USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 690 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 46 TYR OH : rot 99:sc= 0.925 USER MOD Set 1.2: A 61 THR OG1 : rot 120:sc= 1.17 USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 10 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 9 GLN :FLIP amide:sc= -0.826 F(o=-1.9,f=-0.83) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0166 X(o=-0.017,f=-0.012) USER MOD Single : A 19 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0406) USER MOD Single : A 25 GLN : amide:sc= -0.702 X(o=-0.7,f=-0.7) USER MOD Single : A 26 SER OG : rot 150:sc= -0.524 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0138 USER MOD Single : A 37 CYS SG : rot -160:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -13.3! C(o=-13!,f=-15!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc=-0.00827 X(o=-0.0083,f=-0.038) USER MOD Single : A 48 THR OG1 : rot 90:sc= -0.251 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -159:sc= -0.673 (180deg=-0.929) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -7.49! C(o=-7.5!,f=-12!) USER MOD Single : A 64 THR OG1 : rot 107:sc= -4.29! USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -6.84! C(o=-6.8!,f=-6.4!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.136 USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= 0.0809 (180deg=0.0187) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 120:sc= -0.255 USER MOD Single : A 86 SER OG : rot 180:sc=-0.00453 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.450 -23.439 -11.348 1.00 0.00 N ATOM 2 CA GLY A 1 -0.687 -24.674 -11.399 1.00 0.00 C ATOM 3 C GLY A 1 -0.529 -25.280 -10.003 1.00 0.00 C ATOM 4 O GLY A 1 -1.519 -25.588 -9.341 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.543 -23.048 -12.307 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.395 -23.631 -10.959 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.959 -22.752 -10.741 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.187 -25.387 -12.054 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.296 -24.481 -11.829 1.00 0.00 H new ATOM 8 N SER A 2 0.723 -25.434 -9.598 1.00 0.00 N ATOM 9 CA SER A 2 1.023 -25.998 -8.293 1.00 0.00 C ATOM 10 C SER A 2 2.262 -25.323 -7.703 1.00 0.00 C ATOM 11 O SER A 2 3.389 -25.703 -8.017 1.00 0.00 O ATOM 12 CB SER A 2 1.234 -27.511 -8.382 1.00 0.00 C ATOM 13 OG SER A 2 0.012 -28.209 -8.604 1.00 0.00 O ATOM 0 H SER A 2 1.541 -25.178 -10.151 1.00 0.00 H new ATOM 0 HA SER A 2 0.171 -25.815 -7.638 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.930 -27.733 -9.191 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.693 -27.868 -7.460 1.00 0.00 H new ATOM 0 HG SER A 2 0.190 -29.171 -8.656 1.00 0.00 H new ATOM 19 N SER A 3 2.012 -24.332 -6.859 1.00 0.00 N ATOM 20 CA SER A 3 3.094 -23.600 -6.223 1.00 0.00 C ATOM 21 C SER A 3 2.937 -23.651 -4.702 1.00 0.00 C ATOM 22 O SER A 3 1.828 -23.527 -4.184 1.00 0.00 O ATOM 23 CB SER A 3 3.135 -22.149 -6.704 1.00 0.00 C ATOM 24 OG SER A 3 3.774 -22.024 -7.971 1.00 0.00 O ATOM 0 H SER A 3 1.076 -24.019 -6.601 1.00 0.00 H new ATOM 0 HA SER A 3 4.036 -24.073 -6.501 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.119 -21.760 -6.771 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.662 -21.539 -5.971 1.00 0.00 H new ATOM 0 HG SER A 3 3.778 -21.083 -8.244 1.00 0.00 H new ATOM 30 N GLY A 4 4.063 -23.834 -4.028 1.00 0.00 N ATOM 31 CA GLY A 4 4.064 -23.903 -2.577 1.00 0.00 C ATOM 32 C GLY A 4 4.154 -22.505 -1.962 1.00 0.00 C ATOM 33 O GLY A 4 3.213 -22.045 -1.315 1.00 0.00 O ATOM 0 H GLY A 4 4.981 -23.937 -4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.156 -24.398 -2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.905 -24.508 -2.239 1.00 0.00 H new ATOM 37 N SER A 5 5.293 -21.867 -2.184 1.00 0.00 N ATOM 38 CA SER A 5 5.518 -20.530 -1.660 1.00 0.00 C ATOM 39 C SER A 5 4.529 -19.548 -2.291 1.00 0.00 C ATOM 40 O SER A 5 3.748 -18.910 -1.586 1.00 0.00 O ATOM 41 CB SER A 5 6.956 -20.073 -1.915 1.00 0.00 C ATOM 42 OG SER A 5 7.903 -20.872 -1.211 1.00 0.00 O ATOM 0 H SER A 5 6.071 -22.251 -2.720 1.00 0.00 H new ATOM 0 HA SER A 5 5.359 -20.554 -0.582 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.167 -20.118 -2.983 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.064 -19.031 -1.613 1.00 0.00 H new ATOM 0 HG SER A 5 8.809 -20.550 -1.401 1.00 0.00 H new ATOM 48 N SER A 6 4.595 -19.457 -3.611 1.00 0.00 N ATOM 49 CA SER A 6 3.715 -18.563 -4.344 1.00 0.00 C ATOM 50 C SER A 6 2.297 -18.641 -3.775 1.00 0.00 C ATOM 51 O SER A 6 1.741 -17.632 -3.344 1.00 0.00 O ATOM 52 CB SER A 6 3.708 -18.899 -5.837 1.00 0.00 C ATOM 53 OG SER A 6 3.467 -17.749 -6.642 1.00 0.00 O ATOM 0 H SER A 6 5.244 -19.988 -4.192 1.00 0.00 H new ATOM 0 HA SER A 6 4.089 -17.546 -4.230 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.665 -19.341 -6.114 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.942 -19.648 -6.036 1.00 0.00 H new ATOM 0 HG SER A 6 3.472 -18.005 -7.588 1.00 0.00 H new ATOM 59 N GLY A 7 1.753 -19.849 -3.792 1.00 0.00 N ATOM 60 CA GLY A 7 0.411 -20.072 -3.282 1.00 0.00 C ATOM 61 C GLY A 7 0.296 -19.623 -1.824 1.00 0.00 C ATOM 62 O GLY A 7 -0.769 -19.190 -1.387 1.00 0.00 O ATOM 0 H GLY A 7 2.217 -20.683 -4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.309 -19.526 -3.892 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.159 -21.130 -3.361 1.00 0.00 H new ATOM 66 N ASP A 8 1.407 -19.742 -1.113 1.00 0.00 N ATOM 67 CA ASP A 8 1.444 -19.353 0.287 1.00 0.00 C ATOM 68 C ASP A 8 1.286 -17.836 0.395 1.00 0.00 C ATOM 69 O ASP A 8 0.382 -17.349 1.072 1.00 0.00 O ATOM 70 CB ASP A 8 2.779 -19.737 0.930 1.00 0.00 C ATOM 71 CG ASP A 8 2.669 -20.384 2.311 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.932 -19.818 3.147 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.324 -21.432 2.501 1.00 0.00 O ATOM 0 H ASP A 8 2.288 -20.102 -1.479 1.00 0.00 H new ATOM 0 HA ASP A 8 0.634 -19.869 0.802 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.301 -20.424 0.264 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.396 -18.842 1.013 1.00 0.00 H new ATOM 78 N GLN A 9 2.180 -17.130 -0.282 1.00 0.00 N ATOM 79 CA GLN A 9 2.151 -15.677 -0.271 1.00 0.00 C ATOM 80 C GLN A 9 0.878 -15.166 -0.949 1.00 0.00 C ATOM 81 O GLN A 9 0.434 -14.051 -0.683 1.00 0.00 O ATOM 82 CB GLN A 9 3.399 -15.099 -0.940 1.00 0.00 C ATOM 83 CG GLN A 9 3.448 -15.470 -2.423 1.00 0.00 C ATOM 84 CD GLN A 9 4.352 -14.511 -3.200 1.00 0.00 C ATOM 85 OE1 GLN A 9 5.582 -14.974 -3.407 1.00 0.00 O flip ATOM 86 NE2 GLN A 9 3.959 -13.422 -3.585 1.00 0.00 N flip ATOM 0 H GLN A 9 2.929 -17.537 -0.842 1.00 0.00 H new ATOM 0 HA GLN A 9 2.146 -15.341 0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.404 -14.014 -0.833 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.291 -15.473 -0.438 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.814 -16.491 -2.534 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.442 -15.445 -2.841 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.002 -13.128 -3.392 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.588 -12.806 -4.100 1.00 0.00 H new ATOM 95 N LYS A 10 0.328 -16.007 -1.812 1.00 0.00 N ATOM 96 CA LYS A 10 -0.885 -15.654 -2.531 1.00 0.00 C ATOM 97 C LYS A 10 -1.990 -15.322 -1.525 1.00 0.00 C ATOM 98 O LYS A 10 -2.720 -14.347 -1.700 1.00 0.00 O ATOM 99 CB LYS A 10 -1.264 -16.760 -3.517 1.00 0.00 C ATOM 100 CG LYS A 10 -1.420 -16.202 -4.933 1.00 0.00 C ATOM 101 CD LYS A 10 -0.220 -16.578 -5.806 1.00 0.00 C ATOM 102 CE LYS A 10 -0.300 -15.893 -7.171 1.00 0.00 C ATOM 103 NZ LYS A 10 1.005 -15.291 -7.526 1.00 0.00 N ATOM 0 H LYS A 10 0.699 -16.932 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.724 -14.761 -3.135 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.499 -17.536 -3.510 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.196 -17.229 -3.202 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.335 -16.588 -5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.518 -15.117 -4.891 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.704 -16.290 -5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.187 -17.659 -5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.592 -16.617 -7.931 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.070 -15.122 -7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.933 -14.830 -8.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.268 -14.585 -6.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.732 -16.034 -7.563 1.00 0.00 H new ATOM 117 N LYS A 11 -2.077 -16.150 -0.495 1.00 0.00 N ATOM 118 CA LYS A 11 -3.080 -15.956 0.538 1.00 0.00 C ATOM 119 C LYS A 11 -2.773 -14.669 1.306 1.00 0.00 C ATOM 120 O LYS A 11 -3.672 -13.875 1.579 1.00 0.00 O ATOM 121 CB LYS A 11 -3.178 -17.196 1.429 1.00 0.00 C ATOM 122 CG LYS A 11 -3.851 -18.353 0.687 1.00 0.00 C ATOM 123 CD LYS A 11 -3.977 -19.582 1.589 1.00 0.00 C ATOM 124 CE LYS A 11 -5.349 -20.242 1.427 1.00 0.00 C ATOM 125 NZ LYS A 11 -5.405 -21.512 2.184 1.00 0.00 N ATOM 0 H LYS A 11 -1.469 -16.957 -0.353 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.067 -15.833 0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.181 -17.497 1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.745 -16.958 2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.839 -18.045 0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.272 -18.607 -0.201 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.193 -20.299 1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.830 -19.291 2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.128 -19.567 1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.546 -20.432 0.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.342 -21.947 2.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.674 -22.161 1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.238 -21.322 3.193 1.00 0.00 H new ATOM 139 N PHE A 12 -1.500 -14.503 1.633 1.00 0.00 N ATOM 140 CA PHE A 12 -1.062 -13.326 2.364 1.00 0.00 C ATOM 141 C PHE A 12 -1.306 -12.053 1.551 1.00 0.00 C ATOM 142 O PHE A 12 -1.982 -11.136 2.014 1.00 0.00 O ATOM 143 CB PHE A 12 0.440 -13.482 2.606 1.00 0.00 C ATOM 144 CG PHE A 12 1.109 -12.237 3.191 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.407 -11.183 2.384 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.407 -12.183 4.517 1.00 0.00 C ATOM 147 CE1 PHE A 12 2.028 -10.027 2.926 1.00 0.00 C ATOM 148 CE2 PHE A 12 2.028 -11.027 5.059 1.00 0.00 C ATOM 149 CZ PHE A 12 2.325 -9.973 4.252 1.00 0.00 C ATOM 0 H PHE A 12 -0.757 -15.164 1.405 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.618 -13.241 3.298 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.603 -14.321 3.282 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.925 -13.733 1.663 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.171 -11.226 1.331 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.171 -13.020 5.158 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.265 -9.190 2.285 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.265 -10.984 6.112 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.797 -9.093 4.664 1.00 0.00 H new ATOM 159 N ILE A 13 -0.742 -12.038 0.352 1.00 0.00 N ATOM 160 CA ILE A 13 -0.890 -10.893 -0.531 1.00 0.00 C ATOM 161 C ILE A 13 -2.377 -10.605 -0.741 1.00 0.00 C ATOM 162 O ILE A 13 -2.835 -9.486 -0.517 1.00 0.00 O ATOM 163 CB ILE A 13 -0.116 -11.116 -1.832 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.176 -9.787 -2.531 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.854 -12.095 -2.747 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.379 -9.086 -1.896 1.00 0.00 C ATOM 0 H ILE A 13 -0.182 -12.801 -0.029 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.454 -10.003 -0.077 1.00 0.00 H new ATOM 0 HB ILE A 13 0.845 -11.567 -1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.370 -9.963 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.699 -9.140 -2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.283 -12.236 -3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.967 -13.053 -2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.838 -11.694 -2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.565 -8.144 -2.412 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.172 -8.889 -0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.258 -9.725 -1.979 1.00 0.00 H new ATOM 178 N ASP A 14 -3.092 -11.635 -1.170 1.00 0.00 N ATOM 179 CA ASP A 14 -4.518 -11.507 -1.413 1.00 0.00 C ATOM 180 C ASP A 14 -5.165 -10.758 -0.247 1.00 0.00 C ATOM 181 O ASP A 14 -5.848 -9.755 -0.451 1.00 0.00 O ATOM 182 CB ASP A 14 -5.185 -12.880 -1.521 1.00 0.00 C ATOM 183 CG ASP A 14 -6.698 -12.849 -1.744 1.00 0.00 C ATOM 184 OD1 ASP A 14 -7.204 -11.748 -2.051 1.00 0.00 O ATOM 185 OD2 ASP A 14 -7.315 -13.927 -1.603 1.00 0.00 O ATOM 0 H ASP A 14 -2.709 -12.562 -1.355 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.652 -10.966 -2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.723 -13.428 -2.342 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.979 -13.440 -0.609 1.00 0.00 H new ATOM 190 N GLN A 15 -4.928 -11.273 0.950 1.00 0.00 N ATOM 191 CA GLN A 15 -5.479 -10.665 2.150 1.00 0.00 C ATOM 192 C GLN A 15 -5.204 -9.160 2.156 1.00 0.00 C ATOM 193 O GLN A 15 -6.065 -8.370 2.541 1.00 0.00 O ATOM 194 CB GLN A 15 -4.918 -11.330 3.408 1.00 0.00 C ATOM 195 CG GLN A 15 -5.542 -12.711 3.623 1.00 0.00 C ATOM 196 CD GLN A 15 -6.152 -12.825 5.022 1.00 0.00 C ATOM 197 OE1 GLN A 15 -7.065 -12.103 5.389 1.00 0.00 O ATOM 198 NE2 GLN A 15 -5.600 -13.770 5.778 1.00 0.00 N ATOM 0 H GLN A 15 -4.362 -12.105 1.115 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.558 -10.817 2.149 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.836 -11.426 3.321 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.114 -10.699 4.275 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.311 -12.887 2.871 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.783 -13.482 3.489 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.839 -14.339 5.408 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.938 -13.926 6.728 1.00 0.00 H new ATOM 207 N VAL A 16 -4.001 -8.809 1.725 1.00 0.00 N ATOM 208 CA VAL A 16 -3.603 -7.412 1.676 1.00 0.00 C ATOM 209 C VAL A 16 -4.420 -6.690 0.603 1.00 0.00 C ATOM 210 O VAL A 16 -4.972 -5.620 0.853 1.00 0.00 O ATOM 211 CB VAL A 16 -2.093 -7.307 1.450 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.659 -5.845 1.323 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.321 -8.014 2.565 1.00 0.00 C ATOM 0 H VAL A 16 -3.290 -9.467 1.407 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.811 -6.922 2.627 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.859 -7.809 0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.582 -5.798 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.172 -5.385 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.914 -5.309 2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.251 -7.924 2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.563 -7.554 3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.598 -9.068 2.588 1.00 0.00 H new ATOM 223 N ILE A 17 -4.472 -7.305 -0.570 1.00 0.00 N ATOM 224 CA ILE A 17 -5.213 -6.734 -1.682 1.00 0.00 C ATOM 225 C ILE A 17 -6.537 -6.165 -1.168 1.00 0.00 C ATOM 226 O ILE A 17 -6.923 -5.056 -1.534 1.00 0.00 O ATOM 227 CB ILE A 17 -5.378 -7.765 -2.800 1.00 0.00 C ATOM 228 CG1 ILE A 17 -4.032 -8.388 -3.176 1.00 0.00 C ATOM 229 CG2 ILE A 17 -6.083 -7.151 -4.011 1.00 0.00 C ATOM 230 CD1 ILE A 17 -2.931 -7.328 -3.221 1.00 0.00 C ATOM 0 H ILE A 17 -4.013 -8.193 -0.774 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.660 -5.905 -2.124 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.013 -8.570 -2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.770 -9.160 -2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.112 -8.876 -4.147 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.188 -7.904 -4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.070 -6.795 -3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.494 -6.316 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.985 -7.797 -3.491 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.185 -6.571 -3.963 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.837 -6.859 -2.242 1.00 0.00 H new ATOM 242 N GLU A 18 -7.196 -6.951 -0.329 1.00 0.00 N ATOM 243 CA GLU A 18 -8.468 -6.539 0.238 1.00 0.00 C ATOM 244 C GLU A 18 -8.337 -5.162 0.892 1.00 0.00 C ATOM 245 O GLU A 18 -9.199 -4.302 0.715 1.00 0.00 O ATOM 246 CB GLU A 18 -8.983 -7.575 1.240 1.00 0.00 C ATOM 247 CG GLU A 18 -9.780 -8.673 0.532 1.00 0.00 C ATOM 248 CD GLU A 18 -11.072 -8.114 -0.067 1.00 0.00 C ATOM 249 OE1 GLU A 18 -12.042 -7.973 0.708 1.00 0.00 O ATOM 250 OE2 GLU A 18 -11.060 -7.839 -1.286 1.00 0.00 O ATOM 0 H GLU A 18 -6.873 -7.871 -0.029 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.197 -6.468 -0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.143 -8.018 1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.612 -7.086 1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.172 -9.118 -0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.017 -9.468 1.239 1.00 0.00 H new ATOM 257 N LYS A 19 -7.253 -4.996 1.635 1.00 0.00 N ATOM 258 CA LYS A 19 -6.998 -3.738 2.317 1.00 0.00 C ATOM 259 C LYS A 19 -6.919 -2.611 1.285 1.00 0.00 C ATOM 260 O LYS A 19 -7.542 -1.564 1.455 1.00 0.00 O ATOM 261 CB LYS A 19 -5.755 -3.850 3.202 1.00 0.00 C ATOM 262 CG LYS A 19 -6.063 -4.628 4.483 1.00 0.00 C ATOM 263 CD LYS A 19 -4.790 -4.868 5.298 1.00 0.00 C ATOM 264 CE LYS A 19 -5.123 -5.427 6.682 1.00 0.00 C ATOM 265 NZ LYS A 19 -5.619 -4.352 7.570 1.00 0.00 N ATOM 0 H LYS A 19 -6.541 -5.712 1.780 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.820 -3.497 2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.957 -4.349 2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.393 -2.853 3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.785 -4.075 5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.523 -5.583 4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.140 -5.564 4.768 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.239 -3.933 5.402 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.876 -6.210 6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.236 -5.887 7.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.728 -4.722 8.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.939 -3.565 7.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.539 -4.013 7.224 1.00 0.00 H new ATOM 279 N ILE A 20 -6.147 -2.863 0.238 1.00 0.00 N ATOM 280 CA ILE A 20 -5.978 -1.883 -0.821 1.00 0.00 C ATOM 281 C ILE A 20 -7.340 -1.574 -1.446 1.00 0.00 C ATOM 282 O ILE A 20 -7.789 -0.429 -1.428 1.00 0.00 O ATOM 283 CB ILE A 20 -4.932 -2.360 -1.831 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.543 -2.423 -1.193 1.00 0.00 C ATOM 285 CG2 ILE A 20 -4.946 -1.488 -3.088 1.00 0.00 C ATOM 286 CD1 ILE A 20 -2.816 -3.710 -1.587 1.00 0.00 C ATOM 0 H ILE A 20 -5.631 -3.732 0.101 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.593 -0.947 -0.416 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.191 -3.373 -2.139 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.956 -1.559 -1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.635 -2.370 -0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.193 -1.848 -3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.930 -1.538 -3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.725 -0.456 -2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.831 -3.729 -1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.394 -4.571 -1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.704 -3.748 -2.671 1.00 0.00 H new ATOM 298 N GLU A 21 -7.959 -2.615 -1.983 1.00 0.00 N ATOM 299 CA GLU A 21 -9.260 -2.468 -2.613 1.00 0.00 C ATOM 300 C GLU A 21 -10.181 -1.617 -1.736 1.00 0.00 C ATOM 301 O GLU A 21 -10.647 -0.561 -2.162 1.00 0.00 O ATOM 302 CB GLU A 21 -9.886 -3.834 -2.900 1.00 0.00 C ATOM 303 CG GLU A 21 -9.328 -4.432 -4.193 1.00 0.00 C ATOM 304 CD GLU A 21 -10.368 -4.381 -5.315 1.00 0.00 C ATOM 305 OE1 GLU A 21 -10.926 -3.281 -5.521 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.582 -5.442 -5.940 1.00 0.00 O ATOM 0 H GLU A 21 -7.584 -3.563 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.125 -1.958 -3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.689 -4.510 -2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.968 -3.733 -2.979 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.435 -3.885 -4.495 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.026 -5.465 -4.019 1.00 0.00 H new ATOM 313 N ASP A 22 -10.414 -2.107 -0.528 1.00 0.00 N ATOM 314 CA ASP A 22 -11.271 -1.404 0.412 1.00 0.00 C ATOM 315 C ASP A 22 -10.809 0.050 0.527 1.00 0.00 C ATOM 316 O ASP A 22 -11.616 0.972 0.418 1.00 0.00 O ATOM 317 CB ASP A 22 -11.196 -2.035 1.804 1.00 0.00 C ATOM 318 CG ASP A 22 -12.407 -1.768 2.701 1.00 0.00 C ATOM 319 OD1 ASP A 22 -13.537 -1.949 2.198 1.00 0.00 O ATOM 320 OD2 ASP A 22 -12.175 -1.390 3.869 1.00 0.00 O ATOM 0 H ASP A 22 -10.025 -2.982 -0.178 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.295 -1.463 0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.076 -3.113 1.692 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.302 -1.665 2.306 1.00 0.00 H new ATOM 325 N PHE A 23 -9.512 0.210 0.746 1.00 0.00 N ATOM 326 CA PHE A 23 -8.933 1.536 0.876 1.00 0.00 C ATOM 327 C PHE A 23 -9.235 2.391 -0.357 1.00 0.00 C ATOM 328 O PHE A 23 -9.494 3.587 -0.239 1.00 0.00 O ATOM 329 CB PHE A 23 -7.419 1.354 0.997 1.00 0.00 C ATOM 330 CG PHE A 23 -6.605 2.524 0.443 1.00 0.00 C ATOM 331 CD1 PHE A 23 -6.908 3.798 0.811 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.577 2.292 -0.417 1.00 0.00 C ATOM 333 CE1 PHE A 23 -6.152 4.885 0.297 1.00 0.00 C ATOM 334 CE2 PHE A 23 -4.822 3.378 -0.931 1.00 0.00 C ATOM 335 CZ PHE A 23 -5.125 4.652 -0.564 1.00 0.00 C ATOM 0 H PHE A 23 -8.846 -0.557 0.837 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.353 2.041 1.746 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.163 1.212 2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.130 0.443 0.473 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.724 3.983 1.494 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.335 1.281 -0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.392 5.896 0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.006 3.193 -1.614 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.551 5.478 -0.956 1.00 0.00 H new ATOM 345 N LEU A 24 -9.191 1.742 -1.511 1.00 0.00 N ATOM 346 CA LEU A 24 -9.456 2.427 -2.765 1.00 0.00 C ATOM 347 C LEU A 24 -10.941 2.788 -2.839 1.00 0.00 C ATOM 348 O LEU A 24 -11.300 3.855 -3.334 1.00 0.00 O ATOM 349 CB LEU A 24 -8.967 1.589 -3.947 1.00 0.00 C ATOM 350 CG LEU A 24 -7.469 1.279 -3.976 1.00 0.00 C ATOM 351 CD1 LEU A 24 -7.175 0.074 -4.871 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.662 2.511 -4.389 1.00 0.00 C ATOM 0 H LEU A 24 -8.976 0.749 -1.604 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.897 3.362 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.513 0.646 -3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.228 2.110 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.156 1.013 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.103 -0.124 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.705 -0.799 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.507 0.286 -5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.601 2.263 -4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.971 2.832 -5.384 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.838 3.317 -3.677 1.00 0.00 H new ATOM 364 N GLN A 25 -11.765 1.877 -2.341 1.00 0.00 N ATOM 365 CA GLN A 25 -13.202 2.086 -2.345 1.00 0.00 C ATOM 366 C GLN A 25 -13.555 3.364 -1.581 1.00 0.00 C ATOM 367 O GLN A 25 -14.325 4.190 -2.069 1.00 0.00 O ATOM 368 CB GLN A 25 -13.934 0.877 -1.758 1.00 0.00 C ATOM 369 CG GLN A 25 -13.961 -0.284 -2.754 1.00 0.00 C ATOM 370 CD GLN A 25 -14.547 0.159 -4.096 1.00 0.00 C ATOM 371 OE1 GLN A 25 -15.573 0.815 -4.169 1.00 0.00 O ATOM 372 NE2 GLN A 25 -13.841 -0.236 -5.152 1.00 0.00 N ATOM 0 H GLN A 25 -11.464 0.992 -1.932 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.529 2.201 -3.378 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.442 0.561 -0.838 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.953 1.158 -1.494 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.950 -0.664 -2.902 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -14.554 -1.103 -2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.990 -0.783 -5.021 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.150 0.009 -6.093 1.00 0.00 H new ATOM 381 N SER A 26 -12.975 3.487 -0.396 1.00 0.00 N ATOM 382 CA SER A 26 -13.219 4.650 0.439 1.00 0.00 C ATOM 383 C SER A 26 -12.754 5.918 -0.280 1.00 0.00 C ATOM 384 O SER A 26 -11.768 5.892 -1.015 1.00 0.00 O ATOM 385 CB SER A 26 -12.511 4.516 1.789 1.00 0.00 C ATOM 386 OG SER A 26 -13.240 5.146 2.839 1.00 0.00 O ATOM 0 H SER A 26 -12.337 2.800 0.005 1.00 0.00 H new ATOM 0 HA SER A 26 -14.291 4.718 0.626 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.376 3.460 2.024 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.517 4.958 1.722 1.00 0.00 H new ATOM 0 HG SER A 26 -13.071 4.676 3.682 1.00 0.00 H new ATOM 392 N GLU A 27 -13.486 6.996 -0.043 1.00 0.00 N ATOM 393 CA GLU A 27 -13.161 8.272 -0.659 1.00 0.00 C ATOM 394 C GLU A 27 -12.250 9.088 0.260 1.00 0.00 C ATOM 395 O GLU A 27 -11.141 9.455 -0.126 1.00 0.00 O ATOM 396 CB GLU A 27 -14.430 9.052 -1.007 1.00 0.00 C ATOM 397 CG GLU A 27 -14.529 9.295 -2.514 1.00 0.00 C ATOM 398 CD GLU A 27 -15.822 10.032 -2.868 1.00 0.00 C ATOM 399 OE1 GLU A 27 -16.895 9.495 -2.517 1.00 0.00 O ATOM 400 OE2 GLU A 27 -15.708 11.115 -3.480 1.00 0.00 O ATOM 0 H GLU A 27 -14.303 7.013 0.567 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.627 8.079 -1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.306 8.500 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.430 10.006 -0.480 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.671 9.878 -2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.493 8.342 -3.042 1.00 0.00 H new ATOM 407 N GLU A 28 -12.752 9.349 1.458 1.00 0.00 N ATOM 408 CA GLU A 28 -11.997 10.115 2.435 1.00 0.00 C ATOM 409 C GLU A 28 -10.562 9.593 2.525 1.00 0.00 C ATOM 410 O GLU A 28 -9.619 10.375 2.637 1.00 0.00 O ATOM 411 CB GLU A 28 -12.680 10.083 3.804 1.00 0.00 C ATOM 412 CG GLU A 28 -12.915 8.643 4.265 1.00 0.00 C ATOM 413 CD GLU A 28 -13.806 8.604 5.508 1.00 0.00 C ATOM 414 OE1 GLU A 28 -13.427 9.264 6.499 1.00 0.00 O ATOM 415 OE2 GLU A 28 -14.847 7.916 5.438 1.00 0.00 O ATOM 0 H GLU A 28 -13.672 9.044 1.774 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.965 11.154 2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.063 10.607 4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.632 10.612 3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.380 8.072 3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.959 8.167 4.483 1.00 0.00 H new ATOM 422 N LYS A 29 -10.441 8.275 2.473 1.00 0.00 N ATOM 423 CA LYS A 29 -9.137 7.639 2.548 1.00 0.00 C ATOM 424 C LYS A 29 -8.217 8.246 1.487 1.00 0.00 C ATOM 425 O LYS A 29 -8.567 8.291 0.309 1.00 0.00 O ATOM 426 CB LYS A 29 -9.275 6.119 2.445 1.00 0.00 C ATOM 427 CG LYS A 29 -10.093 5.562 3.612 1.00 0.00 C ATOM 428 CD LYS A 29 -9.949 4.041 3.706 1.00 0.00 C ATOM 429 CE LYS A 29 -10.230 3.551 5.128 1.00 0.00 C ATOM 430 NZ LYS A 29 -9.030 2.900 5.698 1.00 0.00 N ATOM 0 H LYS A 29 -11.225 7.630 2.380 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.676 7.829 3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.755 5.857 1.502 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.286 5.660 2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.762 6.020 4.544 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.143 5.824 3.483 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.638 3.563 3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.942 3.748 3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.529 4.390 5.756 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.063 2.848 5.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.238 2.573 6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.763 2.087 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.245 3.582 5.725 1.00 0.00 H new ATOM 444 N ARG A 30 -7.058 8.698 1.943 1.00 0.00 N ATOM 445 CA ARG A 30 -6.085 9.301 1.048 1.00 0.00 C ATOM 446 C ARG A 30 -4.814 8.451 0.996 1.00 0.00 C ATOM 447 O ARG A 30 -4.165 8.362 -0.045 1.00 0.00 O ATOM 448 CB ARG A 30 -5.725 10.718 1.500 1.00 0.00 C ATOM 449 CG ARG A 30 -6.928 11.654 1.378 1.00 0.00 C ATOM 450 CD ARG A 30 -6.973 12.313 -0.003 1.00 0.00 C ATOM 451 NE ARG A 30 -6.826 13.779 0.131 1.00 0.00 N ATOM 452 CZ ARG A 30 -7.085 14.653 -0.851 1.00 0.00 C ATOM 453 NH1 ARG A 30 -7.506 14.214 -2.045 1.00 0.00 N ATOM 454 NH2 ARG A 30 -6.923 15.966 -0.640 1.00 0.00 N ATOM 0 H ARG A 30 -6.771 8.659 2.921 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.533 9.351 0.056 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.379 10.697 2.533 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.901 11.098 0.896 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.848 11.094 1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.875 12.422 2.150 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.176 11.915 -0.631 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.916 12.077 -0.497 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.507 14.148 1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.629 13.214 -2.206 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.703 14.879 -2.792 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.602 16.301 0.269 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.120 16.631 -1.388 1.00 0.00 H new ATOM 468 N SER A 31 -4.496 7.848 2.133 1.00 0.00 N ATOM 469 CA SER A 31 -3.314 7.008 2.229 1.00 0.00 C ATOM 470 C SER A 31 -3.575 5.847 3.192 1.00 0.00 C ATOM 471 O SER A 31 -4.037 6.057 4.312 1.00 0.00 O ATOM 472 CB SER A 31 -2.100 7.817 2.690 1.00 0.00 C ATOM 473 OG SER A 31 -2.298 9.218 2.523 1.00 0.00 O ATOM 0 H SER A 31 -5.036 7.925 2.995 1.00 0.00 H new ATOM 0 HA SER A 31 -3.096 6.609 1.238 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.898 7.602 3.739 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.221 7.505 2.126 1.00 0.00 H new ATOM 0 HG SER A 31 -1.502 9.700 2.830 1.00 0.00 H new ATOM 479 N LEU A 32 -3.266 4.649 2.719 1.00 0.00 N ATOM 480 CA LEU A 32 -3.461 3.454 3.524 1.00 0.00 C ATOM 481 C LEU A 32 -2.138 3.073 4.191 1.00 0.00 C ATOM 482 O LEU A 32 -1.065 3.375 3.670 1.00 0.00 O ATOM 483 CB LEU A 32 -4.069 2.333 2.679 1.00 0.00 C ATOM 484 CG LEU A 32 -4.498 1.077 3.441 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.695 1.369 4.349 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.777 -0.079 2.479 1.00 0.00 C ATOM 0 H LEU A 32 -2.882 4.479 1.789 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.178 3.645 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.938 2.730 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.343 2.043 1.919 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.674 0.769 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.980 0.460 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.425 2.140 5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.534 1.715 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.080 -0.959 3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.576 0.203 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.875 -0.306 1.911 1.00 0.00 H new ATOM 498 N GLU A 33 -2.257 2.416 5.336 1.00 0.00 N ATOM 499 CA GLU A 33 -1.084 1.990 6.080 1.00 0.00 C ATOM 500 C GLU A 33 -1.140 0.484 6.343 1.00 0.00 C ATOM 501 O GLU A 33 -2.101 -0.012 6.928 1.00 0.00 O ATOM 502 CB GLU A 33 -0.952 2.771 7.389 1.00 0.00 C ATOM 503 CG GLU A 33 -0.966 4.279 7.132 1.00 0.00 C ATOM 504 CD GLU A 33 -0.277 5.035 8.270 1.00 0.00 C ATOM 505 OE1 GLU A 33 -0.734 4.867 9.422 1.00 0.00 O ATOM 506 OE2 GLU A 33 0.690 5.765 7.963 1.00 0.00 O ATOM 0 H GLU A 33 -3.148 2.168 5.766 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.200 2.201 5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.770 2.505 8.059 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.025 2.493 7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.463 4.496 6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.995 4.625 7.031 1.00 0.00 H new ATOM 513 N LEU A 34 -0.097 -0.201 5.897 1.00 0.00 N ATOM 514 CA LEU A 34 -0.015 -1.641 6.076 1.00 0.00 C ATOM 515 C LEU A 34 0.864 -1.950 7.290 1.00 0.00 C ATOM 516 O LEU A 34 1.432 -1.043 7.896 1.00 0.00 O ATOM 517 CB LEU A 34 0.458 -2.315 4.787 1.00 0.00 C ATOM 518 CG LEU A 34 -0.609 -2.524 3.709 1.00 0.00 C ATOM 519 CD1 LEU A 34 -0.024 -3.242 2.492 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.826 -3.256 4.277 1.00 0.00 C ATOM 0 H LEU A 34 0.698 0.214 5.412 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.002 -2.056 6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.264 -1.716 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.883 -3.286 5.043 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.951 -1.546 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.802 -3.378 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.785 -2.645 2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.362 -4.215 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.569 -3.392 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.519 -4.230 4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.258 -2.669 5.087 1.00 0.00 H new ATOM 532 N ASP A 35 0.949 -3.233 7.608 1.00 0.00 N ATOM 533 CA ASP A 35 1.749 -3.673 8.738 1.00 0.00 C ATOM 534 C ASP A 35 3.181 -3.940 8.270 1.00 0.00 C ATOM 535 O ASP A 35 3.406 -4.280 7.110 1.00 0.00 O ATOM 536 CB ASP A 35 1.196 -4.970 9.332 1.00 0.00 C ATOM 537 CG ASP A 35 0.766 -6.020 8.306 1.00 0.00 C ATOM 538 OD1 ASP A 35 -0.066 -5.663 7.444 1.00 0.00 O ATOM 539 OD2 ASP A 35 1.278 -7.156 8.407 1.00 0.00 O ATOM 0 H ASP A 35 0.477 -3.983 7.102 1.00 0.00 H new ATOM 0 HA ASP A 35 1.723 -2.890 9.495 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.955 -5.407 9.981 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.340 -4.727 9.962 1.00 0.00 H new ATOM 544 N PRO A 36 4.137 -3.771 9.223 1.00 0.00 N ATOM 545 CA PRO A 36 5.541 -3.990 8.920 1.00 0.00 C ATOM 546 C PRO A 36 5.855 -5.484 8.821 1.00 0.00 C ATOM 547 O PRO A 36 5.645 -6.231 9.776 1.00 0.00 O ATOM 548 CB PRO A 36 6.298 -3.297 10.042 1.00 0.00 C ATOM 549 CG PRO A 36 5.297 -3.118 11.171 1.00 0.00 C ATOM 550 CD PRO A 36 3.908 -3.369 10.607 1.00 0.00 C ATOM 0 HA PRO A 36 5.830 -3.583 7.951 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.150 -3.895 10.366 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.691 -2.335 9.712 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.510 -3.812 11.984 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.365 -2.112 11.585 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.389 -4.148 11.165 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.290 -2.473 10.662 1.00 0.00 H new ATOM 558 N CYS A 37 6.352 -5.876 7.657 1.00 0.00 N ATOM 559 CA CYS A 37 6.696 -7.267 7.421 1.00 0.00 C ATOM 560 C CYS A 37 8.131 -7.496 7.901 1.00 0.00 C ATOM 561 O CYS A 37 8.792 -6.564 8.359 1.00 0.00 O ATOM 562 CB CYS A 37 6.518 -7.653 5.951 1.00 0.00 C ATOM 563 SG CYS A 37 4.884 -7.090 5.350 1.00 0.00 S ATOM 0 H CYS A 37 6.525 -5.254 6.867 1.00 0.00 H new ATOM 0 HA CYS A 37 6.019 -7.911 7.982 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.310 -7.205 5.350 1.00 0.00 H new ATOM 0 HB3 CYS A 37 6.604 -8.734 5.837 1.00 0.00 H new ATOM 0 HG CYS A 37 4.560 -7.758 4.283 1.00 0.00 H new ATOM 569 N THR A 38 8.571 -8.739 7.779 1.00 0.00 N ATOM 570 CA THR A 38 9.916 -9.101 8.194 1.00 0.00 C ATOM 571 C THR A 38 10.917 -8.809 7.075 1.00 0.00 C ATOM 572 O THR A 38 12.106 -8.629 7.332 1.00 0.00 O ATOM 573 CB THR A 38 9.898 -10.569 8.625 1.00 0.00 C ATOM 574 OG1 THR A 38 9.894 -11.292 7.397 1.00 0.00 O ATOM 575 CG2 THR A 38 8.581 -10.967 9.296 1.00 0.00 C ATOM 0 H THR A 38 8.020 -9.509 7.399 1.00 0.00 H new ATOM 0 HA THR A 38 10.243 -8.501 9.043 1.00 0.00 H new ATOM 0 HB THR A 38 10.725 -10.756 9.310 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.884 -12.254 7.584 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.621 -12.018 9.582 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.426 -10.355 10.184 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.757 -10.812 8.600 1.00 0.00 H new ATOM 583 N GLY A 39 10.398 -8.770 5.856 1.00 0.00 N ATOM 584 CA GLY A 39 11.232 -8.502 4.697 1.00 0.00 C ATOM 585 C GLY A 39 10.704 -9.234 3.461 1.00 0.00 C ATOM 586 O GLY A 39 10.246 -8.603 2.510 1.00 0.00 O ATOM 0 H GLY A 39 9.411 -8.919 5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.260 -7.429 4.505 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.256 -8.816 4.901 1.00 0.00 H new ATOM 590 N PHE A 40 10.787 -10.555 3.516 1.00 0.00 N ATOM 591 CA PHE A 40 10.323 -11.380 2.413 1.00 0.00 C ATOM 592 C PHE A 40 8.983 -10.874 1.875 1.00 0.00 C ATOM 593 O PHE A 40 8.892 -10.452 0.723 1.00 0.00 O ATOM 594 CB PHE A 40 10.137 -12.796 2.961 1.00 0.00 C ATOM 595 CG PHE A 40 9.902 -13.855 1.882 1.00 0.00 C ATOM 596 CD1 PHE A 40 10.865 -14.109 0.956 1.00 0.00 C ATOM 597 CD2 PHE A 40 8.729 -14.543 1.849 1.00 0.00 C ATOM 598 CE1 PHE A 40 10.647 -15.092 -0.045 1.00 0.00 C ATOM 599 CE2 PHE A 40 8.510 -15.526 0.848 1.00 0.00 C ATOM 600 CZ PHE A 40 9.474 -15.780 -0.078 1.00 0.00 C ATOM 0 H PHE A 40 11.168 -11.075 4.307 1.00 0.00 H new ATOM 0 HA PHE A 40 11.046 -11.351 1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.020 -13.070 3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.292 -12.800 3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.796 -13.563 0.982 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.964 -14.342 2.584 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.412 -15.293 -0.780 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.578 -16.072 0.822 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.308 -16.528 -0.839 1.00 0.00 H new ATOM 610 N GLN A 41 7.977 -10.933 2.735 1.00 0.00 N ATOM 611 CA GLN A 41 6.646 -10.486 2.360 1.00 0.00 C ATOM 612 C GLN A 41 6.709 -9.082 1.753 1.00 0.00 C ATOM 613 O GLN A 41 6.091 -8.820 0.723 1.00 0.00 O ATOM 614 CB GLN A 41 5.698 -10.522 3.560 1.00 0.00 C ATOM 615 CG GLN A 41 5.245 -11.953 3.858 1.00 0.00 C ATOM 616 CD GLN A 41 4.156 -12.398 2.879 1.00 0.00 C ATOM 617 OE1 GLN A 41 3.848 -11.729 1.906 1.00 0.00 O ATOM 618 NE2 GLN A 41 3.593 -13.562 3.189 1.00 0.00 N ATOM 0 H GLN A 41 8.057 -11.283 3.690 1.00 0.00 H new ATOM 0 HA GLN A 41 6.253 -11.169 1.607 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.197 -10.105 4.435 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.829 -9.896 3.360 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.097 -12.629 3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.868 -12.014 4.879 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.898 -14.071 4.018 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.856 -13.946 2.597 1.00 0.00 H new ATOM 627 N ARG A 42 7.461 -8.218 2.418 1.00 0.00 N ATOM 628 CA ARG A 42 7.612 -6.848 1.957 1.00 0.00 C ATOM 629 C ARG A 42 7.851 -6.820 0.446 1.00 0.00 C ATOM 630 O ARG A 42 7.213 -6.051 -0.272 1.00 0.00 O ATOM 631 CB ARG A 42 8.779 -6.155 2.664 1.00 0.00 C ATOM 632 CG ARG A 42 8.543 -4.647 2.762 1.00 0.00 C ATOM 633 CD ARG A 42 9.741 -3.945 3.405 1.00 0.00 C ATOM 634 NE ARG A 42 9.702 -4.122 4.874 1.00 0.00 N ATOM 635 CZ ARG A 42 10.393 -3.368 5.740 1.00 0.00 C ATOM 636 NH1 ARG A 42 11.181 -2.382 5.290 1.00 0.00 N ATOM 637 NH2 ARG A 42 10.296 -3.600 7.056 1.00 0.00 N ATOM 0 H ARG A 42 7.972 -8.440 3.272 1.00 0.00 H new ATOM 0 HA ARG A 42 6.691 -6.315 2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.903 -6.573 3.663 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.704 -6.347 2.121 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.368 -4.237 1.767 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.645 -4.453 3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.670 -4.353 3.006 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.727 -2.884 3.158 1.00 0.00 H new ATOM 0 HE ARG A 42 9.112 -4.864 5.251 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.255 -2.205 4.288 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.707 -1.808 5.949 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.696 -4.351 7.399 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.822 -3.026 7.715 1.00 0.00 H new ATOM 651 N LYS A 43 8.770 -7.668 0.008 1.00 0.00 N ATOM 652 CA LYS A 43 9.100 -7.750 -1.404 1.00 0.00 C ATOM 653 C LYS A 43 7.902 -8.312 -2.172 1.00 0.00 C ATOM 654 O LYS A 43 7.644 -7.913 -3.306 1.00 0.00 O ATOM 655 CB LYS A 43 10.390 -8.547 -1.608 1.00 0.00 C ATOM 656 CG LYS A 43 11.483 -8.075 -0.647 1.00 0.00 C ATOM 657 CD LYS A 43 12.061 -9.250 0.145 1.00 0.00 C ATOM 658 CE LYS A 43 13.450 -9.629 -0.371 1.00 0.00 C ATOM 659 NZ LYS A 43 13.510 -11.075 -0.684 1.00 0.00 N ATOM 0 H LYS A 43 9.296 -8.304 0.607 1.00 0.00 H new ATOM 0 HA LYS A 43 9.300 -6.757 -1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.195 -9.608 -1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.732 -8.435 -2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.278 -7.584 -1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.073 -7.335 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.121 -8.987 1.201 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.394 -10.108 0.068 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.684 -9.048 -1.263 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.203 -9.381 0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.460 -11.316 -1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.307 -11.625 0.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.805 -11.302 -1.414 1.00 0.00 H new ATOM 673 N LEU A 44 7.201 -9.230 -1.522 1.00 0.00 N ATOM 674 CA LEU A 44 6.037 -9.852 -2.129 1.00 0.00 C ATOM 675 C LEU A 44 4.987 -8.778 -2.425 1.00 0.00 C ATOM 676 O LEU A 44 4.374 -8.782 -3.491 1.00 0.00 O ATOM 677 CB LEU A 44 5.519 -10.992 -1.251 1.00 0.00 C ATOM 678 CG LEU A 44 6.543 -12.062 -0.868 1.00 0.00 C ATOM 679 CD1 LEU A 44 5.873 -13.225 -0.133 1.00 0.00 C ATOM 680 CD2 LEU A 44 7.326 -12.535 -2.095 1.00 0.00 C ATOM 0 H LEU A 44 7.417 -9.558 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 44 6.303 -10.310 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.112 -10.563 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.693 -11.477 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 44 7.261 -11.617 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.623 -13.971 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.398 -12.856 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.120 -13.678 -0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.047 -13.295 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.636 -12.957 -2.826 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.853 -11.690 -2.538 1.00 0.00 H new ATOM 692 N ILE A 45 4.814 -7.885 -1.462 1.00 0.00 N ATOM 693 CA ILE A 45 3.849 -6.808 -1.606 1.00 0.00 C ATOM 694 C ILE A 45 4.227 -5.948 -2.814 1.00 0.00 C ATOM 695 O ILE A 45 3.387 -5.669 -3.669 1.00 0.00 O ATOM 696 CB ILE A 45 3.731 -6.016 -0.302 1.00 0.00 C ATOM 697 CG1 ILE A 45 3.245 -6.911 0.840 1.00 0.00 C ATOM 698 CG2 ILE A 45 2.839 -4.787 -0.485 1.00 0.00 C ATOM 699 CD1 ILE A 45 3.409 -6.213 2.192 1.00 0.00 C ATOM 0 H ILE A 45 5.325 -7.885 -0.579 1.00 0.00 H new ATOM 0 HA ILE A 45 2.855 -7.211 -1.799 1.00 0.00 H new ATOM 0 HB ILE A 45 4.723 -5.656 -0.030 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.197 -7.168 0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.806 -7.845 0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.772 -4.242 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.266 -4.138 -1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.842 -5.103 -0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.056 -6.871 2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.461 -5.979 2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.827 -5.291 2.199 1.00 0.00 H new ATOM 711 N TYR A 46 5.491 -5.553 -2.847 1.00 0.00 N ATOM 712 CA TYR A 46 5.990 -4.731 -3.936 1.00 0.00 C ATOM 713 C TYR A 46 5.851 -5.455 -5.277 1.00 0.00 C ATOM 714 O TYR A 46 5.330 -4.892 -6.239 1.00 0.00 O ATOM 715 CB TYR A 46 7.475 -4.503 -3.646 1.00 0.00 C ATOM 716 CG TYR A 46 7.742 -3.518 -2.506 1.00 0.00 C ATOM 717 CD1 TYR A 46 6.972 -2.378 -2.384 1.00 0.00 C ATOM 718 CD2 TYR A 46 8.751 -3.768 -1.600 1.00 0.00 C ATOM 719 CE1 TYR A 46 7.223 -1.451 -1.311 1.00 0.00 C ATOM 720 CE2 TYR A 46 9.002 -2.841 -0.527 1.00 0.00 C ATOM 721 CZ TYR A 46 8.225 -1.728 -0.436 1.00 0.00 C ATOM 722 OH TYR A 46 8.462 -0.853 0.578 1.00 0.00 O ATOM 0 H TYR A 46 6.185 -5.787 -2.137 1.00 0.00 H new ATOM 0 HA TYR A 46 5.428 -3.799 -4.002 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.938 -5.459 -3.402 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.959 -4.136 -4.551 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.182 -2.182 -3.093 1.00 0.00 H new ATOM 0 HD2 TYR A 46 9.353 -4.659 -1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.628 -0.556 -1.204 1.00 0.00 H new ATOM 0 HE2 TYR A 46 9.789 -3.025 0.189 1.00 0.00 H new ATOM 0 HH TYR A 46 8.040 -1.182 1.399 1.00 0.00 H new ATOM 732 N GLN A 47 6.325 -6.692 -5.298 1.00 0.00 N ATOM 733 CA GLN A 47 6.260 -7.498 -6.505 1.00 0.00 C ATOM 734 C GLN A 47 4.845 -7.469 -7.087 1.00 0.00 C ATOM 735 O GLN A 47 4.659 -7.153 -8.261 1.00 0.00 O ATOM 736 CB GLN A 47 6.710 -8.934 -6.230 1.00 0.00 C ATOM 737 CG GLN A 47 8.084 -9.206 -6.846 1.00 0.00 C ATOM 738 CD GLN A 47 7.956 -9.614 -8.314 1.00 0.00 C ATOM 739 OE1 GLN A 47 7.330 -10.604 -8.658 1.00 0.00 O ATOM 740 NE2 GLN A 47 8.582 -8.800 -9.159 1.00 0.00 N ATOM 0 H GLN A 47 6.756 -7.156 -4.498 1.00 0.00 H new ATOM 0 HA GLN A 47 6.943 -7.072 -7.240 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.749 -9.107 -5.155 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.980 -9.632 -6.639 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.705 -8.314 -6.766 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.587 -9.996 -6.288 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.088 -7.988 -8.805 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.556 -8.987 -10.161 1.00 0.00 H new ATOM 749 N THR A 48 3.883 -7.803 -6.239 1.00 0.00 N ATOM 750 CA THR A 48 2.491 -7.819 -6.654 1.00 0.00 C ATOM 751 C THR A 48 2.072 -6.440 -7.168 1.00 0.00 C ATOM 752 O THR A 48 1.782 -6.276 -8.352 1.00 0.00 O ATOM 753 CB THR A 48 1.651 -8.308 -5.473 1.00 0.00 C ATOM 754 OG1 THR A 48 1.844 -9.720 -5.471 1.00 0.00 O ATOM 755 CG2 THR A 48 0.149 -8.137 -5.712 1.00 0.00 C ATOM 0 H THR A 48 4.041 -8.065 -5.266 1.00 0.00 H new ATOM 0 HA THR A 48 2.335 -8.503 -7.488 1.00 0.00 H new ATOM 0 HB THR A 48 1.939 -7.765 -4.573 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.621 -9.943 -4.917 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.401 -8.499 -4.844 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.077 -7.082 -5.870 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.147 -8.707 -6.593 1.00 0.00 H new ATOM 763 N LEU A 49 2.053 -5.483 -6.251 1.00 0.00 N ATOM 764 CA LEU A 49 1.674 -4.123 -6.597 1.00 0.00 C ATOM 765 C LEU A 49 2.436 -3.689 -7.851 1.00 0.00 C ATOM 766 O LEU A 49 1.988 -2.805 -8.578 1.00 0.00 O ATOM 767 CB LEU A 49 1.876 -3.191 -5.401 1.00 0.00 C ATOM 768 CG LEU A 49 1.143 -3.580 -4.116 1.00 0.00 C ATOM 769 CD1 LEU A 49 1.457 -2.597 -2.986 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.362 -3.711 -4.360 1.00 0.00 C ATOM 0 H LEU A 49 2.294 -5.622 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 49 0.612 -4.072 -6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.943 -3.136 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.557 -2.189 -5.689 1.00 0.00 H new ATOM 0 HG LEU A 49 1.504 -4.559 -3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.923 -2.897 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.529 -2.598 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.142 -1.595 -3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.859 -3.988 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.758 -2.759 -4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.543 -4.480 -5.111 1.00 0.00 H new ATOM 782 N SER A 50 3.575 -4.332 -8.064 1.00 0.00 N ATOM 783 CA SER A 50 4.403 -4.023 -9.217 1.00 0.00 C ATOM 784 C SER A 50 3.568 -4.100 -10.497 1.00 0.00 C ATOM 785 O SER A 50 3.682 -3.241 -11.370 1.00 0.00 O ATOM 786 CB SER A 50 5.600 -4.972 -9.306 1.00 0.00 C ATOM 787 OG SER A 50 6.736 -4.346 -9.896 1.00 0.00 O ATOM 0 H SER A 50 3.943 -5.065 -7.458 1.00 0.00 H new ATOM 0 HA SER A 50 4.786 -3.009 -9.101 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.858 -5.324 -8.307 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.324 -5.849 -9.892 1.00 0.00 H new ATOM 0 HG SER A 50 7.479 -4.984 -9.933 1.00 0.00 H new ATOM 793 N TRP A 51 2.748 -5.138 -10.569 1.00 0.00 N ATOM 794 CA TRP A 51 1.894 -5.339 -11.727 1.00 0.00 C ATOM 795 C TRP A 51 0.447 -5.095 -11.296 1.00 0.00 C ATOM 796 O TRP A 51 -0.371 -4.631 -12.089 1.00 0.00 O ATOM 797 CB TRP A 51 2.111 -6.726 -12.335 1.00 0.00 C ATOM 798 CG TRP A 51 2.050 -7.867 -11.317 1.00 0.00 C ATOM 799 CD1 TRP A 51 3.072 -8.492 -10.716 1.00 0.00 C ATOM 800 CD2 TRP A 51 0.858 -8.499 -10.804 1.00 0.00 C ATOM 801 NE1 TRP A 51 2.628 -9.475 -9.856 1.00 0.00 N ATOM 802 CE2 TRP A 51 1.239 -9.480 -9.911 1.00 0.00 C ATOM 803 CE3 TRP A 51 -0.496 -8.249 -11.085 1.00 0.00 C ATOM 804 CZ2 TRP A 51 0.325 -10.289 -9.226 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -1.397 -9.067 -10.392 1.00 0.00 C ATOM 806 CH2 TRP A 51 -1.031 -10.059 -9.490 1.00 0.00 C ATOM 0 H TRP A 51 2.657 -5.849 -9.844 1.00 0.00 H new ATOM 0 HA TRP A 51 2.145 -4.632 -12.518 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.357 -6.897 -13.103 1.00 0.00 H new ATOM 0 HB3 TRP A 51 3.081 -6.747 -12.831 1.00 0.00 H new ATOM 0 HD1 TRP A 51 4.112 -8.256 -10.884 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.212 -10.086 -9.285 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.816 -7.487 -11.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.648 -11.050 -8.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.451 -8.916 -10.571 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.788 -10.649 -8.995 1.00 0.00 H new ATOM 817 N LYS A 52 0.174 -5.419 -10.040 1.00 0.00 N ATOM 818 CA LYS A 52 -1.160 -5.241 -9.494 1.00 0.00 C ATOM 819 C LYS A 52 -1.558 -3.767 -9.603 1.00 0.00 C ATOM 820 O LYS A 52 -2.614 -3.444 -10.147 1.00 0.00 O ATOM 821 CB LYS A 52 -1.234 -5.794 -8.070 1.00 0.00 C ATOM 822 CG LYS A 52 -1.823 -7.207 -8.061 1.00 0.00 C ATOM 823 CD LYS A 52 -2.831 -7.373 -6.922 1.00 0.00 C ATOM 824 CE LYS A 52 -2.808 -8.801 -6.373 1.00 0.00 C ATOM 825 NZ LYS A 52 -4.139 -9.432 -6.514 1.00 0.00 N ATOM 0 H LYS A 52 0.855 -5.804 -9.385 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.887 -5.812 -10.071 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.237 -5.809 -7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.846 -5.137 -7.452 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.310 -7.408 -9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.022 -7.938 -7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.601 -6.669 -6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.832 -7.133 -7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.062 -9.390 -6.906 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.514 -8.789 -5.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.219 -10.225 -5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.879 -8.731 -6.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.255 -9.784 -7.486 1.00 0.00 H new ATOM 839 N TYR A 53 -0.693 -2.913 -9.077 1.00 0.00 N ATOM 840 CA TYR A 53 -0.941 -1.482 -9.108 1.00 0.00 C ATOM 841 C TYR A 53 0.344 -0.709 -9.407 1.00 0.00 C ATOM 842 O TYR A 53 0.939 -0.115 -8.509 1.00 0.00 O ATOM 843 CB TYR A 53 -1.433 -1.109 -7.708 1.00 0.00 C ATOM 844 CG TYR A 53 -2.708 -1.838 -7.280 1.00 0.00 C ATOM 845 CD1 TYR A 53 -3.943 -1.292 -7.565 1.00 0.00 C ATOM 846 CD2 TYR A 53 -2.623 -3.042 -6.611 1.00 0.00 C ATOM 847 CE1 TYR A 53 -5.143 -1.978 -7.163 1.00 0.00 C ATOM 848 CE2 TYR A 53 -3.824 -3.728 -6.209 1.00 0.00 C ATOM 849 CZ TYR A 53 -5.024 -3.163 -6.505 1.00 0.00 C ATOM 850 OH TYR A 53 -6.158 -3.811 -6.125 1.00 0.00 O ATOM 0 H TYR A 53 0.181 -3.185 -8.627 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.664 -1.235 -9.885 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.644 -1.325 -6.988 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.612 -0.034 -7.672 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.009 -0.350 -8.090 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.656 -3.470 -6.389 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.116 -1.561 -7.379 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.772 -4.670 -5.684 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.921 -4.644 -5.666 1.00 0.00 H new ATOM 860 N PRO A 54 0.746 -0.742 -10.706 1.00 0.00 N ATOM 861 CA PRO A 54 1.950 -0.051 -11.135 1.00 0.00 C ATOM 862 C PRO A 54 1.719 1.459 -11.209 1.00 0.00 C ATOM 863 O PRO A 54 2.563 2.242 -10.774 1.00 0.00 O ATOM 864 CB PRO A 54 2.297 -0.666 -12.481 1.00 0.00 C ATOM 865 CG PRO A 54 1.027 -1.342 -12.971 1.00 0.00 C ATOM 866 CD PRO A 54 0.066 -1.435 -11.797 1.00 0.00 C ATOM 0 HA PRO A 54 2.776 -0.169 -10.433 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.630 0.097 -13.185 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.110 -1.386 -12.384 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.581 -0.771 -13.785 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.249 -2.335 -13.362 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.890 -0.966 -12.030 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.143 -2.473 -11.538 1.00 0.00 H new ATOM 874 N LYS A 55 0.572 1.824 -11.762 1.00 0.00 N ATOM 875 CA LYS A 55 0.220 3.227 -11.898 1.00 0.00 C ATOM 876 C LYS A 55 -1.194 3.448 -11.356 1.00 0.00 C ATOM 877 O LYS A 55 -2.151 2.850 -11.845 1.00 0.00 O ATOM 878 CB LYS A 55 0.402 3.687 -13.346 1.00 0.00 C ATOM 879 CG LYS A 55 -0.496 2.887 -14.293 1.00 0.00 C ATOM 880 CD LYS A 55 0.315 2.297 -15.449 1.00 0.00 C ATOM 881 CE LYS A 55 -0.149 0.876 -15.774 1.00 0.00 C ATOM 882 NZ LYS A 55 -0.822 0.839 -17.091 1.00 0.00 N ATOM 0 H LYS A 55 -0.126 1.172 -12.121 1.00 0.00 H new ATOM 0 HA LYS A 55 0.891 3.848 -11.304 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.167 4.748 -13.426 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.445 3.568 -13.641 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.988 2.085 -13.743 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.281 3.532 -14.687 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.210 2.928 -16.331 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.373 2.287 -15.188 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.706 0.200 -15.777 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.831 0.524 -15.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.131 -0.133 -17.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.649 1.469 -17.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.160 1.155 -17.828 1.00 0.00 H new ATOM 896 N GLY A 56 -1.280 4.309 -10.352 1.00 0.00 N ATOM 897 CA GLY A 56 -2.560 4.617 -9.738 1.00 0.00 C ATOM 898 C GLY A 56 -2.396 4.909 -8.245 1.00 0.00 C ATOM 899 O GLY A 56 -3.109 5.744 -7.690 1.00 0.00 O ATOM 0 H GLY A 56 -0.484 4.803 -9.949 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.007 5.479 -10.234 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.244 3.780 -9.875 1.00 0.00 H new ATOM 903 N ILE A 57 -1.453 4.205 -7.637 1.00 0.00 N ATOM 904 CA ILE A 57 -1.186 4.378 -6.220 1.00 0.00 C ATOM 905 C ILE A 57 0.313 4.603 -6.011 1.00 0.00 C ATOM 906 O ILE A 57 1.114 4.339 -6.906 1.00 0.00 O ATOM 907 CB ILE A 57 -1.748 3.200 -5.421 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.454 1.872 -6.122 1.00 0.00 C ATOM 909 CG2 ILE A 57 -3.242 3.385 -5.148 1.00 0.00 C ATOM 910 CD1 ILE A 57 0.046 1.705 -6.374 1.00 0.00 C ATOM 0 H ILE A 57 -0.864 3.513 -8.100 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.697 5.263 -5.842 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.245 3.173 -4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.818 1.046 -5.511 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.992 1.830 -7.069 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.616 2.534 -4.579 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.397 4.300 -4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.779 3.453 -6.094 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.227 0.753 -6.873 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.402 2.519 -7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.579 1.723 -5.423 1.00 0.00 H new ATOM 922 N HIS A 58 0.646 5.088 -4.824 1.00 0.00 N ATOM 923 CA HIS A 58 2.034 5.352 -4.486 1.00 0.00 C ATOM 924 C HIS A 58 2.393 4.628 -3.187 1.00 0.00 C ATOM 925 O HIS A 58 1.888 4.974 -2.120 1.00 0.00 O ATOM 926 CB HIS A 58 2.301 6.857 -4.420 1.00 0.00 C ATOM 927 CG HIS A 58 3.501 7.232 -3.584 1.00 0.00 C ATOM 928 ND1 HIS A 58 4.656 7.766 -4.128 1.00 0.00 N ATOM 929 CD2 HIS A 58 3.713 7.145 -2.239 1.00 0.00 C ATOM 930 CE1 HIS A 58 5.518 7.986 -3.146 1.00 0.00 C ATOM 931 NE2 HIS A 58 4.932 7.600 -1.976 1.00 0.00 N ATOM 0 H HIS A 58 -0.022 5.305 -4.084 1.00 0.00 H new ATOM 0 HA HIS A 58 2.683 4.961 -5.270 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.444 7.235 -5.432 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.420 7.355 -4.016 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.008 6.770 -1.512 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.510 8.399 -3.253 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.360 7.652 -1.052 1.00 0.00 H new ATOM 939 N VAL A 59 3.262 3.637 -3.319 1.00 0.00 N ATOM 940 CA VAL A 59 3.694 2.862 -2.169 1.00 0.00 C ATOM 941 C VAL A 59 4.994 3.453 -1.619 1.00 0.00 C ATOM 942 O VAL A 59 5.913 3.754 -2.379 1.00 0.00 O ATOM 943 CB VAL A 59 3.824 1.386 -2.552 1.00 0.00 C ATOM 944 CG1 VAL A 59 4.139 0.527 -1.325 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.561 0.890 -3.259 1.00 0.00 C ATOM 0 H VAL A 59 3.679 3.353 -4.206 1.00 0.00 H new ATOM 0 HA VAL A 59 2.951 2.914 -1.373 1.00 0.00 H new ATOM 0 HB VAL A 59 4.657 1.293 -3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.226 -0.517 -1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.078 0.857 -0.881 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.337 0.629 -0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.680 -0.162 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.704 1.005 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.399 1.473 -4.165 1.00 0.00 H new ATOM 955 N GLU A 60 5.028 3.603 -0.304 1.00 0.00 N ATOM 956 CA GLU A 60 6.200 4.154 0.357 1.00 0.00 C ATOM 957 C GLU A 60 6.430 3.456 1.699 1.00 0.00 C ATOM 958 O GLU A 60 5.477 3.070 2.373 1.00 0.00 O ATOM 959 CB GLU A 60 6.065 5.666 0.541 1.00 0.00 C ATOM 960 CG GLU A 60 4.703 6.027 1.138 1.00 0.00 C ATOM 961 CD GLU A 60 4.244 7.407 0.664 1.00 0.00 C ATOM 962 OE1 GLU A 60 5.135 8.252 0.431 1.00 0.00 O ATOM 963 OE2 GLU A 60 3.013 7.585 0.544 1.00 0.00 O ATOM 0 H GLU A 60 4.263 3.353 0.323 1.00 0.00 H new ATOM 0 HA GLU A 60 7.069 3.975 -0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.859 6.029 1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.189 6.165 -0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.966 5.277 0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.764 6.014 2.226 1.00 0.00 H new ATOM 970 N THR A 61 7.701 3.314 2.045 1.00 0.00 N ATOM 971 CA THR A 61 8.068 2.670 3.295 1.00 0.00 C ATOM 972 C THR A 61 8.457 3.716 4.341 1.00 0.00 C ATOM 973 O THR A 61 9.533 4.307 4.263 1.00 0.00 O ATOM 974 CB THR A 61 9.183 1.664 2.998 1.00 0.00 C ATOM 975 OG1 THR A 61 8.491 0.497 2.562 1.00 0.00 O ATOM 976 CG2 THR A 61 9.916 1.212 4.263 1.00 0.00 C ATOM 0 H THR A 61 8.489 3.634 1.482 1.00 0.00 H new ATOM 0 HA THR A 61 7.225 2.127 3.723 1.00 0.00 H new ATOM 0 HB THR A 61 9.897 2.108 2.304 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.768 0.275 1.648 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.696 0.499 3.996 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.366 2.076 4.752 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.209 0.738 4.943 1.00 0.00 H new ATOM 984 N LEU A 62 7.560 3.914 5.295 1.00 0.00 N ATOM 985 CA LEU A 62 7.795 4.879 6.356 1.00 0.00 C ATOM 986 C LEU A 62 8.186 4.138 7.636 1.00 0.00 C ATOM 987 O LEU A 62 7.653 3.068 7.925 1.00 0.00 O ATOM 988 CB LEU A 62 6.584 5.798 6.523 1.00 0.00 C ATOM 989 CG LEU A 62 5.945 6.308 5.229 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.592 6.965 5.507 1.00 0.00 C ATOM 991 CD2 LEU A 62 6.895 7.246 4.482 1.00 0.00 C ATOM 0 H LEU A 62 6.668 3.422 5.356 1.00 0.00 H new ATOM 0 HA LEU A 62 8.628 5.533 6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.824 5.265 7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.886 6.659 7.120 1.00 0.00 H new ATOM 0 HG LEU A 62 5.759 5.453 4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.160 7.318 4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.921 6.238 5.964 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.729 7.808 6.184 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.417 7.594 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.134 8.101 5.114 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.812 6.712 4.232 1.00 0.00 H new ATOM 1003 N GLU A 63 9.113 4.737 8.369 1.00 0.00 N ATOM 1004 CA GLU A 63 9.581 4.148 9.612 1.00 0.00 C ATOM 1005 C GLU A 63 9.413 5.138 10.766 1.00 0.00 C ATOM 1006 O GLU A 63 9.829 6.291 10.665 1.00 0.00 O ATOM 1007 CB GLU A 63 11.036 3.692 9.489 1.00 0.00 C ATOM 1008 CG GLU A 63 11.579 3.220 10.839 1.00 0.00 C ATOM 1009 CD GLU A 63 12.818 4.022 11.243 1.00 0.00 C ATOM 1010 OE1 GLU A 63 12.706 5.267 11.261 1.00 0.00 O ATOM 1011 OE2 GLU A 63 13.848 3.372 11.524 1.00 0.00 O ATOM 0 H GLU A 63 9.553 5.625 8.126 1.00 0.00 H new ATOM 0 HA GLU A 63 8.975 3.267 9.824 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.107 2.883 8.762 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.648 4.513 9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.808 3.326 11.602 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.829 2.161 10.784 1.00 0.00 H new ATOM 1018 N THR A 64 8.802 4.652 11.837 1.00 0.00 N ATOM 1019 CA THR A 64 8.573 5.480 13.008 1.00 0.00 C ATOM 1020 C THR A 64 9.263 4.874 14.232 1.00 0.00 C ATOM 1021 O THR A 64 10.329 4.272 14.114 1.00 0.00 O ATOM 1022 CB THR A 64 7.063 5.646 13.183 1.00 0.00 C ATOM 1023 OG1 THR A 64 6.612 4.349 13.564 1.00 0.00 O ATOM 1024 CG2 THR A 64 6.346 5.915 11.858 1.00 0.00 C ATOM 0 H THR A 64 8.459 3.695 11.918 1.00 0.00 H new ATOM 0 HA THR A 64 9.011 6.470 12.883 1.00 0.00 H new ATOM 0 HB THR A 64 6.866 6.465 13.875 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.378 4.351 14.516 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.277 6.025 12.039 1.00 0.00 H new ATOM 0 HG22 THR A 64 6.735 6.831 11.413 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.515 5.081 11.177 1.00 0.00 H new ATOM 1032 N ASP A 65 8.627 5.055 15.380 1.00 0.00 N ATOM 1033 CA ASP A 65 9.166 4.534 16.625 1.00 0.00 C ATOM 1034 C ASP A 65 8.583 3.143 16.885 1.00 0.00 C ATOM 1035 O ASP A 65 9.316 2.156 16.925 1.00 0.00 O ATOM 1036 CB ASP A 65 8.792 5.431 17.806 1.00 0.00 C ATOM 1037 CG ASP A 65 9.928 5.709 18.792 1.00 0.00 C ATOM 1038 OD1 ASP A 65 10.992 5.073 18.626 1.00 0.00 O ATOM 1039 OD2 ASP A 65 9.707 6.550 19.690 1.00 0.00 O ATOM 0 H ASP A 65 7.743 5.555 15.474 1.00 0.00 H new ATOM 0 HA ASP A 65 10.251 4.495 16.532 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.426 6.382 17.419 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.967 4.968 18.347 1.00 0.00 H new ATOM 1044 N LYS A 66 7.270 3.109 17.056 1.00 0.00 N ATOM 1045 CA LYS A 66 6.580 1.856 17.311 1.00 0.00 C ATOM 1046 C LYS A 66 6.111 1.258 15.984 1.00 0.00 C ATOM 1047 O LYS A 66 6.193 0.047 15.781 1.00 0.00 O ATOM 1048 CB LYS A 66 5.454 2.061 18.326 1.00 0.00 C ATOM 1049 CG LYS A 66 4.314 2.884 17.721 1.00 0.00 C ATOM 1050 CD LYS A 66 3.166 3.046 18.719 1.00 0.00 C ATOM 1051 CE LYS A 66 1.924 2.283 18.253 1.00 0.00 C ATOM 1052 NZ LYS A 66 0.699 3.066 18.533 1.00 0.00 N ATOM 0 H LYS A 66 6.665 3.930 17.023 1.00 0.00 H new ATOM 0 HA LYS A 66 7.258 1.133 17.765 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.074 1.093 18.654 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.843 2.567 19.210 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.686 3.865 17.426 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.949 2.397 16.817 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.476 2.681 19.698 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.926 4.103 18.835 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.995 2.078 17.185 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.871 1.319 18.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.134 2.534 18.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.624 3.240 19.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.745 3.975 18.030 1.00 0.00 H new ATOM 1066 N LYS A 67 5.629 2.133 15.114 1.00 0.00 N ATOM 1067 CA LYS A 67 5.146 1.707 13.812 1.00 0.00 C ATOM 1068 C LYS A 67 6.274 0.994 13.063 1.00 0.00 C ATOM 1069 O LYS A 67 6.067 -0.078 12.496 1.00 0.00 O ATOM 1070 CB LYS A 67 4.552 2.891 13.046 1.00 0.00 C ATOM 1071 CG LYS A 67 3.165 2.549 12.498 1.00 0.00 C ATOM 1072 CD LYS A 67 2.280 3.795 12.428 1.00 0.00 C ATOM 1073 CE LYS A 67 0.980 3.589 13.207 1.00 0.00 C ATOM 1074 NZ LYS A 67 0.047 2.733 12.440 1.00 0.00 N ATOM 0 H LYS A 67 5.563 3.136 15.286 1.00 0.00 H new ATOM 0 HA LYS A 67 4.333 0.990 13.924 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.483 3.757 13.704 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.214 3.166 12.225 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.261 2.110 11.505 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.694 1.799 13.134 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.819 4.651 12.833 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.052 4.025 11.387 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.196 3.129 14.171 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.514 4.553 13.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.831 2.603 12.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.172 3.187 11.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.488 1.807 12.267 1.00 0.00 H new ATOM 1088 N GLU A 68 7.442 1.618 13.085 1.00 0.00 N ATOM 1089 CA GLU A 68 8.603 1.056 12.415 1.00 0.00 C ATOM 1090 C GLU A 68 8.379 1.025 10.902 1.00 0.00 C ATOM 1091 O GLU A 68 7.294 1.351 10.425 1.00 0.00 O ATOM 1092 CB GLU A 68 8.923 -0.341 12.951 1.00 0.00 C ATOM 1093 CG GLU A 68 10.003 -0.278 14.034 1.00 0.00 C ATOM 1094 CD GLU A 68 11.108 -1.302 13.765 1.00 0.00 C ATOM 1095 OE1 GLU A 68 10.832 -2.503 13.974 1.00 0.00 O ATOM 1096 OE2 GLU A 68 12.204 -0.861 13.357 1.00 0.00 O ATOM 0 H GLU A 68 7.610 2.507 13.556 1.00 0.00 H new ATOM 0 HA GLU A 68 9.462 1.694 12.622 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.019 -0.794 13.359 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.259 -0.980 12.134 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.431 0.724 14.068 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.556 -0.467 15.010 1.00 0.00 H new ATOM 1103 N ARG A 69 9.424 0.629 10.190 1.00 0.00 N ATOM 1104 CA ARG A 69 9.355 0.551 8.740 1.00 0.00 C ATOM 1105 C ARG A 69 8.121 -0.245 8.310 1.00 0.00 C ATOM 1106 O ARG A 69 8.147 -1.475 8.291 1.00 0.00 O ATOM 1107 CB ARG A 69 10.608 -0.113 8.164 1.00 0.00 C ATOM 1108 CG ARG A 69 11.242 0.762 7.081 1.00 0.00 C ATOM 1109 CD ARG A 69 12.661 1.179 7.475 1.00 0.00 C ATOM 1110 NE ARG A 69 13.635 0.173 6.997 1.00 0.00 N ATOM 1111 CZ ARG A 69 14.932 0.429 6.776 1.00 0.00 C ATOM 1112 NH1 ARG A 69 15.418 1.660 6.990 1.00 0.00 N ATOM 1113 NH2 ARG A 69 15.743 -0.545 6.342 1.00 0.00 N ATOM 0 H ARG A 69 10.323 0.359 10.590 1.00 0.00 H new ATOM 0 HA ARG A 69 9.288 1.569 8.356 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.329 -0.291 8.962 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.349 -1.086 7.746 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.268 0.217 6.137 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.630 1.649 6.920 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.894 2.154 7.048 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.732 1.280 8.558 1.00 0.00 H new ATOM 0 HE ARG A 69 13.298 -0.774 6.825 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.801 2.402 7.321 1.00 0.00 H new ATOM 0 HH12 ARG A 69 16.405 1.855 6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 69 15.374 -1.482 6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.730 -0.350 6.174 1.00 0.00 H new ATOM 1127 N HIS A 70 7.070 0.489 7.975 1.00 0.00 N ATOM 1128 CA HIS A 70 5.829 -0.133 7.546 1.00 0.00 C ATOM 1129 C HIS A 70 5.447 0.387 6.159 1.00 0.00 C ATOM 1130 O HIS A 70 5.671 1.555 5.847 1.00 0.00 O ATOM 1131 CB HIS A 70 4.726 0.082 8.584 1.00 0.00 C ATOM 1132 CG HIS A 70 4.042 1.424 8.484 1.00 0.00 C ATOM 1133 ND1 HIS A 70 2.734 1.631 8.886 1.00 0.00 N ATOM 1134 CD2 HIS A 70 4.498 2.625 8.025 1.00 0.00 C ATOM 1135 CE1 HIS A 70 2.426 2.902 8.673 1.00 0.00 C ATOM 1136 NE2 HIS A 70 3.521 3.516 8.139 1.00 0.00 N ATOM 0 H HIS A 70 7.052 1.509 7.992 1.00 0.00 H new ATOM 0 HA HIS A 70 5.967 -1.211 7.466 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.979 -0.704 8.474 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.154 -0.023 9.581 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.112 0.925 9.280 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.486 2.818 7.635 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.476 3.369 8.885 1.00 0.00 H new ATOM 1144 N ILE A 71 4.877 -0.507 5.363 1.00 0.00 N ATOM 1145 CA ILE A 71 4.462 -0.152 4.017 1.00 0.00 C ATOM 1146 C ILE A 71 3.253 0.783 4.090 1.00 0.00 C ATOM 1147 O ILE A 71 2.308 0.525 4.834 1.00 0.00 O ATOM 1148 CB ILE A 71 4.215 -1.412 3.184 1.00 0.00 C ATOM 1149 CG1 ILE A 71 5.525 -1.953 2.607 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.173 -1.153 2.094 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.357 -3.394 2.122 1.00 0.00 C ATOM 0 H ILE A 71 4.693 -1.476 5.625 1.00 0.00 H new ATOM 0 HA ILE A 71 5.255 0.392 3.505 1.00 0.00 H new ATOM 0 HB ILE A 71 3.810 -2.182 3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.850 -1.323 1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.306 -1.910 3.366 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.016 -2.064 1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.233 -0.849 2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.527 -0.361 1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.303 -3.754 1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.056 -4.026 2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.593 -3.430 1.346 1.00 0.00 H new ATOM 1163 N VAL A 72 3.323 1.850 3.307 1.00 0.00 N ATOM 1164 CA VAL A 72 2.246 2.825 3.274 1.00 0.00 C ATOM 1165 C VAL A 72 1.864 3.106 1.819 1.00 0.00 C ATOM 1166 O VAL A 72 2.734 3.256 0.963 1.00 0.00 O ATOM 1167 CB VAL A 72 2.658 4.085 4.038 1.00 0.00 C ATOM 1168 CG1 VAL A 72 1.879 5.305 3.542 1.00 0.00 C ATOM 1169 CG2 VAL A 72 2.477 3.895 5.546 1.00 0.00 C ATOM 0 H VAL A 72 4.108 2.060 2.691 1.00 0.00 H new ATOM 0 HA VAL A 72 1.360 2.433 3.773 1.00 0.00 H new ATOM 0 HB VAL A 72 3.716 4.262 3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.190 6.187 4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.079 5.458 2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.812 5.140 3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.777 4.805 6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.430 3.681 5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.095 3.063 5.885 1.00 0.00 H new ATOM 1179 N ILE A 73 0.561 3.169 1.585 1.00 0.00 N ATOM 1180 CA ILE A 73 0.053 3.430 0.249 1.00 0.00 C ATOM 1181 C ILE A 73 -0.606 4.810 0.219 1.00 0.00 C ATOM 1182 O ILE A 73 -1.085 5.296 1.243 1.00 0.00 O ATOM 1183 CB ILE A 73 -0.872 2.297 -0.203 1.00 0.00 C ATOM 1184 CG1 ILE A 73 -0.093 0.993 -0.384 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.639 2.687 -1.467 1.00 0.00 C ATOM 1186 CD1 ILE A 73 0.059 0.255 0.948 1.00 0.00 C ATOM 0 H ILE A 73 -0.158 3.044 2.298 1.00 0.00 H new ATOM 0 HA ILE A 73 0.870 3.451 -0.472 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.610 2.125 0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.608 0.354 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.892 1.208 -0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.289 1.865 -1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.243 3.572 -1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.933 2.902 -2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.616 -0.668 0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.596 0.887 1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.927 0.020 1.348 1.00 0.00 H new ATOM 1198 N SER A 74 -0.609 5.403 -0.966 1.00 0.00 N ATOM 1199 CA SER A 74 -1.201 6.719 -1.143 1.00 0.00 C ATOM 1200 C SER A 74 -2.027 6.752 -2.430 1.00 0.00 C ATOM 1201 O SER A 74 -1.850 5.907 -3.307 1.00 0.00 O ATOM 1202 CB SER A 74 -0.125 7.807 -1.173 1.00 0.00 C ATOM 1203 OG SER A 74 -0.403 8.804 -2.152 1.00 0.00 O ATOM 0 H SER A 74 -0.211 4.997 -1.813 1.00 0.00 H new ATOM 0 HA SER A 74 -1.856 6.917 -0.294 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.053 8.273 -0.190 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.844 7.353 -1.382 1.00 0.00 H new ATOM 0 HG SER A 74 0.305 9.481 -2.139 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.910 7.736 -2.503 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.764 7.891 -3.669 1.00 0.00 C ATOM 1211 C LYS A 75 -3.004 8.655 -4.754 1.00 0.00 C ATOM 1212 O LYS A 75 -2.511 9.756 -4.513 1.00 0.00 O ATOM 1213 CB LYS A 75 -5.094 8.538 -3.277 1.00 0.00 C ATOM 1214 CG LYS A 75 -6.210 7.494 -3.199 1.00 0.00 C ATOM 1215 CD LYS A 75 -7.302 7.930 -2.220 1.00 0.00 C ATOM 1216 CE LYS A 75 -8.576 7.107 -2.418 1.00 0.00 C ATOM 1217 NZ LYS A 75 -9.729 7.994 -2.691 1.00 0.00 N ATOM 0 H LYS A 75 -3.053 8.435 -1.774 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.021 6.917 -4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.990 9.037 -2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.358 9.304 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.642 7.344 -4.188 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.796 6.536 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.945 7.814 -1.197 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.522 8.988 -2.363 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.441 6.411 -3.246 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.772 6.510 -1.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.487 7.447 -3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.080 8.392 -1.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.431 8.766 -3.321 1.00 0.00 H new ATOM 1231 N VAL A 76 -2.933 8.042 -5.926 1.00 0.00 N ATOM 1232 CA VAL A 76 -2.242 8.651 -7.050 1.00 0.00 C ATOM 1233 C VAL A 76 -3.181 8.698 -8.256 1.00 0.00 C ATOM 1234 O VAL A 76 -4.203 8.014 -8.279 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.940 7.899 -7.333 1.00 0.00 C ATOM 1236 CG1 VAL A 76 -0.247 8.453 -8.580 1.00 0.00 C ATOM 1237 CG2 VAL A 76 -0.007 7.941 -6.122 1.00 0.00 C ATOM 0 H VAL A 76 -3.343 7.129 -6.122 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.963 9.679 -6.816 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.191 6.856 -7.525 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.676 7.901 -8.759 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.907 8.346 -9.441 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.016 9.508 -8.430 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.911 7.399 -6.351 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.233 8.977 -5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.499 7.477 -5.267 1.00 0.00 H new ATOM 1247 N ASP A 77 -2.801 9.511 -9.231 1.00 0.00 N ATOM 1248 CA ASP A 77 -3.596 9.655 -10.438 1.00 0.00 C ATOM 1249 C ASP A 77 -2.664 9.778 -11.646 1.00 0.00 C ATOM 1250 O ASP A 77 -1.539 10.259 -11.520 1.00 0.00 O ATOM 1251 CB ASP A 77 -4.462 10.915 -10.379 1.00 0.00 C ATOM 1252 CG ASP A 77 -4.976 11.410 -11.733 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -5.748 10.653 -12.359 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -4.584 12.536 -12.111 1.00 0.00 O ATOM 0 H ASP A 77 -1.953 10.077 -9.209 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.239 8.779 -10.526 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.317 10.720 -9.732 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.885 11.713 -9.913 1.00 0.00 H new ATOM 1259 N GLU A 78 -3.168 9.336 -12.789 1.00 0.00 N ATOM 1260 CA GLU A 78 -2.395 9.391 -14.018 1.00 0.00 C ATOM 1261 C GLU A 78 -1.737 10.763 -14.171 1.00 0.00 C ATOM 1262 O GLU A 78 -0.514 10.879 -14.113 1.00 0.00 O ATOM 1263 CB GLU A 78 -3.269 9.064 -15.230 1.00 0.00 C ATOM 1264 CG GLU A 78 -3.371 7.552 -15.441 1.00 0.00 C ATOM 1265 CD GLU A 78 -4.810 7.068 -15.254 1.00 0.00 C ATOM 1266 OE1 GLU A 78 -5.639 7.400 -16.129 1.00 0.00 O ATOM 1267 OE2 GLU A 78 -5.049 6.376 -14.241 1.00 0.00 O ATOM 0 H GLU A 78 -4.102 8.938 -12.890 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.609 8.638 -13.964 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.265 9.483 -15.088 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.851 9.532 -16.121 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.025 7.297 -16.443 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.716 7.038 -14.737 1.00 0.00 H new ATOM 1274 N GLU A 79 -2.578 11.769 -14.362 1.00 0.00 N ATOM 1275 CA GLU A 79 -2.093 13.129 -14.524 1.00 0.00 C ATOM 1276 C GLU A 79 -0.967 13.414 -13.527 1.00 0.00 C ATOM 1277 O GLU A 79 0.130 13.805 -13.920 1.00 0.00 O ATOM 1278 CB GLU A 79 -3.232 14.139 -14.367 1.00 0.00 C ATOM 1279 CG GLU A 79 -3.313 15.066 -15.582 1.00 0.00 C ATOM 1280 CD GLU A 79 -3.919 16.418 -15.201 1.00 0.00 C ATOM 1281 OE1 GLU A 79 -3.145 17.270 -14.714 1.00 0.00 O ATOM 1282 OE2 GLU A 79 -5.143 16.569 -15.405 1.00 0.00 O ATOM 0 H GLU A 79 -3.592 11.669 -14.408 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.694 13.234 -15.533 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.177 13.610 -14.244 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.078 14.730 -13.464 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.316 15.214 -15.998 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.917 14.599 -16.360 1.00 0.00 H new ATOM 1289 N GLU A 80 -1.279 13.205 -12.256 1.00 0.00 N ATOM 1290 CA GLU A 80 -0.308 13.434 -11.200 1.00 0.00 C ATOM 1291 C GLU A 80 1.081 12.975 -11.648 1.00 0.00 C ATOM 1292 O GLU A 80 2.026 13.763 -11.661 1.00 0.00 O ATOM 1293 CB GLU A 80 -0.727 12.732 -9.907 1.00 0.00 C ATOM 1294 CG GLU A 80 -0.974 13.745 -8.788 1.00 0.00 C ATOM 1295 CD GLU A 80 -0.530 13.186 -7.434 1.00 0.00 C ATOM 1296 OE1 GLU A 80 0.664 12.832 -7.331 1.00 0.00 O ATOM 1297 OE2 GLU A 80 -1.396 13.126 -6.534 1.00 0.00 O ATOM 0 H GLU A 80 -2.191 12.880 -11.934 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.268 14.504 -10.996 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.632 12.150 -10.082 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.049 12.030 -9.602 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.432 14.666 -9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.033 14.000 -8.751 1.00 0.00 H new ATOM 1304 N ARG A 81 1.162 11.701 -12.004 1.00 0.00 N ATOM 1305 CA ARG A 81 2.419 11.127 -12.452 1.00 0.00 C ATOM 1306 C ARG A 81 2.996 11.947 -13.607 1.00 0.00 C ATOM 1307 O ARG A 81 2.252 12.451 -14.447 1.00 0.00 O ATOM 1308 CB ARG A 81 2.233 9.678 -12.907 1.00 0.00 C ATOM 1309 CG ARG A 81 2.533 8.702 -11.767 1.00 0.00 C ATOM 1310 CD ARG A 81 3.103 7.389 -12.307 1.00 0.00 C ATOM 1311 NE ARG A 81 4.581 7.456 -12.346 1.00 0.00 N ATOM 1312 CZ ARG A 81 5.357 7.567 -11.259 1.00 0.00 C ATOM 1313 NH1 ARG A 81 4.801 7.623 -10.042 1.00 0.00 N ATOM 1314 NH2 ARG A 81 6.690 7.621 -11.391 1.00 0.00 N ATOM 0 H ARG A 81 0.377 11.050 -11.991 1.00 0.00 H new ATOM 0 HA ARG A 81 3.110 11.145 -11.609 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.211 9.531 -13.257 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.891 9.471 -13.751 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.243 9.153 -11.074 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.621 8.503 -11.204 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.785 6.559 -11.677 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.713 7.198 -13.307 1.00 0.00 H new ATOM 0 HE ARG A 81 5.038 7.415 -13.257 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.787 7.581 -9.942 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.392 7.707 -9.215 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.113 7.578 -12.318 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.281 7.706 -10.564 1.00 0.00 H new ATOM 1328 N SER A 82 4.317 12.056 -13.613 1.00 0.00 N ATOM 1329 CA SER A 82 5.001 12.806 -14.652 1.00 0.00 C ATOM 1330 C SER A 82 5.533 11.852 -15.723 1.00 0.00 C ATOM 1331 O SER A 82 5.384 12.107 -16.917 1.00 0.00 O ATOM 1332 CB SER A 82 6.144 13.638 -14.067 1.00 0.00 C ATOM 1333 OG SER A 82 6.844 14.366 -15.074 1.00 0.00 O ATOM 0 H SER A 82 4.931 11.637 -12.915 1.00 0.00 H new ATOM 0 HA SER A 82 4.285 13.490 -15.108 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.745 14.333 -13.328 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.840 12.982 -13.544 1.00 0.00 H new ATOM 0 HG SER A 82 7.565 14.886 -14.661 1.00 0.00 H new ATOM 1339 N GLY A 83 6.143 10.771 -15.257 1.00 0.00 N ATOM 1340 CA GLY A 83 6.698 9.777 -16.160 1.00 0.00 C ATOM 1341 C GLY A 83 5.611 9.187 -17.060 1.00 0.00 C ATOM 1342 O GLY A 83 4.940 9.916 -17.789 1.00 0.00 O ATOM 0 H GLY A 83 6.265 10.562 -14.266 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.476 10.232 -16.773 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.170 8.981 -15.584 1.00 0.00 H new ATOM 1346 N PRO A 84 5.468 7.837 -16.979 1.00 0.00 N ATOM 1347 CA PRO A 84 4.474 7.140 -17.778 1.00 0.00 C ATOM 1348 C PRO A 84 3.068 7.358 -17.216 1.00 0.00 C ATOM 1349 O PRO A 84 2.541 6.505 -16.503 1.00 0.00 O ATOM 1350 CB PRO A 84 4.903 5.682 -17.756 1.00 0.00 C ATOM 1351 CG PRO A 84 5.847 5.544 -16.573 1.00 0.00 C ATOM 1352 CD PRO A 84 6.245 6.941 -16.128 1.00 0.00 C ATOM 0 HA PRO A 84 4.422 7.511 -18.802 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.042 5.023 -17.647 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.400 5.407 -18.686 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.361 5.008 -15.758 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.728 4.967 -16.853 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.018 7.100 -15.074 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.315 7.106 -16.252 1.00 0.00 H new ATOM 1360 N SER A 85 2.500 8.506 -17.557 1.00 0.00 N ATOM 1361 CA SER A 85 1.165 8.846 -17.095 1.00 0.00 C ATOM 1362 C SER A 85 0.117 8.139 -17.957 1.00 0.00 C ATOM 1363 O SER A 85 -0.705 7.381 -17.444 1.00 0.00 O ATOM 1364 CB SER A 85 0.942 10.360 -17.124 1.00 0.00 C ATOM 1365 OG SER A 85 -0.295 10.729 -16.520 1.00 0.00 O ATOM 0 H SER A 85 2.940 9.212 -18.147 1.00 0.00 H new ATOM 0 HA SER A 85 1.064 8.510 -16.063 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.761 10.857 -16.605 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.960 10.709 -18.156 1.00 0.00 H new ATOM 0 HG SER A 85 -0.124 11.325 -15.761 1.00 0.00 H new ATOM 1371 N SER A 86 0.179 8.412 -19.252 1.00 0.00 N ATOM 1372 CA SER A 86 -0.754 7.811 -20.189 1.00 0.00 C ATOM 1373 C SER A 86 -0.834 6.302 -19.953 1.00 0.00 C ATOM 1374 O SER A 86 -1.909 5.768 -19.682 1.00 0.00 O ATOM 1375 CB SER A 86 -0.347 8.102 -21.635 1.00 0.00 C ATOM 1376 OG SER A 86 1.032 7.826 -21.867 1.00 0.00 O ATOM 0 H SER A 86 0.861 9.042 -19.674 1.00 0.00 H new ATOM 0 HA SER A 86 -1.737 8.251 -20.022 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.956 7.501 -22.311 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.551 9.147 -21.866 1.00 0.00 H new ATOM 0 HG SER A 86 1.252 8.023 -22.801 1.00 0.00 H new ATOM 1382 N GLY A 87 0.317 5.656 -20.066 1.00 0.00 N ATOM 1383 CA GLY A 87 0.391 4.218 -19.868 1.00 0.00 C ATOM 1384 C GLY A 87 0.650 3.495 -21.191 1.00 0.00 C ATOM 1385 O GLY A 87 1.801 3.300 -21.581 1.00 0.00 O ATOM 0 H GLY A 87 1.206 6.102 -20.292 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.187 3.985 -19.160 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.540 3.859 -19.430 1.00 0.00 H new TER 1389 GLY A 87