6.313 1.00 0.00 O ATOM 0 H GLY A 27 -9.180 -4.154 -9.150 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.852 -4.546 -6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.974 -5.322 -8.468 1.00 0.00 H new ATOM 332 N LEU A 28 -8.569 -6.778 -7.337 1.00 0.00 N ATOM 333 CA LEU A 28 -7.992 -8.012 -6.816 1.00 0.00 C ATOM 334 C LEU A 28 -7.304 -7.767 -5.477 1.00 0.00 C ATOM 335 O LEU A 28 -7.391 -8.588 -4.563 1.00 0.00 O ATOM 336 CB LEU A 28 -6.993 -8.593 -7.817 1.00 0.00 C ATOM 337 CG LEU A 28 -7.592 -9.370 -8.990 1.00 0.00 C ATOM 338 CD1 LEU A 28 -8.032 -8.418 -10.091 1.00 0.00 C ATOM 339 CD2 LEU A 28 -6.591 -10.383 -9.527 1.00 0.00 C ATOM 0 H LEU A 28 -7.943 -6.240 -7.936 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.801 -8.727 -6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.393 -7.776 -8.217 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.313 -9.254 -7.279 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.469 -9.910 -8.633 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.456 -8.989 -10.917 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.784 -7.732 -9.700 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.172 -7.850 -10.446 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.035 -10.926 -10.361 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.695 -9.864 -9.868 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.325 -11.085 -8.737 1.00 0.00 H new ATOM 351 N VAL A 29 -6.622 -6.632 -5.366 1.00 0.00 N ATOM 352 CA VAL A 29 -5.922 -6.278 -4.137 1.00 0.00 C ATOM 353 C VAL A 29 -6.869 -5.634 -3.131 1.00 0.00 C ATOM 354 O VAL A 29 -6.635 -5.683 -1.923 1.00 0.00 O ATOM 355 CB VAL A 29 -4.753 -5.313 -4.415 1.00 0.00 C ATOM 356 CG1 VAL A 29 -5.214 -4.151 -5.282 1.00 0.00 C ATOM 357 CG2 VAL A 29 -4.156 -4.811 -3.109 1.00 0.00 C ATOM 0 H VAL A 29 -6.539 -5.942 -6.112 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.528 -7.204 -3.719 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.978 -5.854 -4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.375 -3.480 -5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.591 -4.532 -6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.007 -3.607 -4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.332 -4.131 -3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.921 -4.285 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.787 -5.657 -2.529 1.00 0.00 H new ATOM 367 N ILE A 30 -7.940 -5.031 -3.636 1.00 0.00 N ATOM 368 CA ILE A 30 -8.924 -4.379 -2.782 1.00 0.00 C ATOM 369 C ILE A 30 -10.042 -5.341 -2.396 1.00 0.00 C ATOM 370 O ILE A 30 -10.292 -5.577 -1.215 1.00 0.00 O ATOM 371 CB ILE A 30 -9.538 -3.145 -3.470 1.00 0.00 C ATOM 372 CG1 ILE A 30 -8.448 -2.126 -3.806 1.00 0.00 C ATOM 373 CG2 ILE A 30 -10.602 -2.518 -2.581 1.00 0.00 C ATOM 374 CD1 ILE A 30 -8.966 -0.904 -4.532 1.00 0.00 C ATOM 0 H ILE A 30 -8.148 -4.981 -4.633 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.397 -4.059 -1.883 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.010 -3.463 -4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.960 -1.811 -2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.688 -2.609 -4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -11.027 -1.647 -3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.390 -3.246 -2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.152 -2.211 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.138 -0.225 -4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.429 -1.208 -5.471 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.705 -0.398 -3.911 1.00 0.00 H new ATOM 386 N GLY A 31 -10.710 -5.897 -3.403 1.00 0.00 N ATOM 387 CA GLY A 31 -11.792 -6.830 -3.149 1.00 0.00 C ATOM 388 C GLY A 31 -13.140 -6.142 -3.055 1.00 0.00 C ATOM 389 O GLY A 31 -13.234 -4.922 -3.191 1.00 0.00 O ATOM 0 H GLY A 31 -10.521 -5.718 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.822 -7.573 -3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.595 -7.366 -2.220 1.00 0.00 H new ATOM 393 N LYS A 32 -14.187 -6.927 -2.823 1.00 0.00 N ATOM 394 CA LYS A 32 -15.538 -6.387 -2.712 1.00 0.00 C ATOM 395 C LYS A 32 -15.737 -5.694 -1.368 1.00 0.00 C ATOM 396 O LYS A 32 -15.850 -6.348 -0.332 1.00 0.00 O ATOM 397 CB LYS A 32 -16.570 -7.504 -2.880 1.00 0.00 C ATOM 398 CG LYS A 32 -16.687 -8.015 -4.305 1.00 0.00 C ATOM 399 CD LYS A 32 -17.880 -8.943 -4.469 1.00 0.00 C ATOM 400 CE LYS A 32 -17.642 -10.282 -3.789 1.00 0.00 C ATOM 401 NZ LYS A 32 -16.624 -11.097 -4.509 1.00 0.00 N ATOM 0 H LYS A 32 -14.126 -7.939 -2.708 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.676 -5.651 -3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -16.304 -8.334 -2.226 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.544 -7.140 -2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.785 -7.171 -4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -15.774 -8.543 -4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -18.769 -8.473 -4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -18.076 -9.102 -5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -17.314 -10.115 -2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -18.580 -10.835 -3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.647 -12.074 -4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.834 -11.094 -5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.679 -10.693 -4.349 1.00 0.00 H new ATOM 415 N GLY A 33 -15.781 -4.365 -1.393 1.00 0.00 N ATOM 416 CA GLY A 33 -15.968 -3.606 -0.171 1.00 0.00 C ATOM 417 C GLY A 33 -14.759 -3.666 0.741 1.00 0.00 C ATOM 418 O GLY A 33 -14.895 -3.741 1.961 1.00 0.00 O ATOM 0 H GLY A 33 -15.690 -3.801 -2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.179 -2.566 -0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.839 -3.989 0.361 1.00 0.00 H new ATOM 422 N GLY A 34 -13.570 -3.636 0.146 1.00 0.00 N ATOM 423 CA GLY A 34 -12.348 -3.691 0.928 1.00 0.00 C ATOM 424 C GLY A 34 -12.286 -4.914 1.822 1.00 0.00 C ATOM 425 O GLY A 34 -12.142 -4.794 3.038 1.00 0.00 O ATOM 0 H GLY A 34 -13.431 -3.575 -0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.490 -3.692 0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.272 -2.793 1.541 1.00 0.00 H new ATOM 429 N GLU A 35 -12.395 -6.093 1.217 1.00 0.00 N ATOM 430 CA GLU A 35 -12.353 -7.342 1.968 1.00 0.00 C ATOM 431 C GLU A 35 -10.922 -7.860 2.082 1.00 0.00 C ATOM 432 O GLU A 35 -10.531 -8.419 3.107 1.00 0.00 O ATOM 433 CB GLU A 35 -13.237 -8.396 1.298 1.00 0.00 C ATOM 434 CG GLU A 35 -12.803 -8.744 -0.116 1.00 0.00 C ATOM 435 CD GLU A 35 -13.693 -9.791 -0.758 1.00 0.00 C ATOM 436 OE1 GLU A 35 -14.832 -9.975 -0.281 1.00 0.00 O ATOM 437 OE2 GLU A 35 -13.249 -10.425 -1.738 1.00 0.00 O ATOM 0 H GLU A 35 -12.513 -6.209 0.210 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.731 -7.146 2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.231 -9.302 1.904 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.265 -8.035 1.275 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.811 -7.841 -0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.776 -9.107 -0.098 1.00 0.00 H new ATOM 444 N THR A 36 -10.145 -7.671 1.020 1.00 0.00 N ATOM 445 CA THR A 36 -8.758 -8.120 0.999 1.00 0.00 C ATOM 446 C THR A 36 -7.828 -7.060 1.576 1.00 0.00 C ATOM 447 O THR A 36 -7.254 -7.243 2.650 1.00 0.00 O ATOM 448 CB THR A 36 -8.301 -8.465 -0.431 1.00 0.00 C ATOM 449 OG1 THR A 36 -9.213 -9.395 -1.026 1.00 0.00 O ATOM 450 CG2 THR A 36 -6.899 -9.055 -0.424 1.00 0.00 C ATOM 0 H THR A 36 -10.452 -7.210 0.163 1.00 0.00 H new ATOM 0 HA THR A 36 -8.707 -9.018 1.615 1.00 0.00 H new ATOM 0 HB THR A 36 -8.288 -7.545 -1.016 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.916 -9.608 -1.935 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.598 -9.291 -1.445 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.202 -8.333 0.002 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.890 -9.965 0.176 1.00 0.00 H new ATOM 458 N ILE A 37 -7.683 -5.952 0.857 1.00 0.00 N ATOM 459 CA ILE A 37 -6.823 -4.861 1.300 1.00 0.00 C ATOM 460 C ILE A 37 -6.973 -4.617 2.798 1.00 0.00 C ATOM 461 O ILE A 37 -5.987 -4.405 3.505 1.00 0.00 O ATOM 462 CB ILE A 37 -7.136 -3.556 0.545 1.00 0.00 C ATOM 463 CG1 ILE A 37 -6.264 -2.414 1.074 1.00 0.00 C ATOM 464 CG2 ILE A 37 -8.611 -3.208 0.676 1.00 0.00 C ATOM 465 CD1 ILE A 37 -6.459 -1.112 0.330 1.00 0.00 C ATOM 0 H ILE A 37 -8.150 -5.786 -0.035 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.797 -5.159 1.084 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.910 -3.702 -0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.486 -2.257 2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.216 -2.707 1.009 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.816 -2.283 0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.214 -4.014 0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.862 -3.078 1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.810 -0.348 0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.209 -1.253 -0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.498 -0.796 0.417 1.00 0.00 H new ATOM 477 N LYS A 38 -8.212 -4.650 3.277 1.00 0.00 N ATOM 478 CA LYS A 38 -8.492 -4.435 4.691 1.00 0.00 C ATOM 479 C LYS A 38 -7.634 -5.349 5.561 1.00 0.00 C ATOM 480 O LYS A 38 -7.097 -4.922 6.582 1.00 0.00 O ATOM 481 CB LYS A 38 -9.974 -4.682 4.982 1.00 0.00 C ATOM 482 CG LYS A 38 -10.357 -4.447 6.433 1.00 0.00 C ATOM 483 CD LYS A 38 -11.843 -4.667 6.660 1.00 0.00 C ATOM 484 CE LYS A 38 -12.321 -3.976 7.928 1.00 0.00 C ATOM 485 NZ LYS A 38 -13.790 -3.734 7.908 1.00 0.00 N ATOM 0 H LYS A 38 -9.039 -4.824 2.706 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.248 -3.400 4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.574 -4.030 4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.223 -5.708 4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.787 -5.119 7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.091 -3.430 6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.403 -4.288 5.805 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.048 -5.735 6.727 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.066 -4.588 8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.798 -3.027 8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.076 -3.262 8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.031 -3.129 7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.290 -4.642 7.824 1.00 0.00 H new ATOM 499 N GLN A 39 -7.509 -6.606 5.147 1.00 0.00 N ATOM 500 CA GLN A 39 -6.715 -7.578 5.888 1.00 0.00 C ATOM 501 C GLN A 39 -5.224 -7.304 5.722 1.00 0.00 C ATOM 502 O GLN A 39 -4.424 -7.606 6.608 1.00 0.00 O ATOM 503 CB GLN A 39 -7.040 -8.997 5.419 1.00 0.00 C ATOM 504 CG GLN A 39 -8.299 -9.572 6.048 1.00 0.00 C ATOM 505 CD GLN A 39 -8.112 -9.929 7.509 1.00 0.00 C ATOM 506 OE1 GLN A 39 -8.196 -9.069 8.386 1.00 0.00 O ATOM 507 NE2 GLN A 39 -7.855 -11.204 7.779 1.00 0.00 N ATOM 0 H GLN A 39 -7.947 -6.975 4.303 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.967 -7.485 6.944 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.154 -8.995 4.335 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.198 -9.649 5.650 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.109 -8.849 5.956 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.602 -10.462 5.497 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.794 -11.884 7.021 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.719 -11.503 8.744 1.00 0.00 H new ATOM 516 N LEU A 40 -4.857 -6.731 4.581 1.00 0.00 N ATOM 517 CA LEU A 40 -3.461 -6.416 4.298 1.00 0.00 C ATOM 518 C LEU A 40 -2.935 -5.357 5.262 1.00 0.00 C ATOM 519 O LEU A 40 -1.726 -5.155 5.376 1.00 0.00 O ATOM 520 CB LEU A 40 -3.310 -5.928 2.856 1.00 0.00 C ATOM 521 CG LEU A 40 -3.342 -7.010 1.775 1.00 0.00 C ATOM 522 CD1 LEU A 40 -3.432 -6.381 0.393 1.00 0.00 C ATOM 523 CD2 LEU A 40 -2.114 -7.902 1.877 1.00 0.00 C ATOM 0 H LEU A 40 -5.506 -6.475 3.837 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.875 -7.326 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.107 -5.213 2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.367 -5.387 2.773 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.228 -7.626 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.454 -7.166 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.342 -5.785 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.565 -5.741 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.154 -8.666 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.215 -7.299 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.092 -8.381 2.856 1.00 0.00 H new ATOM 535 N GLN A 41 -3.850 -4.688 5.954 1.00 0.00 N ATOM 536 CA GLN A 41 -3.478 -3.651 6.910 1.00 0.00 C ATOM 537 C GLN A 41 -2.974 -4.267 8.211 1.00 0.00 C ATOM 538 O GLN A 41 -2.213 -3.642 8.949 1.00 0.00 O ATOM 539 CB GLN A 41 -4.671 -2.737 7.193 1.00 0.00 C ATOM 540 CG GLN A 41 -5.099 -1.906 5.994 1.00 0.00 C ATOM 541 CD GLN A 41 -6.276 -1.002 6.300 1.00 0.00 C ATOM 542 OE1 GLN A 41 -6.347 -0.397 7.371 1.00 0.00 O ATOM 543 NE2 GLN A 41 -7.209 -0.904 5.360 1.00 0.00 N ATOM 0 H GLN A 41 -4.854 -4.845 5.871 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.673 -3.060 6.473 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.514 -3.345 7.523 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.419 -2.069 8.016 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.258 -1.300 5.658 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.361 -2.571 5.171 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.110 -1.423 4.487 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.024 -0.310 5.511 1.00 0.00 H new ATOM 552 N GLU A 42 -3.403 -5.494 8.485 1.00 0.00 N ATOM 553 CA GLU A 42 -2.996 -6.193 9.698 1.00 0.00 C ATOM 554 C GLU A 42 -1.684 -6.942 9.480 1.00 0.00 C ATOM 555 O GLU A 42 -0.846 -7.022 10.378 1.00 0.00 O ATOM 556 CB GLU A 42 -4.086 -7.170 10.142 1.00 0.00 C ATOM 557 CG GLU A 42 -5.414 -6.500 10.452 1.00 0.00 C ATOM 558 CD GLU A 42 -5.449 -5.889 11.840 1.00 0.00 C ATOM 559 OE1 GLU A 42 -5.074 -6.588 12.805 1.00 0.00 O ATOM 560 OE2 GLU A 42 -5.852 -4.714 11.961 1.00 0.00 O ATOM 0 H GLU A 42 -4.033 -6.025 7.883 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.845 -5.450 10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.237 -7.913 9.359 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.743 -7.706 11.027 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.606 -5.723 9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.216 -7.232 10.361 1.00 0.00 H new ATOM 567 N ARG A 43 -1.515 -7.490 8.281 1.00 0.00 N ATOM 568 CA ARG A 43 -0.308 -8.235 7.945 1.00 0.00 C ATOM 569 C ARG A 43 0.928 -7.346 8.057 1.00 0.00 C ATOM 570 O ARG A 43 2.008 -7.811 8.419 1.00 0.00 O ATOM 571 CB ARG A 43 -0.412 -8.805 6.529 1.00 0.00 C ATOM 572 CG ARG A 43 -1.090 -10.164 6.469 1.00 0.00 C ATOM 573 CD ARG A 43 -1.478 -10.529 5.045 1.00 0.00 C ATOM 574 NE ARG A 43 -2.647 -11.404 5.003 1.00 0.00 N ATOM 575 CZ ARG A 43 -3.317 -11.684 3.891 1.00 0.00 C ATOM 576 NH1 ARG A 43 -2.934 -11.162 2.734 1.00 0.00 N ATOM 577 NH2 ARG A 43 -4.371 -12.488 3.934 1.00 0.00 N ATOM 0 H ARG A 43 -2.199 -7.432 7.526 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.209 -9.057 8.654 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.965 -8.104 5.904 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.589 -8.888 6.105 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.420 -10.924 6.871 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.979 -10.157 7.099 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.686 -9.619 4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.638 -11.022 4.556 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.966 -11.823 5.876 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.123 -10.544 2.697 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.450 -11.378 1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.668 -12.892 4.822 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.884 -12.702 3.079 1.00 0.00 H new ATOM 591 N ALA A 44 0.760 -6.065 7.744 1.00 0.00 N ATOM 592 CA ALA A 44 1.860 -5.112 7.812 1.00 0.00 C ATOM 593 C ALA A 44 1.683 -4.150 8.982 1.00 0.00 C ATOM 594 O ALA A 44 2.642 -3.534 9.442 1.00 0.00 O ATOM 595 CB ALA A 44 1.971 -4.341 6.504 1.00 0.00 C ATOM 0 H ALA A 44 -0.128 -5.664 7.441 1.00 0.00 H new ATOM 0 HA ALA A 44 2.782 -5.670 7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.797 -3.632 6.568 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.153 -5.037 5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.042 -3.800 6.320 1.00 0.00 H new ATOM 601 N GLY A 45 0.447 -4.026 9.458 1.00 0.00 N ATOM 602 CA GLY A 45 0.167 -3.137 10.570 1.00 0.00 C ATOM 603 C GLY A 45 0.040 -1.690 10.137 1.00 0.00 C ATOM 604 O GLY A 45 0.224 -0.775 10.940 1.00 0.00 O ATOM 0 H GLY A 45 -0.364 -4.525 9.093 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.756 -3.450 11.058 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.963 -3.223 11.310 1.00 0.00 H new ATOM 608 N VAL A 46 -0.275 -1.480 8.863 1.00 0.00 N ATOM 609 CA VAL A 46 -0.425 -0.134 8.324 1.00 0.00 C ATOM 610 C VAL A 46 -1.782 0.041 7.651 1.00 0.00 C ATOM 611 O VAL A 46 -2.445 -0.937 7.302 1.00 0.00 O ATOM 612 CB VAL A 46 0.685 0.191 7.307 1.00 0.00 C ATOM 613 CG1 VAL A 46 2.050 0.155 7.977 1.00 0.00 C ATOM 614 CG2 VAL A 46 0.632 -0.775 6.133 1.00 0.00 C ATOM 0 H VAL A 46 -0.431 -2.225 8.185 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.349 0.554 9.166 1.00 0.00 H new ATOM 0 HB VAL A 46 0.521 1.199 6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.822 0.387 7.243 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.080 0.891 8.781 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.227 -0.839 8.388 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.423 -0.530 5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.770 -1.794 6.494 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.336 -0.694 5.638 1.00 0.00 H new ATOM 624 N LYS A 47 -2.191 1.292 7.472 1.00 0.00 N ATOM 625 CA LYS A 47 -3.469 1.597 6.839 1.00 0.00 C ATOM 626 C LYS A 47 -3.307 1.743 5.329 1.00 0.00 C ATOM 627 O LYS A 47 -2.446 2.485 4.857 1.00 0.00 O ATOM 628 CB LYS A 47 -4.059 2.881 7.426 1.00 0.00 C ATOM 629 CG LYS A 47 -5.577 2.909 7.425 1.00 0.00 C ATOM 630 CD LYS A 47 -6.112 4.215 7.987 1.00 0.00 C ATOM 631 CE LYS A 47 -7.606 4.359 7.740 1.00 0.00 C ATOM 632 NZ LYS A 47 -8.394 3.355 8.508 1.00 0.00 N ATOM 0 H LYS A 47 -1.656 2.112 7.757 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.150 0.769 7.035 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.703 3.000 8.449 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.688 3.734 6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.943 2.773 6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.957 2.075 8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.913 4.260 9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.584 5.052 7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.925 5.363 8.020 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.811 4.245 6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.407 3.486 8.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.107 2.397 8.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.218 3.480 9.525 1.00 0.00 H new ATOM 646 N MET A 48 -4.142 1.033 4.578 1.00 0.00 N ATOM 647 CA MET A 48 -4.092 1.087 3.121 1.00 0.00 C ATOM 648 C MET A 48 -5.337 1.767 2.560 1.00 0.00 C ATOM 649 O MET A 48 -6.460 1.324 2.800 1.00 0.00 O ATOM 650 CB MET A 48 -3.962 -0.323 2.541 1.00 0.00 C ATOM 651 CG MET A 48 -2.549 -0.878 2.605 1.00 0.00 C ATOM 652 SD MET A 48 -2.454 -2.600 2.080 1.00 0.00 S ATOM 653 CE MET A 48 -0.960 -3.128 2.916 1.00 0.00 C ATOM 0 H MET A 48 -4.861 0.414 4.953 1.00 0.00 H new ATOM 0 HA MET A 48 -3.218 1.672 2.833 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.631 -0.992 3.081 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.293 -0.312 1.502 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.897 -0.274 1.975 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.175 -0.792 3.625 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.669 -4.113 2.553 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.160 -2.416 2.715 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.142 -3.176 3.990 1.00 0.00 H new ATOM 663 N VAL A 49 -5.130 2.846 1.811 1.00 0.00 N ATOM 664 CA VAL A 49 -6.235 3.587 1.215 1.00 0.00 C ATOM 665 C VAL A 49 -5.912 3.998 -0.217 1.00 0.00 C ATOM 666 O VAL A 49 -4.962 4.740 -0.461 1.00 0.00 O ATOM 667 CB VAL A 49 -6.573 4.846 2.035 1.00 0.00 C ATOM 668 CG1 VAL A 49 -7.586 5.708 1.297 1.00 0.00 C ATOM 669 CG2 VAL A 49 -7.092 4.462 3.412 1.00 0.00 C ATOM 0 H VAL A 49 -4.207 3.226 1.603 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.098 2.921 1.213 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.661 5.429 2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.813 6.593 1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.173 6.013 0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.500 5.137 1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.326 5.364 3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.992 3.857 3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.330 3.889 3.941 1.00 0.00 H new ATOM 679 N MET A 50 -6.710 3.509 -1.161 1.00 0.00 N ATOM 680 CA MET A 50 -6.510 3.828 -2.570 1.00 0.00 C ATOM 681 C MET A 50 -6.973 5.248 -2.878 1.00 0.00 C ATOM 682 O MET A 50 -8.068 5.652 -2.485 1.00 0.00 O ATOM 683 CB MET A 50 -7.264 2.831 -3.452 1.00 0.00 C ATOM 684 CG MET A 50 -6.441 1.610 -3.830 1.00 0.00 C ATOM 685 SD MET A 50 -6.352 0.393 -2.502 1.00 0.00 S ATOM 686 CE MET A 50 -5.517 -0.955 -3.334 1.00 0.00 C ATOM 0 H MET A 50 -7.500 2.891 -0.976 1.00 0.00 H new ATOM 0 HA MET A 50 -5.444 3.759 -2.784 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.164 2.505 -2.930 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.588 3.336 -4.362 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.874 1.145 -4.715 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.432 1.925 -4.097 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.725 -1.889 -2.812 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.874 -1.026 -4.361 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.442 -0.772 -3.335 1.00 0.00 H new ATOM 696 N ILE A 51 -6.134 6.000 -3.581 1.00 0.00 N ATOM 697 CA ILE A 51 -6.458 7.375 -3.941 1.00 0.00 C ATOM 698 C ILE A 51 -6.986 7.459 -5.369 1.00 0.00 C ATOM 699 O ILE A 51 -6.576 6.689 -6.238 1.00 0.00 O ATOM 700 CB ILE A 51 -5.233 8.297 -3.803 1.00 0.00 C ATOM 701 CG1 ILE A 51 -4.526 8.046 -2.469 1.00 0.00 C ATOM 702 CG2 ILE A 51 -5.652 9.755 -3.921 1.00 0.00 C ATOM 703 CD1 ILE A 51 -5.341 8.464 -1.266 1.00 0.00 C ATOM 0 H ILE A 51 -5.224 5.680 -3.913 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.232 7.708 -3.250 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.535 8.073 -4.610 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.289 6.985 -2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.579 8.586 -2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.775 10.395 -3.821 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.115 9.923 -4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.366 9.993 -3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.778 8.257 -0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.556 9.531 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.277 7.906 -1.249 1.00 0.00 H new ATOM 715 N GLN A 52 -7.895 8.399 -5.604 1.00 0.00 N ATOM 716 CA GLN A 52 -8.477 8.584 -6.928 1.00 0.00 C ATOM 717 C GLN A 52 -8.361 10.038 -7.376 1.00 0.00 C ATOM 718 O GLN A 52 -9.266 10.841 -7.151 1.00 0.00 O ATOM 719 CB GLN A 52 -9.945 8.154 -6.928 1.00 0.00 C ATOM 720 CG GLN A 52 -10.543 8.029 -8.320 1.00 0.00 C ATOM 721 CD GLN A 52 -11.983 7.555 -8.296 1.00 0.00 C ATOM 722 OE1 GLN A 52 -12.876 8.267 -7.837 1.00 0.00 O ATOM 723 NE2 GLN A 52 -12.216 6.346 -8.793 1.00 0.00 N ATOM 0 H GLN A 52 -8.244 9.044 -4.895 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.923 7.961 -7.630 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.034 7.196 -6.416 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -10.527 8.877 -6.355 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.491 8.995 -8.822 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.945 7.332 -8.907 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.445 5.790 -9.163 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -13.166 5.974 -8.804 1.00 0.00 H new ATOM 732 N ASP A 53 -7.241 10.369 -8.010 1.00 0.00 N ATOM 733 CA ASP A 53 -7.007 11.726 -8.489 1.00 0.00 C ATOM 734 C ASP A 53 -8.091 12.148 -9.476 1.00 0.00 C ATOM 735 O ASP A 53 -8.930 11.342 -9.875 1.00 0.00 O ATOM 736 CB ASP A 53 -5.631 11.825 -9.151 1.00 0.00 C ATOM 737 CG ASP A 53 -5.209 13.260 -9.395 1.00 0.00 C ATOM 738 OD1 ASP A 53 -5.602 14.139 -8.599 1.00 0.00 O ATOM 739 OD2 ASP A 53 -4.484 13.505 -10.382 1.00 0.00 O ATOM 0 H ASP A 53 -6.482 9.716 -8.204 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.039 12.399 -7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.891 11.334 -8.519 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.648 11.288 -10.099 1.00 0.00 H new ATOM 744 N GLY A 54 -8.068 13.420 -9.865 1.00 0.00 N ATOM 745 CA GLY A 54 -9.054 13.928 -10.800 1.00 0.00 C ATOM 746 C GLY A 54 -8.911 13.319 -12.181 1.00 0.00 C ATOM 747 O GLY A 54 -9.795 12.612 -12.666 1.00 0.00 O ATOM 0 H GLY A 54 -7.384 14.107 -9.549 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.053 13.722 -10.417 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.958 15.011 -10.872 1.00 0.00 H new ATOM 751 N PRO A 55 -7.775 13.595 -12.838 1.00 0.00 N ATOM 752 CA PRO A 55 -7.494 13.080 -14.182 1.00 0.00 C ATOM 753 C PRO A 55 -7.246 11.575 -14.186 1.00 0.00 C ATOM 754 O PRO A 55 -6.100 11.126 -14.216 1.00 0.00 O ATOM 755 CB PRO A 55 -6.225 13.832 -14.591 1.00 0.00 C ATOM 756 CG PRO A 55 -5.566 14.191 -13.304 1.00 0.00 C ATOM 757 CD PRO A 55 -6.678 14.430 -12.321 1.00 0.00 C ATOM 0 HA PRO A 55 -8.333 13.231 -14.861 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.577 13.209 -15.207 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.463 14.721 -15.176 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.911 13.389 -12.964 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.948 15.081 -13.417 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.391 14.137 -11.311 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.959 15.482 -12.280 1.00 0.00 H new ATOM 765 N GLN A 56 -8.327 10.802 -14.155 1.00 0.00 N ATOM 766 CA GLN A 56 -8.225 9.348 -14.155 1.00 0.00 C ATOM 767 C GLN A 56 -8.113 8.810 -15.578 1.00 0.00 C ATOM 768 O GLN A 56 -7.310 7.920 -15.854 1.00 0.00 O ATOM 769 CB GLN A 56 -9.438 8.731 -13.458 1.00 0.00 C ATOM 770 CG GLN A 56 -9.593 9.164 -12.009 1.00 0.00 C ATOM 771 CD GLN A 56 -8.405 8.771 -11.152 1.00 0.00 C ATOM 772 OE1 GLN A 56 -7.441 9.526 -11.023 1.00 0.00 O ATOM 773 NE2 GLN A 56 -8.468 7.584 -10.561 1.00 0.00 N ATOM 0 H GLN A 56 -9.282 11.158 -14.130 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.322 9.072 -13.610 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.339 9.002 -14.008 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.355 7.645 -13.497 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.723 10.245 -11.969 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -10.498 8.718 -11.595 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.286 6.990 -10.695 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.698 7.266 -9.973 1.00 0.00 H new ATOM 782 N ASN A 57 -8.926 9.355 -16.477 1.00 0.00 N ATOM 783 CA ASN A 57 -8.919 8.929 -17.872 1.00 0.00 C ATOM 784 C ASN A 57 -7.507 8.565 -18.322 1.00 0.00 C ATOM 785 O ASN A 57 -7.231 7.418 -18.674 1.00 0.00 O ATOM 786 CB ASN A 57 -9.483 10.034 -18.767 1.00 0.00 C ATOM 787 CG ASN A 57 -9.307 9.729 -20.242 1.00 0.00 C ATOM 788 OD1 ASN A 57 -8.354 10.186 -20.873 1.00 0.00 O ATOM 789 ND2 ASN A 57 -10.229 8.953 -20.800 1.00 0.00 N ATOM 0 H ASN A 57 -9.598 10.092 -16.265 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.549 8.044 -17.959 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.543 10.168 -18.550 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.988 10.976 -18.532 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -10.164 8.714 -21.789 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.003 8.596 -20.239 1.00 0.00 H new ATOM 796 N THR A 58 -6.615 9.551 -18.309 1.00 0.00 N ATOM 797 CA THR A 58 -5.232 9.336 -18.716 1.00 0.00 C ATOM 798 C THR A 58 -4.733 7.968 -18.265 1.00 0.00 C ATOM 799 O THR A 58 -4.669 7.683 -17.070 1.00 0.00 O ATOM 800 CB THR A 58 -4.302 10.423 -18.145 1.00 0.00 C ATOM 801 OG1 THR A 58 -2.939 9.995 -18.228 1.00 0.00 O ATOM 802 CG2 THR A 58 -4.655 10.731 -16.697 1.00 0.00 C ATOM 0 H THR A 58 -6.826 10.506 -18.021 1.00 0.00 H new ATOM 0 HA THR A 58 -5.212 9.387 -19.805 1.00 0.00 H new ATOM 0 HB THR A 58 -4.434 11.330 -18.736 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.354 10.692 -17.864 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.985 11.501 -16.315 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.684 11.085 -16.641 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.549 9.828 -16.097 1.00 0.00 H new ATOM 810 N GLY A 59 -4.378 7.124 -19.229 1.00 0.00 N ATOM 811 CA GLY A 59 -3.887 5.796 -18.910 1.00 0.00 C ATOM 812 C GLY A 59 -4.791 5.063 -17.939 1.00 0.00 C ATOM 813 O GLY A 59 -5.915 5.492 -17.681 1.00 0.00 O ATOM 0 H GLY A 59 -4.422 7.336 -20.226 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.797 5.215 -19.828 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.887 5.874 -18.483 1.00 0.00 H new ATOM 817 N ALA A 60 -4.299 3.952 -17.400 1.00 0.00 N ATOM 818 CA ALA A 60 -5.070 3.157 -16.451 1.00 0.00 C ATOM 819 C ALA A 60 -4.231 2.795 -15.230 1.00 0.00 C ATOM 820 O ALA A 60 -3.494 1.809 -15.243 1.00 0.00 O ATOM 821 CB ALA A 60 -5.598 1.899 -17.124 1.00 0.00 C ATOM 0 H ALA A 60 -3.371 3.582 -17.604 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.915 3.757 -16.113 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.172 1.315 -16.404 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.240 2.176 -17.960 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.761 1.304 -17.490 1.00 0.00 H new ATOM 827 N ASP A 61 -4.349 3.597 -14.178 1.00 0.00 N ATOM 828 CA ASP A 61 -3.602 3.360 -12.949 1.00 0.00 C ATOM 829 C ASP A 61 -4.146 4.216 -11.809 1.00 0.00 C ATOM 830 O ASP A 61 -4.687 5.299 -12.034 1.00 0.00 O ATOM 831 CB ASP A 61 -2.118 3.659 -13.163 1.00 0.00 C ATOM 832 CG ASP A 61 -1.837 5.144 -13.279 1.00 0.00 C ATOM 833 OD1 ASP A 61 -2.048 5.867 -12.284 1.00 0.00 O ATOM 834 OD2 ASP A 61 -1.406 5.584 -14.367 1.00 0.00 O ATOM 0 H ASP A 61 -4.955 4.417 -14.152 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.718 2.310 -12.679 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.544 3.247 -12.333 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.776 3.156 -14.067 1.00 0.00 H new ATOM 839 N LYS A 62 -4.001 3.722 -10.584 1.00 0.00 N ATOM 840 CA LYS A 62 -4.477 4.440 -9.407 1.00 0.00 C ATOM 841 C LYS A 62 -3.423 4.436 -8.304 1.00 0.00 C ATOM 842 O LYS A 62 -2.937 3.388 -7.881 1.00 0.00 O ATOM 843 CB LYS A 62 -5.773 3.812 -8.891 1.00 0.00 C ATOM 844 CG LYS A 62 -6.716 3.369 -9.996 1.00 0.00 C ATOM 845 CD LYS A 62 -7.645 4.494 -10.422 1.00 0.00 C ATOM 846 CE LYS A 62 -8.913 3.957 -11.066 1.00 0.00 C ATOM 847 NZ LYS A 62 -9.893 3.482 -10.050 1.00 0.00 N ATOM 0 H LYS A 62 -3.557 2.826 -10.380 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.671 5.473 -9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.527 2.952 -8.268 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.287 4.531 -8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.137 3.029 -10.855 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.306 2.519 -9.653 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.905 5.100 -9.554 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.128 5.148 -11.124 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.370 4.738 -11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.660 3.137 -11.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.744 3.124 -10.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.466 2.720 -9.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.154 4.271 -9.425 1.00 0.00 H new ATOM 861 N PRO A 63 -3.063 5.636 -7.825 1.00 0.00 N ATOM 862 CA PRO A 63 -2.065 5.797 -6.763 1.00 0.00 C ATOM 863 C PRO A 63 -2.570 5.300 -5.413 1.00 0.00 C ATOM 864 O PRO A 63 -3.562 5.806 -4.885 1.00 0.00 O ATOM 865 CB PRO A 63 -1.831 7.309 -6.723 1.00 0.00 C ATOM 866 CG PRO A 63 -3.088 7.902 -7.258 1.00 0.00 C ATOM 867 CD PRO A 63 -3.602 6.928 -8.282 1.00 0.00 C ATOM 0 HA PRO A 63 -1.163 5.217 -6.960 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.633 7.652 -5.708 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.970 7.592 -7.329 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.818 8.053 -6.462 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.899 8.877 -7.707 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.691 6.919 -8.317 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.253 7.177 -9.284 1.00 0.00 H new ATOM 875 N LEU A 64 -1.883 4.308 -4.858 1.00 0.00 N ATOM 876 CA LEU A 64 -2.262 3.742 -3.568 1.00 0.00 C ATOM 877 C LEU A 64 -1.439 4.358 -2.441 1.00 0.00 C ATOM 878 O LEU A 64 -0.209 4.346 -2.479 1.00 0.00 O ATOM 879 CB LEU A 64 -2.076 2.224 -3.580 1.00 0.00 C ATOM 880 CG LEU A 64 -1.771 1.575 -2.229 1.00 0.00 C ATOM 881 CD1 LEU A 64 -2.964 1.699 -1.295 1.00 0.00 C ATOM 882 CD2 LEU A 64 -1.387 0.114 -2.415 1.00 0.00 C ATOM 0 H LEU A 64 -1.060 3.879 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.313 3.971 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.982 1.770 -3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.266 1.983 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.928 2.098 -1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.728 1.231 -0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.194 2.753 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.827 1.202 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.173 -0.332 -1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.211 -0.421 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.502 0.048 -3.047 1.00 0.00 H new ATOM 894 N ARG A 65 -2.127 4.894 -1.438 1.00 0.00 N ATOM 895 CA ARG A 65 -1.459 5.514 -0.299 1.00 0.00 C ATOM 896 C ARG A 65 -1.410 4.557 0.889 1.00 0.00 C ATOM 897 O ARG A 65 -2.431 3.997 1.289 1.00 0.00 O ATOM 898 CB ARG A 65 -2.178 6.804 0.101 1.00 0.00 C ATOM 899 CG ARG A 65 -1.306 7.768 0.887 1.00 0.00 C ATOM 900 CD ARG A 65 -2.096 8.983 1.350 1.00 0.00 C ATOM 901 NE ARG A 65 -1.262 9.930 2.085 1.00 0.00 N ATOM 902 CZ ARG A 65 -0.385 10.742 1.505 1.00 0.00 C ATOM 903 NH1 ARG A 65 -0.229 10.722 0.188 1.00 0.00 N ATOM 904 NH2 ARG A 65 0.337 11.576 2.241 1.00 0.00 N ATOM 0 H ARG A 65 -3.146 4.912 -1.391 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.437 5.752 -0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.538 7.303 -0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.055 6.551 0.697 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.884 7.256 1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.469 8.091 0.268 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.535 9.481 0.485 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.921 8.659 1.984 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.358 9.970 3.100 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.783 10.082 -0.382 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.445 11.346 -0.255 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.219 11.595 3.254 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.010 12.199 1.794 1.00 0.00 H new ATOM 918 N ILE A 66 -0.218 4.375 1.447 1.00 0.00 N ATOM 919 CA ILE A 66 -0.037 3.487 2.588 1.00 0.00 C ATOM 920 C ILE A 66 0.552 4.236 3.779 1.00 0.00 C ATOM 921 O ILE A 66 1.736 4.577 3.789 1.00 0.00 O ATOM 922 CB ILE A 66 0.880 2.300 2.238 1.00 0.00 C ATOM 923 CG1 ILE A 66 0.299 1.508 1.065 1.00 0.00 C ATOM 924 CG2 ILE A 66 1.067 1.401 3.450 1.00 0.00 C ATOM 925 CD1 ILE A 66 1.028 0.211 0.792 1.00 0.00 C ATOM 0 H ILE A 66 0.637 4.831 1.127 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.024 3.107 2.852 1.00 0.00 H new ATOM 0 HB ILE A 66 1.855 2.687 1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.750 1.290 1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.328 2.128 0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.717 0.567 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.519 1.972 4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.098 1.019 3.772 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.562 -0.298 -0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.071 0.422 0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.977 -0.428 1.674 1.00 0.00 H new ATOM 937 N THR A 67 -0.281 4.489 4.783 1.00 0.00 N ATOM 938 CA THR A 67 0.156 5.196 5.980 1.00 0.00 C ATOM 939 C THR A 67 0.375 4.232 7.140 1.00 0.00 C ATOM 940 O THR A 67 -0.319 3.224 7.262 1.00 0.00 O ATOM 941 CB THR A 67 -0.866 6.268 6.404 1.00 0.00 C ATOM 942 OG1 THR A 67 -2.186 5.863 6.025 1.00 0.00 O ATOM 943 CG2 THR A 67 -0.539 7.610 5.767 1.00 0.00 C ATOM 0 H THR A 67 -1.263 4.214 4.791 1.00 0.00 H new ATOM 0 HA THR A 67 1.100 5.682 5.732 1.00 0.00 H new ATOM 0 HB THR A 67 -0.817 6.377 7.487 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.830 6.549 6.299 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.274 8.351 6.081 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.455 7.929 6.081 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.563 7.513 4.682 1.00 0.00 H new ATOM 951 N GLY A 68 1.346 4.548 7.991 1.00 0.00 N ATOM 952 CA GLY A 68 1.639 3.699 9.131 1.00 0.00 C ATOM 953 C GLY A 68 2.996 3.993 9.740 1.00 0.00 C ATOM 954 O GLY A 68 3.219 5.074 10.284 1.00 0.00 O ATOM 0 H GLY A 68 1.935 5.377 7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.867 3.834 9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.602 2.655 8.821 1.00 0.00 H new ATOM 958 N ASP A 69 3.904 3.028 9.649 1.00 0.00 N ATOM 959 CA ASP A 69 5.247 3.187 10.195 1.00 0.00 C ATOM 960 C ASP A 69 6.283 3.259 9.078 1.00 0.00 C ATOM 961 O ASP A 69 6.067 2.780 7.965 1.00 0.00 O ATOM 962 CB ASP A 69 5.577 2.031 11.140 1.00 0.00 C ATOM 963 CG ASP A 69 5.213 2.337 12.579 1.00 0.00 C ATOM 964 OD1 ASP A 69 5.817 3.264 13.159 1.00 0.00 O ATOM 965 OD2 ASP A 69 4.325 1.650 13.126 1.00 0.00 O ATOM 0 H ASP A 69 3.735 2.127 9.202 1.00 0.00 H new ATOM 0 HA ASP A 69 5.276 4.122 10.754 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.044 1.137 10.816 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.642 1.807 11.077 1.00 0.00 H new ATOM 970 N PRO A 70 7.437 3.874 9.379 1.00 0.00 N ATOM 971 CA PRO A 70 8.530 4.024 8.413 1.00 0.00 C ATOM 972 C PRO A 70 9.207 2.696 8.094 1.00 0.00 C ATOM 973 O PRO A 70 9.755 2.513 7.006 1.00 0.00 O ATOM 974 CB PRO A 70 9.505 4.964 9.125 1.00 0.00 C ATOM 975 CG PRO A 70 9.234 4.764 10.576 1.00 0.00 C ATOM 976 CD PRO A 70 7.764 4.469 10.686 1.00 0.00 C ATOM 0 HA PRO A 70 8.177 4.401 7.453 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.539 4.722 8.879 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.341 6.001 8.831 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.828 3.941 10.974 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.497 5.653 11.148 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.552 3.781 11.505 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.185 5.374 10.872 1.00 0.00 H new ATOM 984 N TYR A 71 9.166 1.771 9.047 1.00 0.00 N ATOM 985 CA TYR A 71 9.778 0.460 8.867 1.00 0.00 C ATOM 986 C TYR A 71 8.760 -0.548 8.342 1.00 0.00 C ATOM 987 O TYR A 71 9.123 -1.563 7.747 1.00 0.00 O ATOM 988 CB TYR A 71 10.369 -0.035 10.187 1.00 0.00 C ATOM 989 CG TYR A 71 10.968 -1.421 10.100 1.00 0.00 C ATOM 990 CD1 TYR A 71 10.164 -2.552 10.167 1.00 0.00 C ATOM 991 CD2 TYR A 71 12.338 -1.599 9.950 1.00 0.00 C ATOM 992 CE1 TYR A 71 10.706 -3.820 10.089 1.00 0.00 C ATOM 993 CE2 TYR A 71 12.889 -2.864 9.870 1.00 0.00 C ATOM 994 CZ TYR A 71 12.069 -3.971 9.940 1.00 0.00 C ATOM 995 OH TYR A 71 12.614 -5.232 9.861 1.00 0.00 O ATOM 0 H TYR A 71 8.715 1.905 9.952 1.00 0.00 H new ATOM 0 HA TYR A 71 10.578 0.557 8.133 1.00 0.00 H new ATOM 0 HB2 TYR A 71 11.138 0.664 10.516 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.589 -0.032 10.948 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.096 -2.438 10.282 1.00 0.00 H new ATOM 0 HD2 TYR A 71 12.983 -0.734 9.895 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.066 -4.688 10.144 1.00 0.00 H new ATOM 0 HE2 TYR A 71 13.956 -2.985 9.753 1.00 0.00 H new ATOM 0 HH TYR A 71 13.586 -5.162 9.757 1.00 0.00 H new ATOM 1005 N LYS A 72 7.483 -0.261 8.567 1.00 0.00 N ATOM 1006 CA LYS A 72 6.410 -1.140 8.117 1.00 0.00 C ATOM 1007 C LYS A 72 5.874 -0.693 6.760 1.00 0.00 C ATOM 1008 O LYS A 72 5.847 -1.470 5.806 1.00 0.00 O ATOM 1009 CB LYS A 72 5.275 -1.161 9.143 1.00 0.00 C ATOM 1010 CG LYS A 72 5.752 -1.341 10.574 1.00 0.00 C ATOM 1011 CD LYS A 72 4.592 -1.602 11.520 1.00 0.00 C ATOM 1012 CE LYS A 72 4.293 -3.088 11.640 1.00 0.00 C ATOM 1013 NZ LYS A 72 5.083 -3.727 12.729 1.00 0.00 N ATOM 0 H LYS A 72 7.165 0.574 9.059 1.00 0.00 H new ATOM 0 HA LYS A 72 6.817 -2.146 8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.714 -0.230 9.070 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.586 -1.968 8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.456 -2.172 10.622 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.290 -0.449 10.894 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.826 -1.196 12.504 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.705 -1.079 11.162 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.229 -3.230 11.832 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.515 -3.581 10.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.851 -4.739 12.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.098 -3.614 12.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.853 -3.274 13.637 1.00 0.00 H new ATOM 1027 N VAL A 73 5.449 0.564 6.681 1.00 0.00 N ATOM 1028 CA VAL A 73 4.917 1.115 5.441 1.00 0.00 C ATOM 1029 C VAL A 73 5.715 0.629 4.236 1.00 0.00 C ATOM 1030 O VAL A 73 5.147 0.292 3.198 1.00 0.00 O ATOM 1031 CB VAL A 73 4.925 2.655 5.461 1.00 0.00 C ATOM 1032 CG1 VAL A 73 4.663 3.209 4.069 1.00 0.00 C ATOM 1033 CG2 VAL A 73 3.899 3.179 6.455 1.00 0.00 C ATOM 0 H VAL A 73 5.463 1.220 7.462 1.00 0.00 H new ATOM 0 HA VAL A 73 3.888 0.766 5.356 1.00 0.00 H new ATOM 0 HB VAL A 73 5.911 2.992 5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.672 4.298 4.103 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.439 2.861 3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.690 2.865 3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.918 4.269 6.457 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.906 2.834 6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.138 2.810 7.453 1.00 0.00 H new ATOM 1043 N GLN A 74 7.036 0.596 4.383 1.00 0.00 N ATOM 1044 CA GLN A 74 7.913 0.151 3.307 1.00 0.00 C ATOM 1045 C GLN A 74 7.702 -1.329 3.009 1.00 0.00 C ATOM 1046 O GLN A 74 7.749 -1.752 1.854 1.00 0.00 O ATOM 1047 CB GLN A 74 9.376 0.406 3.674 1.00 0.00 C ATOM 1048 CG GLN A 74 9.737 1.881 3.746 1.00 0.00 C ATOM 1049 CD GLN A 74 9.887 2.512 2.376 1.00 0.00 C ATOM 1050 OE1 GLN A 74 9.796 1.833 1.353 1.00 0.00 O ATOM 1051 NE2 GLN A 74 10.118 3.820 2.349 1.00 0.00 N ATOM 0 H GLN A 74 7.522 0.872 5.236 1.00 0.00 H new ATOM 0 HA GLN A 74 7.666 0.722 2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.587 -0.058 4.637 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.017 -0.081 2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.967 2.413 4.305 1.00 0.00 H new ATOM 0 HG3 GLN A 74 10.669 1.997 4.299 1.00 0.00 H new ATOM 0 HE21 GLN A 74 10.186 4.344 3.221 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.227 4.300 1.456 1.00 0.00 H new ATOM 1060 N GLN A 75 7.469 -2.112 4.058 1.00 0.00 N ATOM 1061 CA GLN A 75 7.252 -3.546 3.907 1.00 0.00 C ATOM 1062 C GLN A 75 5.926 -3.825 3.206 1.00 0.00 C ATOM 1063 O GLN A 75 5.893 -4.453 2.148 1.00 0.00 O ATOM 1064 CB GLN A 75 7.274 -4.233 5.274 1.00 0.00 C ATOM 1065 CG GLN A 75 8.652 -4.265 5.916 1.00 0.00 C ATOM 1066 CD GLN A 75 9.697 -4.903 5.022 1.00 0.00 C ATOM 1067 OE1 GLN A 75 10.316 -4.233 4.195 1.00 0.00 O ATOM 1068 NE2 GLN A 75 9.901 -6.205 5.185 1.00 0.00 N ATOM 0 H GLN A 75 7.426 -1.778 5.021 1.00 0.00 H new ATOM 0 HA GLN A 75 8.058 -3.948 3.293 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.583 -3.718 5.941 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.910 -5.254 5.164 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.959 -3.248 6.159 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.598 -4.815 6.856 1.00 0.00 H new ATOM 0 HE21 GLN A 75 9.365 -6.722 5.883 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.593 -6.688 4.613 1.00 0.00 H new ATOM 1077 N ALA A 76 4.836 -3.355 3.804 1.00 0.00 N ATOM 1078 CA ALA A 76 3.509 -3.552 3.236 1.00 0.00 C ATOM 1079 C ALA A 76 3.498 -3.240 1.743 1.00 0.00 C ATOM 1080 O ALA A 76 2.912 -3.976 0.948 1.00 0.00 O ATOM 1081 CB ALA A 76 2.489 -2.689 3.964 1.00 0.00 C ATOM 0 H ALA A 76 4.846 -2.835 4.682 1.00 0.00 H new ATOM 0 HA ALA A 76 3.239 -4.600 3.364 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.502 -2.847 3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.468 -2.962 5.019 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.765 -1.639 3.866 1.00 0.00 H new ATOM 1087 N LYS A 77 4.149 -2.144 1.368 1.00 0.00 N ATOM 1088 CA LYS A 77 4.216 -1.734 -0.030 1.00 0.00 C ATOM 1089 C LYS A 77 4.626 -2.902 -0.921 1.00 0.00 C ATOM 1090 O LYS A 77 4.106 -3.066 -2.023 1.00 0.00 O ATOM 1091 CB LYS A 77 5.205 -0.579 -0.197 1.00 0.00 C ATOM 1092 CG LYS A 77 5.746 -0.441 -1.610 1.00 0.00 C ATOM 1093 CD LYS A 77 6.841 0.610 -1.688 1.00 0.00 C ATOM 1094 CE LYS A 77 8.211 0.007 -1.421 1.00 0.00 C ATOM 1095 NZ LYS A 77 8.782 -0.634 -2.638 1.00 0.00 N ATOM 0 H LYS A 77 4.638 -1.523 2.013 1.00 0.00 H new ATOM 0 HA LYS A 77 3.223 -1.401 -0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.715 0.352 0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.039 -0.724 0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.137 -1.401 -1.946 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.935 -0.173 -2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.832 1.074 -2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.642 1.399 -0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.888 0.785 -1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.133 -0.732 -0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.716 -1.033 -2.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.149 -1.394 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.880 0.077 -3.391 1.00 0.00 H new ATOM 1109 N GLU A 78 5.562 -3.712 -0.434 1.00 0.00 N ATOM 1110 CA GLU A 78 6.041 -4.865 -1.187 1.00 0.00 C ATOM 1111 C GLU A 78 4.939 -5.908 -1.344 1.00 0.00 C ATOM 1112 O GLU A 78 4.788 -6.512 -2.405 1.00 0.00 O ATOM 1113 CB GLU A 78 7.254 -5.488 -0.492 1.00 0.00 C ATOM 1114 CG GLU A 78 8.427 -4.533 -0.344 1.00 0.00 C ATOM 1115 CD GLU A 78 9.722 -5.248 -0.011 1.00 0.00 C ATOM 1116 OE1 GLU A 78 9.800 -5.858 1.077 1.00 0.00 O ATOM 1117 OE2 GLU A 78 10.658 -5.198 -0.836 1.00 0.00 O ATOM 0 H GLU A 78 6.003 -3.591 0.478 1.00 0.00 H new ATOM 0 HA GLU A 78 6.336 -4.522 -2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.956 -5.840 0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.577 -6.362 -1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.554 -3.972 -1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.204 -3.808 0.439 1.00 0.00 H new ATOM 1124 N MET A 79 4.173 -6.115 -0.278 1.00 0.00 N ATOM 1125 CA MET A 79 3.084 -7.086 -0.296 1.00 0.00 C ATOM 1126 C MET A 79 2.048 -6.719 -1.354 1.00 0.00 C ATOM 1127 O MET A 79 1.562 -7.581 -2.086 1.00 0.00 O ATOM 1128 CB MET A 79 2.420 -7.166 1.079 1.00 0.00 C ATOM 1129 CG MET A 79 3.154 -8.069 2.057 1.00 0.00 C ATOM 1130 SD MET A 79 2.051 -8.824 3.267 1.00 0.00 S ATOM 1131 CE MET A 79 1.091 -7.403 3.783 1.00 0.00 C ATOM 0 H MET A 79 4.286 -5.624 0.609 1.00 0.00 H new ATOM 0 HA MET A 79 3.503 -8.061 -0.545 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.356 -6.163 1.501 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.399 -7.528 0.960 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.671 -8.853 1.504 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.917 -7.490 2.578 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.303 -7.181 4.829 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.356 -6.543 3.168 1.00 0.00 H new ATOM 0 HE3 MET A 79 0.029 -7.619 3.666 1.00 0.00 H new ATOM 1141 N VAL A 80 1.713 -5.435 -1.428 1.00 0.00 N ATOM 1142 CA VAL A 80 0.735 -4.955 -2.397 1.00 0.00 C ATOM 1143 C VAL A 80 1.301 -4.987 -3.812 1.00 0.00 C ATOM 1144 O VAL A 80 0.711 -5.583 -4.715 1.00 0.00 O ATOM 1145 CB VAL A 80 0.280 -3.520 -2.070 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -0.845 -3.091 -3.001 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -0.153 -3.416 -0.616 1.00 0.00 C ATOM 0 H VAL A 80 2.104 -4.708 -0.829 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.124 -5.624 -2.338 1.00 0.00 H new ATOM 0 HB VAL A 80 1.124 -2.847 -2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.153 -2.075 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.496 -3.124 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.693 -3.766 -2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.471 -2.395 -0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.982 -4.100 -0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.683 -3.678 0.032 1.00 0.00 H new ATOM 1157 N LEU A 81 2.448 -4.344 -3.999 1.00 0.00 N ATOM 1158 CA LEU A 81 3.095 -4.299 -5.306 1.00 0.00 C ATOM 1159 C LEU A 81 3.204 -5.696 -5.908 1.00 0.00 C ATOM 1160 O LEU A 81 3.049 -5.875 -7.115 1.00 0.00 O ATOM 1161 CB LEU A 81 4.486 -3.673 -5.186 1.00 0.00 C ATOM 1162 CG LEU A 81 4.531 -2.146 -5.113 1.00 0.00 C ATOM 1163 CD1 LEU A 81 5.873 -1.677 -4.573 1.00 0.00 C ATOM 1164 CD2 LEU A 81 4.263 -1.539 -6.482 1.00 0.00 C ATOM 0 H LEU A 81 2.949 -3.847 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 81 2.482 -3.686 -5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.967 -4.074 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.082 -3.994 -6.041 1.00 0.00 H new ATOM 0 HG LEU A 81 3.751 -1.810 -4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.887 -0.588 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.025 -2.083 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.671 -2.023 -5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.299 -0.452 -6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.021 -1.882 -7.187 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.277 -1.848 -6.830 1.00 0.00 H new ATOM 1176 N GLU A 82 3.468 -6.683 -5.057 1.00 0.00 N ATOM 1177 CA GLU A 82 3.596 -8.064 -5.506 1.00 0.00 C ATOM 1178 C GLU A 82 2.229 -8.658 -5.834 1.00 0.00 C ATOM 1179 O GLU A 82 2.118 -9.583 -6.639 1.00 0.00 O ATOM 1180 CB GLU A 82 4.288 -8.910 -4.435 1.00 0.00 C ATOM 1181 CG GLU A 82 4.567 -10.338 -4.874 1.00 0.00 C ATOM 1182 CD GLU A 82 5.911 -10.485 -5.562 1.00 0.00 C ATOM 1183 OE1 GLU A 82 6.035 -10.043 -6.723 1.00 0.00 O ATOM 1184 OE2 GLU A 82 6.838 -11.042 -4.938 1.00 0.00 O ATOM 0 H GLU A 82 3.597 -6.552 -4.054 1.00 0.00 H new ATOM 0 HA GLU A 82 4.203 -8.070 -6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.229 -8.433 -4.159 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.666 -8.929 -3.540 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.534 -10.994 -4.004 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.779 -10.667 -5.551 1.00 0.00 H new ATOM 1191 N LEU A 83 1.190 -8.120 -5.204 1.00 0.00 N ATOM 1192 CA LEU A 83 -0.170 -8.596 -5.428 1.00 0.00 C ATOM 1193 C LEU A 83 -0.623 -8.302 -6.855 1.00 0.00 C ATOM 1194 O LEU A 83 -1.380 -9.072 -7.447 1.00 0.00 O ATOM 1195 CB LEU A 83 -1.130 -7.943 -4.432 1.00 0.00 C ATOM 1196 CG LEU A 83 -2.502 -8.603 -4.290 1.00 0.00 C ATOM 1197 CD1 LEU A 83 -3.341 -8.365 -5.536 1.00 0.00 C ATOM 1198 CD2 LEU A 83 -2.351 -10.094 -4.023 1.00 0.00 C ATOM 0 H LEU A 83 1.264 -7.354 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.179 -9.676 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.652 -7.930 -3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.278 -6.904 -4.728 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.015 -8.152 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.314 -8.842 -5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.478 -7.294 -5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.833 -8.788 -6.403 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.337 -10.548 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.818 -10.560 -4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.789 -10.243 -3.101 1.00 0.00 H new ATOM 1210 N ILE A 84 -0.152 -7.186 -7.401 1.00 0.00 N ATOM 1211 CA ILE A 84 -0.506 -6.792 -8.759 1.00 0.00 C ATOM 1212 C ILE A 84 0.465 -7.387 -9.774 1.00 0.00 C ATOM 1213 O ILE A 84 0.165 -7.461 -10.965 1.00 0.00 O ATOM 1214 CB ILE A 84 -0.521 -5.260 -8.916 1.00 0.00 C ATOM 1215 CG1 ILE A 84 0.871 -4.685 -8.645 1.00 0.00 C ATOM 1216 CG2 ILE A 84 -1.548 -4.642 -7.979 1.00 0.00 C ATOM 1217 CD1 ILE A 84 1.145 -3.393 -9.383 1.00 0.00 C ATOM 0 H ILE A 84 0.476 -6.539 -6.924 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.508 -7.177 -8.948 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.801 -5.016 -9.941 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.982 -4.513 -7.574 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.622 -5.423 -8.929 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.547 -3.559 -8.101 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.538 -5.033 -8.215 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.296 -4.891 -6.948 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.149 -3.043 -9.144 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.066 -3.564 -10.457 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.417 -2.640 -9.081 1.00 0.00 H new ATOM 1229 N ARG A 85 1.629 -7.811 -9.293 1.00 0.00 N ATOM 1230 CA ARG A 85 2.644 -8.400 -10.157 1.00 0.00 C ATOM 1231 C ARG A 85 2.269 -9.829 -10.541 1.00 0.00 C ATOM 1232 O ARG A 85 1.378 -10.430 -9.940 1.00 0.00 O ATOM 1233 CB ARG A 85 4.006 -8.388 -9.462 1.00 0.00 C ATOM 1234 CG ARG A 85 4.717 -7.047 -9.538 1.00 0.00 C ATOM 1235 CD ARG A 85 5.983 -7.039 -8.696 1.00 0.00 C ATOM 1236 NE ARG A 85 7.139 -7.534 -9.439 1.00 0.00 N ATOM 1237 CZ ARG A 85 8.380 -7.516 -8.966 1.00 0.00 C ATOM 1238 NH1 ARG A 85 8.625 -7.030 -7.757 1.00 0.00 N ATOM 1239 NH2 ARG A 85 9.379 -7.984 -9.703 1.00 0.00 N ATOM 0 H ARG A 85 1.892 -7.757 -8.309 1.00 0.00 H new ATOM 0 HA ARG A 85 2.703 -7.801 -11.066 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.872 -8.660 -8.415 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.640 -9.152 -9.911 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.967 -6.825 -10.575 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.046 -6.259 -9.196 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.182 -6.025 -8.350 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.832 -7.654 -7.809 1.00 0.00 H new ATOM 0 HE ARG A 85 6.985 -7.915 -10.373 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.860 -6.669 -7.188 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.579 -7.017 -7.396 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.194 -8.358 -10.634 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.332 -7.970 -9.339 1.00 0.00 H new ATOM 1253 N ASP A 86 2.954 -10.365 -11.544 1.00 0.00 N ATOM 1254 CA ASP A 86 2.694 -11.723 -12.008 1.00 0.00 C ATOM 1255 C ASP A 86 3.885 -12.633 -11.722 1.00 0.00 C ATOM 1256 O ASP A 86 4.988 -12.400 -12.216 1.00 0.00 O ATOM 1257 CB ASP A 86 2.385 -11.723 -13.506 1.00 0.00 C ATOM 1258 CG ASP A 86 1.992 -13.096 -14.016 1.00 0.00 C ATOM 1259 OD1 ASP A 86 2.449 -14.100 -13.431 1.00 0.00 O ATOM 1260 OD2 ASP A 86 1.226 -13.165 -15.000 1.00 0.00 O ATOM 0 H ASP A 86 3.694 -9.880 -12.052 1.00 0.00 H new ATOM 0 HA ASP A 86 1.829 -12.106 -11.466 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.578 -11.019 -13.708 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.259 -11.371 -14.054 1.00 0.00 H new ATOM 1265 N GLN A 87 3.654 -13.668 -10.921 1.00 0.00 N ATOM 1266 CA GLN A 87 4.709 -14.611 -10.568 1.00 0.00 C ATOM 1267 C GLN A 87 5.178 -15.386 -11.795 1.00 0.00 C ATOM 1268 O GLN A 87 4.403 -15.638 -12.716 1.00 0.00 O ATOM 1269 CB GLN A 87 4.215 -15.582 -9.494 1.00 0.00 C ATOM 1270 CG GLN A 87 5.324 -16.117 -8.602 1.00 0.00 C ATOM 1271 CD GLN A 87 4.818 -17.108 -7.573 1.00 0.00 C ATOM 1272 OE1 GLN A 87 4.347 -16.723 -6.502 1.00 0.00 O ATOM 1273 NE2 GLN A 87 4.912 -18.393 -7.892 1.00 0.00 N ATOM 0 H GLN A 87 2.746 -13.875 -10.504 1.00 0.00 H new ATOM 0 HA GLN A 87 5.553 -14.044 -10.175 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.473 -15.079 -8.875 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.712 -16.420 -9.977 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.083 -16.597 -9.220 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.808 -15.284 -8.092 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.309 -18.668 -8.791 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.587 -19.106 -7.239 1.00 0.00 H new ATOM 1282 N GLY A 88 6.454 -15.762 -11.799 1.00 0.00 N ATOM 1283 CA GLY A 88 7.005 -16.505 -12.917 1.00 0.00 C ATOM 1284 C GLY A 88 7.238 -15.631 -14.134 1.00 0.00 C ATOM 1285 O GLY A 88 7.009 -14.423 -14.093 1.00 0.00 O ATOM 0 H GLY A 88 7.115 -15.565 -11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.947 -16.963 -12.616 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.326 -17.316 -13.180 1.00 0.00 H new ATOM 1289 N SER A 89 7.697 -16.244 -15.221 1.00 0.00 N ATOM 1290 CA SER A 89 7.968 -15.513 -16.453 1.00 0.00 C ATOM 1291 C SER A 89 7.216 -16.133 -17.628 1.00 0.00 C ATOM 1292 O SER A 89 7.427 -17.295 -17.971 1.00 0.00 O ATOM 1293 CB SER A 89 9.470 -15.500 -16.744 1.00 0.00 C ATOM 1294 OG SER A 89 9.842 -14.329 -17.451 1.00 0.00 O ATOM 0 H SER A 89 7.889 -17.244 -15.273 1.00 0.00 H new ATOM 0 HA SER A 89 7.622 -14.488 -16.322 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.026 -15.555 -15.808 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.738 -16.381 -17.327 1.00 0.00 H new ATOM 0 HG SER A 89 10.807 -14.344 -17.623 1.00 0.00 H new ATOM 1300 N GLY A 90 6.337 -15.346 -18.241 1.00 0.00 N ATOM 1301 CA GLY A 90 5.566 -15.833 -19.370 1.00 0.00 C ATOM 1302 C GLY A 90 5.922 -15.126 -20.663 1.00 0.00 C ATOM 1303 O GLY A 90 6.281 -13.948 -20.673 1.00 0.00 O ATOM 0 H GLY A 90 6.145 -14.380 -17.976 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.735 -16.904 -19.486 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.504 -15.698 -19.166 1.00 0.00 H new ATOM 1307 N PRO A 91 5.824 -15.852 -21.786 1.00 0.00 N ATOM 1308 CA PRO A 91 6.134 -15.308 -23.111 1.00 0.00 C ATOM 1309 C PRO A 91 5.107 -14.279 -23.570 1.00 0.00 C ATOM 1310 O PRO A 91 5.331 -13.554 -24.539 1.00 0.00 O ATOM 1311 CB PRO A 91 6.099 -16.540 -24.018 1.00 0.00 C ATOM 1312 CG PRO A 91 5.198 -17.499 -23.320 1.00 0.00 C ATOM 1313 CD PRO A 91 5.401 -17.262 -21.849 1.00 0.00 C ATOM 0 HA PRO A 91 7.088 -14.781 -23.122 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.720 -16.291 -25.009 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.096 -16.960 -24.154 1.00 0.00 H new ATOM 0 HG2 PRO A 91 4.158 -17.334 -23.602 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.441 -18.528 -23.587 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.484 -17.432 -21.284 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.159 -17.928 -21.435 1.00 0.00 H new ATOM 1321 N SER A 92 3.980 -14.221 -22.868 1.00 0.00 N ATOM 1322 CA SER A 92 2.916 -13.282 -23.206 1.00 0.00 C ATOM 1323 C SER A 92 2.940 -12.075 -22.273 1.00 0.00 C ATOM 1324 O SER A 92 2.909 -12.220 -21.051 1.00 0.00 O ATOM 1325 CB SER A 92 1.553 -13.974 -23.129 1.00 0.00 C ATOM 1326 OG SER A 92 0.634 -13.391 -24.036 1.00 0.00 O ATOM 0 H SER A 92 3.780 -14.813 -22.062 1.00 0.00 H new ATOM 0 HA SER A 92 3.082 -12.934 -24.226 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.667 -15.035 -23.353 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.162 -13.903 -22.114 1.00 0.00 H new ATOM 0 HG SER A 92 -0.228 -13.852 -23.969 1.00 0.00 H new ATOM 1332 N SER A 93 2.995 -10.883 -22.860 1.00 0.00 N ATOM 1333 CA SER A 93 3.027 -9.650 -22.082 1.00 0.00 C ATOM 1334 C SER A 93 1.618 -9.227 -21.677 1.00 0.00 C ATOM 1335 O SER A 93 0.986 -8.410 -22.345 1.00 0.00 O ATOM 1336 CB SER A 93 3.695 -8.533 -22.886 1.00 0.00 C ATOM 1337 OG SER A 93 5.107 -8.633 -22.822 1.00 0.00 O ATOM 0 H SER A 93 3.018 -10.745 -23.870 1.00 0.00 H new ATOM 0 HA SER A 93 3.607 -9.834 -21.178 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.370 -8.585 -23.925 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.378 -7.564 -22.501 1.00 0.00 H new ATOM 0 HG SER A 93 5.510 -7.909 -23.345 1.00 0.00 H new ATOM 1343 N GLY A 94 1.132 -9.791 -20.575 1.00 0.00 N ATOM 1344 CA GLY A 94 -0.199 -9.461 -20.098 1.00 0.00 C ATOM 1345 C GLY A 94 -0.208 -9.061 -18.636 1.00 0.00 C ATOM 1346 O GLY A 94 0.642 -9.500 -17.860 1.00 0.00 O ATOM 0 H GLY A 94 1.636 -10.470 -20.004 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.605 -8.646 -20.697 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.856 -10.319 -20.241 1.00 0.00 H new TER 1350 GLY A 94