USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 706 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 33 SER OG : rot 172:sc= 0 USER MOD Set 1.2: A 37 MET CE :methyl 174:sc= -4.23! (180deg=-4.61!) USER MOD Set 1.3: A 85 TYR OH : rot 30:sc= -2.22 USER MOD Set 2.1: A 75 ASN : amide:sc= 0 X(o=1,f=1) USER MOD Set 2.2: A 79 ASN : amide:sc= 1.04 K(o=1,f=-0.46) USER MOD Set 3.1: A 68 GLN : amide:sc= 0.173 K(o=0.0084,f=-2) USER MOD Set 3.2: A 72 GLN : amide:sc= -0.165 X(o=0.0084,f=-0.2) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.285 K(o=-0.29,f=-1.3) USER MOD Single : A 8 LYS NZ :NH3+ 153:sc= -0.118 (180deg=-0.78) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 63:sc= 1.14 USER MOD Single : A 23 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.4) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 1.91 K(o=1.9,f=-0.83) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -166:sc= -0.0491 (180deg=-0.433) USER MOD Single : A 46 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.5!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -55:sc= -0.0394 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 55 GLN : amide:sc= -0.195 K(o=-0.19,f=-3.2!) USER MOD Single : A 57 THR OG1 : rot -84:sc= -0.514! USER MOD Single : A 61 GLN : amide:sc= -0.704 K(o=-0.7,f=-4.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 89:sc= 0.0936 USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 3.139 22.314 -7.822 1.00 0.00 N ATOM 63 CA LYS A 5 4.107 21.234 -8.006 1.00 0.00 C ATOM 64 C LYS A 5 4.500 20.570 -6.690 1.00 0.00 C ATOM 65 O LYS A 5 4.835 19.387 -6.667 1.00 0.00 O ATOM 66 CB LYS A 5 5.360 21.766 -8.700 1.00 0.00 C ATOM 67 CG LYS A 5 5.889 23.057 -8.092 1.00 0.00 C ATOM 68 CD LYS A 5 7.395 23.005 -7.887 1.00 0.00 C ATOM 69 CE LYS A 5 7.754 22.721 -6.436 1.00 0.00 C ATOM 70 NZ LYS A 5 8.509 21.445 -6.289 1.00 0.00 N ATOM 0 HA LYS A 5 3.625 20.478 -8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.140 21.006 -8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.138 21.934 -9.754 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.639 23.895 -8.742 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.397 23.238 -7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.823 22.233 -8.526 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.837 23.953 -8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.351 23.543 -6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.843 22.674 -5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.734 21.288 -5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.930 20.656 -6.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.391 21.498 -6.838 1.00 0.00 H new ATOM 84 N ALA A 6 4.463 21.320 -5.596 1.00 0.00 N ATOM 85 CA ALA A 6 4.823 20.766 -4.298 1.00 0.00 C ATOM 86 C ALA A 6 3.824 19.699 -3.858 1.00 0.00 C ATOM 87 O ALA A 6 4.210 18.631 -3.382 1.00 0.00 O ATOM 88 CB ALA A 6 4.916 21.871 -3.256 1.00 0.00 C ATOM 0 H ALA A 6 4.190 22.303 -5.581 1.00 0.00 H new ATOM 0 HA ALA A 6 5.800 20.292 -4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.186 21.440 -2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.676 22.592 -3.557 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.953 22.374 -3.172 1.00 0.00 H new ATOM 94 N ASN A 7 2.538 19.995 -4.020 1.00 0.00 N ATOM 95 CA ASN A 7 1.485 19.060 -3.639 1.00 0.00 C ATOM 96 C ASN A 7 1.490 17.829 -4.540 1.00 0.00 C ATOM 97 O ASN A 7 1.415 16.699 -4.059 1.00 0.00 O ATOM 98 CB ASN A 7 0.117 19.743 -3.701 1.00 0.00 C ATOM 99 CG ASN A 7 -0.955 18.960 -2.967 1.00 0.00 C ATOM 100 OD1 ASN A 7 -0.683 18.309 -1.958 1.00 0.00 O ATOM 101 ND2 ASN A 7 -2.182 19.020 -3.471 1.00 0.00 N ATOM 0 H ASN A 7 2.200 20.874 -4.412 1.00 0.00 H new ATOM 0 HA ASN A 7 1.679 18.739 -2.616 1.00 0.00 H new ATOM 0 HB2 ASN A 7 0.193 20.741 -3.270 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -0.177 19.867 -4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.944 18.514 -3.020 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.362 19.572 -4.309 1.00 0.00 H new ATOM 108 N LYS A 8 1.581 18.050 -5.847 1.00 0.00 N ATOM 109 CA LYS A 8 1.592 16.950 -6.804 1.00 0.00 C ATOM 110 C LYS A 8 2.877 16.138 -6.685 1.00 0.00 C ATOM 111 O LYS A 8 2.857 14.910 -6.767 1.00 0.00 O ATOM 112 CB LYS A 8 1.436 17.481 -8.231 1.00 0.00 C ATOM 113 CG LYS A 8 2.627 18.290 -8.713 1.00 0.00 C ATOM 114 CD LYS A 8 3.686 17.403 -9.354 1.00 0.00 C ATOM 115 CE LYS A 8 3.926 17.777 -10.808 1.00 0.00 C ATOM 116 NZ LYS A 8 4.288 19.213 -10.959 1.00 0.00 N ATOM 0 H LYS A 8 1.648 18.977 -6.267 1.00 0.00 H new ATOM 0 HA LYS A 8 0.750 16.297 -6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.281 16.640 -8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.541 18.101 -8.283 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.293 19.037 -9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.064 18.830 -7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.619 17.489 -8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.373 16.361 -9.293 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.724 17.157 -11.216 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.029 17.565 -11.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.866 19.337 -11.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.422 19.783 -11.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.829 19.524 -10.127 1.00 0.00 H new ATOM 130 N ASP A 9 3.993 16.831 -6.482 1.00 0.00 N ATOM 131 CA ASP A 9 5.284 16.169 -6.345 1.00 0.00 C ATOM 132 C ASP A 9 5.269 15.208 -5.162 1.00 0.00 C ATOM 133 O ASP A 9 5.675 14.053 -5.280 1.00 0.00 O ATOM 134 CB ASP A 9 6.398 17.204 -6.167 1.00 0.00 C ATOM 135 CG ASP A 9 7.767 16.567 -6.026 1.00 0.00 C ATOM 136 OD1 ASP A 9 8.429 16.346 -7.062 1.00 0.00 O ATOM 137 OD2 ASP A 9 8.178 16.290 -4.880 1.00 0.00 O ATOM 0 H ASP A 9 4.029 17.848 -6.409 1.00 0.00 H new ATOM 0 HA ASP A 9 5.475 15.600 -7.255 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.402 17.879 -7.022 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.190 17.809 -5.284 1.00 0.00 H new ATOM 142 N LEU A 10 4.799 15.697 -4.018 1.00 0.00 N ATOM 143 CA LEU A 10 4.732 14.887 -2.808 1.00 0.00 C ATOM 144 C LEU A 10 3.801 13.689 -2.989 1.00 0.00 C ATOM 145 O LEU A 10 4.140 12.569 -2.606 1.00 0.00 O ATOM 146 CB LEU A 10 4.261 15.742 -1.628 1.00 0.00 C ATOM 147 CG LEU A 10 5.345 16.096 -0.608 1.00 0.00 C ATOM 148 CD1 LEU A 10 5.858 14.844 0.086 1.00 0.00 C ATOM 149 CD2 LEU A 10 6.489 16.839 -1.280 1.00 0.00 C ATOM 0 H LEU A 10 4.459 16.652 -3.905 1.00 0.00 H new ATOM 0 HA LEU A 10 5.733 14.508 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.834 16.667 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.459 15.213 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 10 4.905 16.750 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.628 15.117 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.035 14.352 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.280 14.164 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.250 17.082 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.926 16.210 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.112 17.758 -1.728 1.00 0.00 H new ATOM 161 N ILE A 11 2.623 13.928 -3.561 1.00 0.00 N ATOM 162 CA ILE A 11 1.653 12.856 -3.769 1.00 0.00 C ATOM 163 C ILE A 11 2.193 11.788 -4.716 1.00 0.00 C ATOM 164 O ILE A 11 2.163 10.600 -4.399 1.00 0.00 O ATOM 165 CB ILE A 11 0.324 13.403 -4.332 1.00 0.00 C ATOM 166 CG1 ILE A 11 -0.206 14.532 -3.447 1.00 0.00 C ATOM 167 CG2 ILE A 11 -0.707 12.289 -4.448 1.00 0.00 C ATOM 168 CD1 ILE A 11 -1.074 15.525 -4.192 1.00 0.00 C ATOM 0 H ILE A 11 2.319 14.846 -3.886 1.00 0.00 H new ATOM 0 HA ILE A 11 1.471 12.406 -2.793 1.00 0.00 H new ATOM 0 HB ILE A 11 0.511 13.803 -5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.781 14.101 -2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.637 15.060 -3.002 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.637 12.694 -4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.332 11.515 -5.117 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.891 11.860 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.415 16.298 -3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.496 15.983 -4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.936 15.009 -4.615 1.00 0.00 H new ATOM 180 N SER A 12 2.679 12.208 -5.880 1.00 0.00 N ATOM 181 CA SER A 12 3.212 11.272 -6.863 1.00 0.00 C ATOM 182 C SER A 12 4.494 10.616 -6.362 1.00 0.00 C ATOM 183 O SER A 12 4.732 9.435 -6.613 1.00 0.00 O ATOM 184 CB SER A 12 3.480 11.992 -8.185 1.00 0.00 C ATOM 185 OG SER A 12 4.001 11.101 -9.155 1.00 0.00 O ATOM 0 H SER A 12 2.715 13.187 -6.165 1.00 0.00 H new ATOM 0 HA SER A 12 2.468 10.491 -7.021 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.556 12.436 -8.554 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.183 12.808 -8.022 1.00 0.00 H new ATOM 0 HG SER A 12 4.162 11.586 -9.991 1.00 0.00 H new ATOM 191 N ALA A 13 5.315 11.382 -5.651 1.00 0.00 N ATOM 192 CA ALA A 13 6.565 10.857 -5.118 1.00 0.00 C ATOM 193 C ALA A 13 6.291 9.775 -4.084 1.00 0.00 C ATOM 194 O ALA A 13 6.922 8.720 -4.090 1.00 0.00 O ATOM 195 CB ALA A 13 7.401 11.975 -4.516 1.00 0.00 C ATOM 0 H ALA A 13 5.138 12.362 -5.432 1.00 0.00 H new ATOM 0 HA ALA A 13 7.129 10.413 -5.938 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.331 11.563 -4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.628 12.714 -5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.845 12.451 -3.708 1.00 0.00 H new ATOM 201 N GLY A 14 5.340 10.035 -3.197 1.00 0.00 N ATOM 202 CA GLY A 14 5.003 9.057 -2.187 1.00 0.00 C ATOM 203 C GLY A 14 4.325 7.850 -2.796 1.00 0.00 C ATOM 204 O GLY A 14 4.513 6.720 -2.339 1.00 0.00 O ATOM 0 H GLY A 14 4.800 10.900 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.907 8.744 -1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.346 9.510 -1.444 1.00 0.00 H new ATOM 208 N LEU A 15 3.535 8.088 -3.841 1.00 0.00 N ATOM 209 CA LEU A 15 2.829 7.010 -4.513 1.00 0.00 C ATOM 210 C LEU A 15 3.801 6.146 -5.313 1.00 0.00 C ATOM 211 O LEU A 15 3.682 4.920 -5.325 1.00 0.00 O ATOM 212 CB LEU A 15 1.753 7.591 -5.434 1.00 0.00 C ATOM 213 CG LEU A 15 0.319 7.462 -4.917 1.00 0.00 C ATOM 214 CD1 LEU A 15 -0.105 8.735 -4.202 1.00 0.00 C ATOM 215 CD2 LEU A 15 -0.638 7.143 -6.058 1.00 0.00 C ATOM 0 H LEU A 15 3.371 9.014 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 15 2.353 6.380 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.970 8.646 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.820 7.096 -6.403 1.00 0.00 H new ATOM 0 HG LEU A 15 0.284 6.639 -4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.128 8.626 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.561 8.917 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.052 9.576 -4.894 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.652 7.055 -5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.601 7.942 -6.798 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.346 6.202 -6.525 1.00 0.00 H new ATOM 227 N LYS A 16 4.766 6.781 -5.977 1.00 0.00 N ATOM 228 CA LYS A 16 5.744 6.041 -6.767 1.00 0.00 C ATOM 229 C LYS A 16 6.614 5.184 -5.856 1.00 0.00 C ATOM 230 O LYS A 16 6.875 4.016 -6.148 1.00 0.00 O ATOM 231 CB LYS A 16 6.606 6.998 -7.606 1.00 0.00 C ATOM 232 CG LYS A 16 7.634 7.784 -6.808 1.00 0.00 C ATOM 233 CD LYS A 16 8.947 7.028 -6.680 1.00 0.00 C ATOM 234 CE LYS A 16 10.143 7.949 -6.879 1.00 0.00 C ATOM 235 NZ LYS A 16 10.885 7.633 -8.131 1.00 0.00 N ATOM 0 H LYS A 16 4.890 7.793 -5.983 1.00 0.00 H new ATOM 0 HA LYS A 16 5.210 5.384 -7.454 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.123 6.422 -8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.951 7.700 -8.121 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.813 8.744 -7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.238 7.996 -5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.005 6.562 -5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.979 6.225 -7.416 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.803 8.984 -6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.816 7.860 -6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.692 8.282 -8.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.232 6.653 -8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.250 7.743 -8.948 1.00 0.00 H new ATOM 249 N GLU A 17 7.041 5.763 -4.737 1.00 0.00 N ATOM 250 CA GLU A 17 7.862 5.045 -3.773 1.00 0.00 C ATOM 251 C GLU A 17 7.095 3.848 -3.225 1.00 0.00 C ATOM 252 O GLU A 17 7.652 2.761 -3.057 1.00 0.00 O ATOM 253 CB GLU A 17 8.278 5.973 -2.629 1.00 0.00 C ATOM 254 CG GLU A 17 9.672 5.693 -2.091 1.00 0.00 C ATOM 255 CD GLU A 17 9.664 5.271 -0.635 1.00 0.00 C ATOM 256 OE1 GLU A 17 9.326 4.101 -0.358 1.00 0.00 O ATOM 257 OE2 GLU A 17 9.997 6.110 0.229 1.00 0.00 O ATOM 0 H GLU A 17 6.831 6.727 -4.478 1.00 0.00 H new ATOM 0 HA GLU A 17 8.762 4.690 -4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.233 7.005 -2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.558 5.878 -1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.137 4.910 -2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.286 6.587 -2.203 1.00 0.00 H new ATOM 264 N PHE A 18 5.808 4.053 -2.959 1.00 0.00 N ATOM 265 CA PHE A 18 4.959 2.989 -2.440 1.00 0.00 C ATOM 266 C PHE A 18 4.924 1.807 -3.401 1.00 0.00 C ATOM 267 O PHE A 18 5.112 0.660 -2.999 1.00 0.00 O ATOM 268 CB PHE A 18 3.539 3.506 -2.199 1.00 0.00 C ATOM 269 CG PHE A 18 2.791 2.744 -1.140 1.00 0.00 C ATOM 270 CD1 PHE A 18 3.073 2.941 0.200 1.00 0.00 C ATOM 271 CD2 PHE A 18 1.806 1.833 -1.486 1.00 0.00 C ATOM 272 CE1 PHE A 18 2.388 2.244 1.178 1.00 0.00 C ATOM 273 CE2 PHE A 18 1.117 1.132 -0.513 1.00 0.00 C ATOM 274 CZ PHE A 18 1.409 1.338 0.821 1.00 0.00 C ATOM 0 H PHE A 18 5.332 4.945 -3.095 1.00 0.00 H new ATOM 0 HA PHE A 18 5.380 2.655 -1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.588 4.556 -1.912 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.980 3.456 -3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.838 3.648 0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.574 1.668 -2.528 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.618 2.408 2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.352 0.424 -0.796 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.873 0.792 1.583 1.00 0.00 H new ATOM 284 N SER A 19 4.680 2.096 -4.674 1.00 0.00 N ATOM 285 CA SER A 19 4.612 1.058 -5.697 1.00 0.00 C ATOM 286 C SER A 19 5.919 0.274 -5.785 1.00 0.00 C ATOM 287 O SER A 19 5.908 -0.954 -5.895 1.00 0.00 O ATOM 288 CB SER A 19 4.283 1.676 -7.057 1.00 0.00 C ATOM 289 OG SER A 19 4.684 3.035 -7.111 1.00 0.00 O ATOM 0 H SER A 19 4.526 3.042 -5.023 1.00 0.00 H new ATOM 0 HA SER A 19 3.820 0.365 -5.414 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.784 1.114 -7.846 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.212 1.602 -7.244 1.00 0.00 H new ATOM 0 HG SER A 19 5.657 3.094 -7.005 1.00 0.00 H new ATOM 295 N VAL A 20 7.042 0.983 -5.726 1.00 0.00 N ATOM 296 CA VAL A 20 8.348 0.334 -5.793 1.00 0.00 C ATOM 297 C VAL A 20 8.542 -0.595 -4.604 1.00 0.00 C ATOM 298 O VAL A 20 9.158 -1.656 -4.720 1.00 0.00 O ATOM 299 CB VAL A 20 9.504 1.356 -5.815 1.00 0.00 C ATOM 300 CG1 VAL A 20 10.773 0.715 -6.357 1.00 0.00 C ATOM 301 CG2 VAL A 20 9.130 2.584 -6.628 1.00 0.00 C ATOM 0 H VAL A 20 7.075 1.998 -5.633 1.00 0.00 H new ATOM 0 HA VAL A 20 8.369 -0.234 -6.723 1.00 0.00 H new ATOM 0 HB VAL A 20 9.692 1.678 -4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.577 1.451 -6.365 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.056 -0.125 -5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.596 0.360 -7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.962 3.288 -6.627 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.906 2.288 -7.653 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.253 3.058 -6.188 1.00 0.00 H new ATOM 311 N LEU A 21 8.013 -0.181 -3.462 1.00 0.00 N ATOM 312 CA LEU A 21 8.124 -0.964 -2.237 1.00 0.00 C ATOM 313 C LEU A 21 7.229 -2.204 -2.282 1.00 0.00 C ATOM 314 O LEU A 21 7.655 -3.297 -1.912 1.00 0.00 O ATOM 315 CB LEU A 21 7.767 -0.094 -1.024 1.00 0.00 C ATOM 316 CG LEU A 21 7.294 -0.850 0.224 1.00 0.00 C ATOM 317 CD1 LEU A 21 8.195 -2.045 0.507 1.00 0.00 C ATOM 318 CD2 LEU A 21 7.249 0.084 1.425 1.00 0.00 C ATOM 0 H LEU A 21 7.501 0.695 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 21 9.156 -1.303 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.641 0.499 -0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.985 0.606 -1.320 1.00 0.00 H new ATOM 0 HG LEU A 21 6.287 -1.223 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.840 -2.566 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.175 -2.726 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.216 -1.700 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.911 -0.468 2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.245 0.487 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.558 0.903 1.223 1.00 0.00 H new ATOM 330 N LEU A 22 5.988 -2.026 -2.720 1.00 0.00 N ATOM 331 CA LEU A 22 5.039 -3.133 -2.789 1.00 0.00 C ATOM 332 C LEU A 22 5.499 -4.211 -3.764 1.00 0.00 C ATOM 333 O LEU A 22 5.268 -5.400 -3.539 1.00 0.00 O ATOM 334 CB LEU A 22 3.657 -2.623 -3.199 1.00 0.00 C ATOM 335 CG LEU A 22 3.076 -1.532 -2.300 1.00 0.00 C ATOM 336 CD1 LEU A 22 1.920 -0.830 -2.995 1.00 0.00 C ATOM 337 CD2 LEU A 22 2.627 -2.115 -0.968 1.00 0.00 C ATOM 0 H LEU A 22 5.615 -1.129 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 22 4.984 -3.577 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.716 -2.240 -4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.966 -3.466 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 22 3.857 -0.797 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.518 -0.056 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.274 -0.375 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.138 -1.555 -3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.217 -1.322 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.862 -2.872 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.480 -2.569 -0.464 1.00 0.00 H new ATOM 349 N ASN A 23 6.141 -3.798 -4.852 1.00 0.00 N ATOM 350 CA ASN A 23 6.616 -4.742 -5.857 1.00 0.00 C ATOM 351 C ASN A 23 7.929 -5.409 -5.430 1.00 0.00 C ATOM 352 O ASN A 23 8.422 -6.308 -6.110 1.00 0.00 O ATOM 353 CB ASN A 23 6.775 -4.032 -7.212 1.00 0.00 C ATOM 354 CG ASN A 23 8.223 -3.802 -7.614 1.00 0.00 C ATOM 355 OD1 ASN A 23 8.787 -4.558 -8.405 1.00 0.00 O ATOM 356 ND2 ASN A 23 8.830 -2.757 -7.067 1.00 0.00 N ATOM 0 H ASN A 23 6.344 -2.820 -5.060 1.00 0.00 H new ATOM 0 HA ASN A 23 5.872 -5.532 -5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.283 -4.625 -7.983 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.261 -3.072 -7.172 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.803 -2.554 -7.298 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.324 -2.157 -6.416 1.00 0.00 H new ATOM 363 N GLN A 24 8.502 -4.958 -4.316 1.00 0.00 N ATOM 364 CA GLN A 24 9.764 -5.513 -3.832 1.00 0.00 C ATOM 365 C GLN A 24 9.551 -6.576 -2.751 1.00 0.00 C ATOM 366 O GLN A 24 10.207 -6.546 -1.709 1.00 0.00 O ATOM 367 CB GLN A 24 10.655 -4.391 -3.287 1.00 0.00 C ATOM 368 CG GLN A 24 11.529 -3.736 -4.346 1.00 0.00 C ATOM 369 CD GLN A 24 12.944 -3.487 -3.858 1.00 0.00 C ATOM 370 OE1 GLN A 24 13.756 -4.409 -3.780 1.00 0.00 O ATOM 371 NE2 GLN A 24 13.246 -2.237 -3.527 1.00 0.00 N ATOM 0 H GLN A 24 8.115 -4.214 -3.735 1.00 0.00 H new ATOM 0 HA GLN A 24 10.252 -5.997 -4.678 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.025 -3.630 -2.827 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.293 -4.795 -2.501 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.560 -4.371 -5.231 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.080 -2.790 -4.648 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.542 -1.504 -3.607 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.182 -2.010 -3.192 1.00 0.00 H new ATOM 380 N GLN A 25 8.654 -7.529 -3.000 1.00 0.00 N ATOM 381 CA GLN A 25 8.393 -8.603 -2.041 1.00 0.00 C ATOM 382 C GLN A 25 8.903 -9.934 -2.593 1.00 0.00 C ATOM 383 O GLN A 25 9.409 -9.985 -3.714 1.00 0.00 O ATOM 384 CB GLN A 25 6.902 -8.689 -1.719 1.00 0.00 C ATOM 385 CG GLN A 25 6.492 -7.892 -0.489 1.00 0.00 C ATOM 386 CD GLN A 25 7.136 -6.520 -0.433 1.00 0.00 C ATOM 387 OE1 GLN A 25 7.956 -6.241 0.443 1.00 0.00 O ATOM 388 NE2 GLN A 25 6.765 -5.655 -1.368 1.00 0.00 N ATOM 0 H GLN A 25 8.098 -7.580 -3.853 1.00 0.00 H new ATOM 0 HA GLN A 25 8.925 -8.381 -1.116 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.333 -8.332 -2.578 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.632 -9.734 -1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.408 -7.780 -0.480 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.762 -8.451 0.407 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.082 -5.929 -2.075 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.162 -4.716 -1.380 1.00 0.00 H new ATOM 397 N VAL A 26 8.803 -11.007 -1.807 1.00 0.00 N ATOM 398 CA VAL A 26 9.300 -12.306 -2.260 1.00 0.00 C ATOM 399 C VAL A 26 8.221 -13.161 -2.929 1.00 0.00 C ATOM 400 O VAL A 26 8.030 -14.328 -2.588 1.00 0.00 O ATOM 401 CB VAL A 26 9.930 -13.098 -1.098 1.00 0.00 C ATOM 402 CG1 VAL A 26 10.636 -14.341 -1.616 1.00 0.00 C ATOM 403 CG2 VAL A 26 10.893 -12.216 -0.316 1.00 0.00 C ATOM 0 H VAL A 26 8.392 -11.005 -0.874 1.00 0.00 H new ATOM 0 HA VAL A 26 10.060 -12.085 -3.009 1.00 0.00 H new ATOM 0 HB VAL A 26 9.134 -13.417 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.074 -14.886 -0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.918 -14.980 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.423 -14.049 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.330 -12.790 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.685 -11.866 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.354 -11.359 0.089 1.00 0.00 H new ATOM 413 N PHE A 27 7.517 -12.556 -3.878 1.00 0.00 N ATOM 414 CA PHE A 27 6.452 -13.265 -4.584 1.00 0.00 C ATOM 415 C PHE A 27 7.041 -14.433 -5.365 1.00 0.00 C ATOM 416 O PHE A 27 7.352 -14.303 -6.549 1.00 0.00 O ATOM 417 CB PHE A 27 5.703 -12.351 -5.555 1.00 0.00 C ATOM 418 CG PHE A 27 5.183 -11.086 -4.944 1.00 0.00 C ATOM 419 CD1 PHE A 27 4.044 -11.104 -4.161 1.00 0.00 C ATOM 420 CD2 PHE A 27 5.820 -9.879 -5.171 1.00 0.00 C ATOM 421 CE1 PHE A 27 3.546 -9.939 -3.611 1.00 0.00 C ATOM 422 CE2 PHE A 27 5.330 -8.710 -4.623 1.00 0.00 C ATOM 423 CZ PHE A 27 4.190 -8.740 -3.843 1.00 0.00 C ATOM 0 H PHE A 27 7.659 -11.591 -4.175 1.00 0.00 H new ATOM 0 HA PHE A 27 5.746 -13.622 -3.834 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.369 -12.094 -6.379 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.866 -12.904 -5.982 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.538 -12.040 -3.977 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.709 -9.851 -5.783 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.655 -9.966 -3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.837 -7.774 -4.804 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.803 -7.827 -3.415 1.00 0.00 H new ATOM 433 N ASN A 28 7.200 -15.577 -4.694 1.00 0.00 N ATOM 434 CA ASN A 28 7.758 -16.765 -5.326 1.00 0.00 C ATOM 435 C ASN A 28 7.371 -18.027 -4.556 1.00 0.00 C ATOM 436 O ASN A 28 6.821 -18.968 -5.129 1.00 0.00 O ATOM 437 CB ASN A 28 9.281 -16.653 -5.422 1.00 0.00 C ATOM 438 CG ASN A 28 9.871 -17.639 -6.411 1.00 0.00 C ATOM 439 OD1 ASN A 28 10.433 -18.663 -6.025 1.00 0.00 O ATOM 440 ND2 ASN A 28 9.747 -17.332 -7.699 1.00 0.00 N ATOM 0 H ASN A 28 6.949 -15.701 -3.713 1.00 0.00 H new ATOM 0 HA ASN A 28 7.345 -16.837 -6.332 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.550 -15.639 -5.719 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.718 -16.824 -4.438 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.126 -17.957 -8.411 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.273 -16.472 -7.975 1.00 0.00 H new ATOM 447 N ASP A 29 7.658 -18.042 -3.255 1.00 0.00 N ATOM 448 CA ASP A 29 7.329 -19.195 -2.416 1.00 0.00 C ATOM 449 C ASP A 29 6.495 -18.787 -1.199 1.00 0.00 C ATOM 450 O ASP A 29 7.029 -18.394 -0.161 1.00 0.00 O ATOM 451 CB ASP A 29 8.608 -19.898 -1.960 1.00 0.00 C ATOM 452 CG ASP A 29 9.636 -18.932 -1.405 1.00 0.00 C ATOM 453 OD1 ASP A 29 10.349 -18.296 -2.209 1.00 0.00 O ATOM 454 OD2 ASP A 29 9.731 -18.814 -0.164 1.00 0.00 O ATOM 0 H ASP A 29 8.114 -17.275 -2.761 1.00 0.00 H new ATOM 0 HA ASP A 29 6.733 -19.882 -3.017 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.360 -20.637 -1.198 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.040 -20.440 -2.801 1.00 0.00 H new ATOM 459 N ALA A 30 5.178 -18.849 -1.364 1.00 0.00 N ATOM 460 CA ALA A 30 4.222 -18.457 -0.329 1.00 0.00 C ATOM 461 C ALA A 30 4.115 -19.451 0.837 1.00 0.00 C ATOM 462 O ALA A 30 4.556 -20.595 0.745 1.00 0.00 O ATOM 463 CB ALA A 30 2.855 -18.223 -0.947 1.00 0.00 C ATOM 0 H ALA A 30 4.739 -19.175 -2.225 1.00 0.00 H new ATOM 0 HA ALA A 30 4.606 -17.533 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.149 -17.931 -0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.923 -17.429 -1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.510 -19.140 -1.425 1.00 0.00 H new ATOM 469 N LEU A 31 3.472 -18.958 1.912 1.00 0.00 N ATOM 470 CA LEU A 31 3.195 -19.711 3.156 1.00 0.00 C ATOM 471 C LEU A 31 3.871 -19.085 4.375 1.00 0.00 C ATOM 472 O LEU A 31 4.810 -19.662 4.924 1.00 0.00 O ATOM 473 CB LEU A 31 3.613 -21.189 3.066 1.00 0.00 C ATOM 474 CG LEU A 31 2.558 -22.139 2.492 1.00 0.00 C ATOM 475 CD1 LEU A 31 1.421 -22.337 3.483 1.00 0.00 C ATOM 476 CD2 LEU A 31 2.029 -21.619 1.167 1.00 0.00 C ATOM 0 H LEU A 31 3.121 -18.001 1.943 1.00 0.00 H new ATOM 0 HA LEU A 31 2.113 -19.660 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.511 -21.258 2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.882 -21.534 4.064 1.00 0.00 H new ATOM 0 HG LEU A 31 3.030 -23.105 2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.681 -23.015 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.813 -22.762 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.952 -21.376 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.281 -22.310 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.576 -20.639 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.850 -21.535 0.455 1.00 0.00 H new ATOM 488 N VAL A 32 3.366 -17.925 4.808 1.00 0.00 N ATOM 489 CA VAL A 32 3.889 -17.213 5.987 1.00 0.00 C ATOM 490 C VAL A 32 3.826 -15.703 5.796 1.00 0.00 C ATOM 491 O VAL A 32 3.319 -14.977 6.649 1.00 0.00 O ATOM 492 CB VAL A 32 5.352 -17.593 6.337 1.00 0.00 C ATOM 493 CG1 VAL A 32 6.269 -17.428 5.132 1.00 0.00 C ATOM 494 CG2 VAL A 32 5.856 -16.753 7.504 1.00 0.00 C ATOM 0 H VAL A 32 2.585 -17.451 4.355 1.00 0.00 H new ATOM 0 HA VAL A 32 3.246 -17.523 6.811 1.00 0.00 H new ATOM 0 HB VAL A 32 5.364 -18.643 6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.287 -17.702 5.409 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.927 -18.074 4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.250 -16.390 4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.884 -17.032 7.736 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.819 -15.697 7.235 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.226 -16.927 8.377 1.00 0.00 H new ATOM 504 N SER A 33 4.372 -15.240 4.683 1.00 0.00 N ATOM 505 CA SER A 33 4.415 -13.822 4.379 1.00 0.00 C ATOM 506 C SER A 33 3.030 -13.180 4.411 1.00 0.00 C ATOM 507 O SER A 33 2.914 -11.970 4.566 1.00 0.00 O ATOM 508 CB SER A 33 5.063 -13.607 3.013 1.00 0.00 C ATOM 509 OG SER A 33 6.457 -13.861 3.064 1.00 0.00 O ATOM 0 H SER A 33 4.795 -15.834 3.970 1.00 0.00 H new ATOM 0 HA SER A 33 5.012 -13.338 5.152 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.597 -14.264 2.279 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.889 -12.583 2.681 1.00 0.00 H new ATOM 0 HG SER A 33 6.826 -13.847 2.156 1.00 0.00 H new ATOM 515 N GLU A 34 1.977 -13.975 4.257 1.00 0.00 N ATOM 516 CA GLU A 34 0.625 -13.417 4.264 1.00 0.00 C ATOM 517 C GLU A 34 0.379 -12.581 5.517 1.00 0.00 C ATOM 518 O GLU A 34 -0.095 -11.447 5.436 1.00 0.00 O ATOM 519 CB GLU A 34 -0.419 -14.536 4.180 1.00 0.00 C ATOM 520 CG GLU A 34 -0.080 -15.761 5.018 1.00 0.00 C ATOM 521 CD GLU A 34 -1.111 -16.036 6.096 1.00 0.00 C ATOM 522 OE1 GLU A 34 -2.080 -16.773 5.817 1.00 0.00 O ATOM 523 OE2 GLU A 34 -0.949 -15.515 7.220 1.00 0.00 O ATOM 0 H GLU A 34 2.027 -14.986 4.128 1.00 0.00 H new ATOM 0 HA GLU A 34 0.531 -12.771 3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.384 -14.144 4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.529 -14.839 3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.001 -16.631 4.366 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.896 -15.620 5.482 1.00 0.00 H new ATOM 530 N GLU A 35 0.724 -13.137 6.669 1.00 0.00 N ATOM 531 CA GLU A 35 0.556 -12.438 7.938 1.00 0.00 C ATOM 532 C GLU A 35 1.582 -11.325 8.096 1.00 0.00 C ATOM 533 O GLU A 35 1.233 -10.175 8.357 1.00 0.00 O ATOM 534 CB GLU A 35 0.666 -13.426 9.102 1.00 0.00 C ATOM 535 CG GLU A 35 0.041 -12.926 10.393 1.00 0.00 C ATOM 536 CD GLU A 35 0.423 -13.778 11.587 1.00 0.00 C ATOM 537 OE1 GLU A 35 1.636 -13.934 11.842 1.00 0.00 O ATOM 538 OE2 GLU A 35 -0.490 -14.293 12.267 1.00 0.00 O ATOM 0 H GLU A 35 1.123 -14.072 6.753 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.435 -11.985 7.945 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.188 -14.363 8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.718 -13.647 9.281 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.353 -11.897 10.570 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.044 -12.917 10.289 1.00 0.00 H new ATOM 545 N ASP A 36 2.854 -11.677 7.936 1.00 0.00 N ATOM 546 CA ASP A 36 3.937 -10.710 8.064 1.00 0.00 C ATOM 547 C ASP A 36 3.741 -9.560 7.089 1.00 0.00 C ATOM 548 O ASP A 36 3.750 -8.395 7.480 1.00 0.00 O ATOM 549 CB ASP A 36 5.289 -11.384 7.823 1.00 0.00 C ATOM 550 CG ASP A 36 6.418 -10.695 8.566 1.00 0.00 C ATOM 551 OD1 ASP A 36 6.802 -9.579 8.159 1.00 0.00 O ATOM 552 OD2 ASP A 36 6.919 -11.274 9.553 1.00 0.00 O ATOM 0 H ASP A 36 3.159 -12.625 7.717 1.00 0.00 H new ATOM 0 HA ASP A 36 3.923 -10.312 9.079 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.234 -12.426 8.137 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.507 -11.384 6.755 1.00 0.00 H new ATOM 557 N MET A 37 3.546 -9.896 5.821 1.00 0.00 N ATOM 558 CA MET A 37 3.327 -8.888 4.798 1.00 0.00 C ATOM 559 C MET A 37 2.118 -8.039 5.163 1.00 0.00 C ATOM 560 O MET A 37 2.132 -6.820 4.998 1.00 0.00 O ATOM 561 CB MET A 37 3.117 -9.545 3.434 1.00 0.00 C ATOM 562 CG MET A 37 3.568 -8.694 2.262 1.00 0.00 C ATOM 563 SD MET A 37 4.317 -9.677 0.953 1.00 0.00 S ATOM 564 CE MET A 37 5.799 -10.251 1.778 1.00 0.00 C ATOM 0 H MET A 37 3.535 -10.857 5.479 1.00 0.00 H new ATOM 0 HA MET A 37 4.209 -8.250 4.740 1.00 0.00 H new ATOM 0 HB2 MET A 37 3.657 -10.491 3.411 1.00 0.00 H new ATOM 0 HB3 MET A 37 2.059 -9.779 3.314 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.713 -8.150 1.861 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.285 -7.950 2.610 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.321 -10.961 1.136 1.00 0.00 H new ATOM 0 HE2 MET A 37 6.451 -9.403 1.987 1.00 0.00 H new ATOM 0 HE3 MET A 37 5.528 -10.740 2.714 1.00 0.00 H new ATOM 574 N VAL A 38 1.058 -8.694 5.638 1.00 0.00 N ATOM 575 CA VAL A 38 -0.158 -7.982 5.993 1.00 0.00 C ATOM 576 C VAL A 38 0.133 -6.894 7.027 1.00 0.00 C ATOM 577 O VAL A 38 -0.334 -5.760 6.881 1.00 0.00 O ATOM 578 CB VAL A 38 -1.228 -8.962 6.531 1.00 0.00 C ATOM 579 CG1 VAL A 38 -2.178 -8.285 7.508 1.00 0.00 C ATOM 580 CG2 VAL A 38 -2.004 -9.581 5.378 1.00 0.00 C ATOM 0 H VAL A 38 1.021 -9.703 5.782 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.546 -7.506 5.092 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.708 -9.750 7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.913 -9.008 7.861 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.613 -7.898 8.356 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.690 -7.463 7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.753 -10.268 5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.497 -8.794 4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.318 -10.125 4.728 1.00 0.00 H new ATOM 590 N THR A 39 0.914 -7.209 8.061 1.00 0.00 N ATOM 591 CA THR A 39 1.244 -6.213 9.071 1.00 0.00 C ATOM 592 C THR A 39 2.162 -5.152 8.477 1.00 0.00 C ATOM 593 O THR A 39 2.048 -3.968 8.788 1.00 0.00 O ATOM 594 CB THR A 39 1.900 -6.886 10.287 1.00 0.00 C ATOM 595 OG1 THR A 39 1.435 -6.304 11.491 1.00 0.00 O ATOM 596 CG2 THR A 39 3.416 -6.808 10.303 1.00 0.00 C ATOM 0 H THR A 39 1.322 -8.131 8.217 1.00 0.00 H new ATOM 0 HA THR A 39 0.327 -5.727 9.405 1.00 0.00 H new ATOM 0 HB THR A 39 1.616 -7.935 10.206 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.862 -6.746 12.254 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.797 -7.307 11.194 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.815 -7.298 9.415 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.726 -5.763 10.312 1.00 0.00 H new ATOM 604 N VAL A 40 3.068 -5.595 7.612 1.00 0.00 N ATOM 605 CA VAL A 40 4.009 -4.696 6.959 1.00 0.00 C ATOM 606 C VAL A 40 3.269 -3.622 6.168 1.00 0.00 C ATOM 607 O VAL A 40 3.529 -2.430 6.329 1.00 0.00 O ATOM 608 CB VAL A 40 4.955 -5.464 6.014 1.00 0.00 C ATOM 609 CG1 VAL A 40 5.980 -4.523 5.402 1.00 0.00 C ATOM 610 CG2 VAL A 40 5.641 -6.602 6.753 1.00 0.00 C ATOM 0 H VAL A 40 3.170 -6.575 7.347 1.00 0.00 H new ATOM 0 HA VAL A 40 4.603 -4.224 7.742 1.00 0.00 H new ATOM 0 HB VAL A 40 4.361 -5.892 5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.638 -5.084 4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.468 -3.747 4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.570 -4.063 6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.304 -7.132 6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.222 -6.199 7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.889 -7.292 7.137 1.00 0.00 H new ATOM 620 N VAL A 41 2.339 -4.053 5.318 1.00 0.00 N ATOM 621 CA VAL A 41 1.555 -3.125 4.515 1.00 0.00 C ATOM 622 C VAL A 41 0.768 -2.177 5.413 1.00 0.00 C ATOM 623 O VAL A 41 0.735 -0.969 5.180 1.00 0.00 O ATOM 624 CB VAL A 41 0.577 -3.868 3.577 1.00 0.00 C ATOM 625 CG1 VAL A 41 -0.294 -2.882 2.811 1.00 0.00 C ATOM 626 CG2 VAL A 41 1.334 -4.772 2.616 1.00 0.00 C ATOM 0 H VAL A 41 2.113 -5.036 5.170 1.00 0.00 H new ATOM 0 HA VAL A 41 2.255 -2.556 3.903 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.073 -4.490 4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.974 -3.429 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.871 -2.283 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.338 -2.228 2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.626 -5.285 1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.014 -4.172 2.011 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.905 -5.508 3.182 1.00 0.00 H new ATOM 636 N GLU A 42 0.140 -2.734 6.444 1.00 0.00 N ATOM 637 CA GLU A 42 -0.640 -1.935 7.381 1.00 0.00 C ATOM 638 C GLU A 42 0.249 -0.916 8.091 1.00 0.00 C ATOM 639 O GLU A 42 -0.136 0.239 8.276 1.00 0.00 O ATOM 640 CB GLU A 42 -1.326 -2.845 8.404 1.00 0.00 C ATOM 641 CG GLU A 42 -2.842 -2.823 8.319 1.00 0.00 C ATOM 642 CD GLU A 42 -3.469 -4.139 8.735 1.00 0.00 C ATOM 643 OE1 GLU A 42 -3.281 -4.544 9.902 1.00 0.00 O ATOM 644 OE2 GLU A 42 -4.149 -4.765 7.894 1.00 0.00 O ATOM 0 H GLU A 42 0.156 -3.733 6.651 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.403 -1.393 6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.977 -3.868 8.259 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.022 -2.544 9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.226 -2.025 8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.141 -2.589 7.297 1.00 0.00 H new ATOM 651 N ASP A 43 1.441 -1.355 8.480 1.00 0.00 N ATOM 652 CA ASP A 43 2.392 -0.488 9.167 1.00 0.00 C ATOM 653 C ASP A 43 2.885 0.618 8.238 1.00 0.00 C ATOM 654 O ASP A 43 2.913 1.790 8.611 1.00 0.00 O ATOM 655 CB ASP A 43 3.580 -1.306 9.679 1.00 0.00 C ATOM 656 CG ASP A 43 3.430 -1.693 11.138 1.00 0.00 C ATOM 657 OD1 ASP A 43 3.743 -0.856 12.010 1.00 0.00 O ATOM 658 OD2 ASP A 43 3.001 -2.835 11.408 1.00 0.00 O ATOM 0 H ASP A 43 1.772 -2.308 8.331 1.00 0.00 H new ATOM 0 HA ASP A 43 1.883 -0.028 10.014 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.684 -2.208 9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.496 -0.730 9.551 1.00 0.00 H new ATOM 663 N TRP A 44 3.282 0.232 7.029 1.00 0.00 N ATOM 664 CA TRP A 44 3.783 1.192 6.052 1.00 0.00 C ATOM 665 C TRP A 44 2.730 2.254 5.756 1.00 0.00 C ATOM 666 O TRP A 44 3.020 3.450 5.775 1.00 0.00 O ATOM 667 CB TRP A 44 4.178 0.479 4.758 1.00 0.00 C ATOM 668 CG TRP A 44 5.488 -0.241 4.852 1.00 0.00 C ATOM 669 CD1 TRP A 44 6.521 0.040 5.700 1.00 0.00 C ATOM 670 CD2 TRP A 44 5.908 -1.365 4.067 1.00 0.00 C ATOM 671 NE1 TRP A 44 7.555 -0.840 5.493 1.00 0.00 N ATOM 672 CE2 TRP A 44 7.203 -1.712 4.495 1.00 0.00 C ATOM 673 CE3 TRP A 44 5.314 -2.112 3.045 1.00 0.00 C ATOM 674 CZ2 TRP A 44 7.913 -2.773 3.938 1.00 0.00 C ATOM 675 CZ3 TRP A 44 6.020 -3.163 2.492 1.00 0.00 C ATOM 676 CH2 TRP A 44 7.306 -3.486 2.940 1.00 0.00 C ATOM 0 H TRP A 44 3.267 -0.735 6.704 1.00 0.00 H new ATOM 0 HA TRP A 44 4.664 1.678 6.472 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.398 -0.234 4.492 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.230 1.210 3.951 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.524 0.838 6.428 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.441 -0.844 5.999 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.321 -1.872 2.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.906 -3.024 4.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.572 -3.745 1.700 1.00 0.00 H new ATOM 0 HH2 TRP A 44 7.830 -4.315 2.489 1.00 0.00 H new ATOM 687 N MET A 45 1.507 1.811 5.485 1.00 0.00 N ATOM 688 CA MET A 45 0.414 2.727 5.189 1.00 0.00 C ATOM 689 C MET A 45 0.212 3.718 6.328 1.00 0.00 C ATOM 690 O MET A 45 0.108 4.923 6.104 1.00 0.00 O ATOM 691 CB MET A 45 -0.878 1.944 4.937 1.00 0.00 C ATOM 692 CG MET A 45 -2.079 2.824 4.637 1.00 0.00 C ATOM 693 SD MET A 45 -3.642 1.936 4.771 1.00 0.00 S ATOM 694 CE MET A 45 -3.324 0.526 3.713 1.00 0.00 C ATOM 0 H MET A 45 1.249 0.824 5.464 1.00 0.00 H new ATOM 0 HA MET A 45 0.672 3.287 4.290 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.721 1.262 4.101 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.097 1.332 5.812 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.086 3.669 5.325 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.983 3.233 3.631 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.263 0.018 3.492 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.867 0.865 2.783 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.648 -0.163 4.219 1.00 0.00 H new ATOM 704 N ASN A 46 0.162 3.202 7.548 1.00 0.00 N ATOM 705 CA ASN A 46 -0.024 4.043 8.725 1.00 0.00 C ATOM 706 C ASN A 46 1.122 5.040 8.867 1.00 0.00 C ATOM 707 O ASN A 46 0.904 6.211 9.175 1.00 0.00 O ATOM 708 CB ASN A 46 -0.123 3.183 9.986 1.00 0.00 C ATOM 709 CG ASN A 46 -1.138 3.723 10.974 1.00 0.00 C ATOM 710 OD1 ASN A 46 -2.135 4.331 10.586 1.00 0.00 O ATOM 711 ND2 ASN A 46 -0.888 3.504 12.260 1.00 0.00 N ATOM 0 H ASN A 46 0.247 2.206 7.750 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.954 4.597 8.599 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.396 2.165 9.708 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.855 3.131 10.465 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.535 3.845 12.971 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.049 2.995 12.537 1.00 0.00 H new ATOM 718 N PHE A 47 2.343 4.566 8.644 1.00 0.00 N ATOM 719 CA PHE A 47 3.525 5.412 8.750 1.00 0.00 C ATOM 720 C PHE A 47 3.475 6.552 7.736 1.00 0.00 C ATOM 721 O PHE A 47 3.944 7.657 8.009 1.00 0.00 O ATOM 722 CB PHE A 47 4.793 4.577 8.547 1.00 0.00 C ATOM 723 CG PHE A 47 6.061 5.385 8.548 1.00 0.00 C ATOM 724 CD1 PHE A 47 6.441 6.106 7.426 1.00 0.00 C ATOM 725 CD2 PHE A 47 6.876 5.421 9.669 1.00 0.00 C ATOM 726 CE1 PHE A 47 7.608 6.846 7.423 1.00 0.00 C ATOM 727 CE2 PHE A 47 8.045 6.160 9.672 1.00 0.00 C ATOM 728 CZ PHE A 47 8.411 6.873 8.546 1.00 0.00 C ATOM 0 H PHE A 47 2.540 3.598 8.388 1.00 0.00 H new ATOM 0 HA PHE A 47 3.543 5.847 9.749 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.852 3.826 9.335 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.716 4.041 7.601 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.818 6.089 6.544 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.594 4.865 10.551 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.892 7.403 6.542 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.670 6.180 10.552 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.324 7.450 8.544 1.00 0.00 H new ATOM 738 N TYR A 48 2.908 6.276 6.566 1.00 0.00 N ATOM 739 CA TYR A 48 2.802 7.284 5.516 1.00 0.00 C ATOM 740 C TYR A 48 1.758 8.338 5.868 1.00 0.00 C ATOM 741 O TYR A 48 2.003 9.536 5.732 1.00 0.00 O ATOM 742 CB TYR A 48 2.453 6.629 4.180 1.00 0.00 C ATOM 743 CG TYR A 48 3.658 6.106 3.435 1.00 0.00 C ATOM 744 CD1 TYR A 48 4.624 6.975 2.944 1.00 0.00 C ATOM 745 CD2 TYR A 48 3.832 4.745 3.227 1.00 0.00 C ATOM 746 CE1 TYR A 48 5.729 6.501 2.266 1.00 0.00 C ATOM 747 CE2 TYR A 48 4.936 4.263 2.550 1.00 0.00 C ATOM 748 CZ TYR A 48 5.881 5.145 2.072 1.00 0.00 C ATOM 749 OH TYR A 48 6.981 4.669 1.397 1.00 0.00 O ATOM 0 H TYR A 48 2.516 5.367 6.321 1.00 0.00 H new ATOM 0 HA TYR A 48 3.770 7.777 5.428 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.760 5.807 4.357 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.934 7.354 3.553 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.509 8.038 3.095 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.093 4.052 3.600 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.471 7.189 1.889 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.058 3.201 2.396 1.00 0.00 H new ATOM 0 HH TYR A 48 6.937 3.691 1.348 1.00 0.00 H new ATOM 759 N ILE A 49 0.593 7.886 6.317 1.00 0.00 N ATOM 760 CA ILE A 49 -0.488 8.795 6.685 1.00 0.00 C ATOM 761 C ILE A 49 -0.036 9.776 7.765 1.00 0.00 C ATOM 762 O ILE A 49 -0.227 10.986 7.640 1.00 0.00 O ATOM 763 CB ILE A 49 -1.725 8.016 7.181 1.00 0.00 C ATOM 764 CG1 ILE A 49 -2.255 7.103 6.076 1.00 0.00 C ATOM 765 CG2 ILE A 49 -2.815 8.974 7.644 1.00 0.00 C ATOM 766 CD1 ILE A 49 -2.695 7.851 4.836 1.00 0.00 C ATOM 0 H ILE A 49 0.372 6.897 6.435 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.759 9.355 5.790 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.426 7.401 8.030 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.479 6.387 5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.097 6.529 6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.678 8.404 7.989 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.436 9.589 8.460 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.112 9.615 6.814 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.060 7.141 4.093 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.493 8.547 5.095 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.850 8.404 4.426 1.00 0.00 H new ATOM 778 N ASN A 50 0.561 9.244 8.825 1.00 0.00 N ATOM 779 CA ASN A 50 1.040 10.065 9.931 1.00 0.00 C ATOM 780 C ASN A 50 2.165 10.994 9.480 1.00 0.00 C ATOM 781 O ASN A 50 2.160 12.185 9.786 1.00 0.00 O ATOM 782 CB ASN A 50 1.532 9.177 11.073 1.00 0.00 C ATOM 783 CG ASN A 50 0.394 8.530 11.837 1.00 0.00 C ATOM 784 OD1 ASN A 50 -0.565 9.195 12.229 1.00 0.00 O ATOM 785 ND2 ASN A 50 0.495 7.224 12.051 1.00 0.00 N ATOM 0 H ASN A 50 0.725 8.244 8.942 1.00 0.00 H new ATOM 0 HA ASN A 50 0.208 10.676 10.280 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.183 8.401 10.671 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.133 9.773 11.759 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.240 6.732 12.559 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.308 6.712 11.708 1.00 0.00 H new ATOM 792 N TYR A 51 3.128 10.437 8.754 1.00 0.00 N ATOM 793 CA TYR A 51 4.263 11.210 8.263 1.00 0.00 C ATOM 794 C TYR A 51 3.800 12.345 7.356 1.00 0.00 C ATOM 795 O TYR A 51 4.208 13.495 7.527 1.00 0.00 O ATOM 796 CB TYR A 51 5.229 10.298 7.504 1.00 0.00 C ATOM 797 CG TYR A 51 6.584 10.922 7.250 1.00 0.00 C ATOM 798 CD1 TYR A 51 7.236 11.641 8.244 1.00 0.00 C ATOM 799 CD2 TYR A 51 7.208 10.794 6.016 1.00 0.00 C ATOM 800 CE1 TYR A 51 8.472 12.213 8.015 1.00 0.00 C ATOM 801 CE2 TYR A 51 8.446 11.363 5.780 1.00 0.00 C ATOM 802 CZ TYR A 51 9.073 12.072 6.782 1.00 0.00 C ATOM 803 OH TYR A 51 10.303 12.641 6.551 1.00 0.00 O ATOM 0 H TYR A 51 3.145 9.451 8.492 1.00 0.00 H new ATOM 0 HA TYR A 51 4.776 11.644 9.121 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.364 9.376 8.070 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.781 10.024 6.549 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.769 11.754 9.211 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.718 10.241 5.228 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.966 12.769 8.799 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.919 11.252 4.816 1.00 0.00 H new ATOM 0 HH TYR A 51 10.586 12.447 5.633 1.00 0.00 H new ATOM 813 N TYR A 52 2.948 12.016 6.392 1.00 0.00 N ATOM 814 CA TYR A 52 2.432 13.011 5.461 1.00 0.00 C ATOM 815 C TYR A 52 1.610 14.060 6.201 1.00 0.00 C ATOM 816 O TYR A 52 1.578 15.227 5.809 1.00 0.00 O ATOM 817 CB TYR A 52 1.594 12.340 4.371 1.00 0.00 C ATOM 818 CG TYR A 52 2.362 12.101 3.090 1.00 0.00 C ATOM 819 CD1 TYR A 52 2.558 13.127 2.173 1.00 0.00 C ATOM 820 CD2 TYR A 52 2.899 10.852 2.800 1.00 0.00 C ATOM 821 CE1 TYR A 52 3.267 12.916 1.006 1.00 0.00 C ATOM 822 CE2 TYR A 52 3.608 10.634 1.635 1.00 0.00 C ATOM 823 CZ TYR A 52 3.790 11.668 0.742 1.00 0.00 C ATOM 824 OH TYR A 52 4.498 11.455 -0.418 1.00 0.00 O ATOM 0 H TYR A 52 2.601 11.070 6.235 1.00 0.00 H new ATOM 0 HA TYR A 52 3.277 13.510 4.986 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.219 11.387 4.745 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.725 12.962 4.155 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.149 14.106 2.376 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.760 10.039 3.497 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.411 13.724 0.304 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.018 9.657 1.425 1.00 0.00 H new ATOM 0 HH TYR A 52 3.952 11.720 -1.188 1.00 0.00 H new ATOM 834 N ARG A 53 0.954 13.636 7.277 1.00 0.00 N ATOM 835 CA ARG A 53 0.138 14.540 8.083 1.00 0.00 C ATOM 836 C ARG A 53 0.935 15.781 8.480 1.00 0.00 C ATOM 837 O ARG A 53 0.400 16.888 8.522 1.00 0.00 O ATOM 838 CB ARG A 53 -0.369 13.822 9.336 1.00 0.00 C ATOM 839 CG ARG A 53 -1.885 13.703 9.396 1.00 0.00 C ATOM 840 CD ARG A 53 -2.331 12.253 9.489 1.00 0.00 C ATOM 841 NE ARG A 53 -3.054 11.824 8.294 1.00 0.00 N ATOM 842 CZ ARG A 53 -4.370 11.956 8.132 1.00 0.00 C ATOM 843 NH1 ARG A 53 -5.110 12.527 9.074 1.00 0.00 N ATOM 844 NH2 ARG A 53 -4.947 11.519 7.020 1.00 0.00 N ATOM 0 H ARG A 53 0.971 12.673 7.611 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.716 14.854 7.483 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.068 12.824 9.375 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.019 14.358 10.219 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.260 14.255 10.258 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.322 14.162 8.509 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.460 11.614 9.634 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.969 12.125 10.364 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.519 11.397 7.538 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.672 12.869 9.930 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.117 12.624 8.943 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.383 11.083 6.290 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.954 11.619 6.895 1.00 0.00 H new ATOM 858 N GLN A 54 2.216 15.585 8.777 1.00 0.00 N ATOM 859 CA GLN A 54 3.090 16.682 9.175 1.00 0.00 C ATOM 860 C GLN A 54 3.733 17.353 7.960 1.00 0.00 C ATOM 861 O GLN A 54 4.174 18.499 8.036 1.00 0.00 O ATOM 862 CB GLN A 54 4.179 16.166 10.119 1.00 0.00 C ATOM 863 CG GLN A 54 3.847 16.352 11.591 1.00 0.00 C ATOM 864 CD GLN A 54 4.728 15.512 12.496 1.00 0.00 C ATOM 865 OE1 GLN A 54 5.783 15.034 12.083 1.00 0.00 O ATOM 866 NE2 GLN A 54 4.298 15.330 13.739 1.00 0.00 N ATOM 0 H GLN A 54 2.672 14.673 8.749 1.00 0.00 H new ATOM 0 HA GLN A 54 2.482 17.426 9.690 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.345 15.107 9.924 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.114 16.681 9.898 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.958 17.404 11.855 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.803 16.090 11.761 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.416 15.745 14.040 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.850 14.775 14.393 1.00 0.00 H new ATOM 875 N GLN A 55 3.793 16.628 6.842 1.00 0.00 N ATOM 876 CA GLN A 55 4.395 17.155 5.618 1.00 0.00 C ATOM 877 C GLN A 55 3.368 17.876 4.745 1.00 0.00 C ATOM 878 O GLN A 55 3.477 17.877 3.519 1.00 0.00 O ATOM 879 CB GLN A 55 5.048 16.023 4.818 1.00 0.00 C ATOM 880 CG GLN A 55 6.415 16.385 4.262 1.00 0.00 C ATOM 881 CD GLN A 55 7.499 16.378 5.322 1.00 0.00 C ATOM 882 OE1 GLN A 55 7.280 16.807 6.455 1.00 0.00 O ATOM 883 NE2 GLN A 55 8.679 15.890 4.957 1.00 0.00 N ATOM 0 H GLN A 55 3.433 15.677 6.759 1.00 0.00 H new ATOM 0 HA GLN A 55 5.154 17.879 5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.145 15.146 5.458 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.391 15.745 3.994 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.680 15.681 3.473 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.366 17.373 3.804 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.816 15.545 4.007 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.448 15.860 5.627 1.00 0.00 H new ATOM 892 N VAL A 56 2.372 18.487 5.377 1.00 0.00 N ATOM 893 CA VAL A 56 1.335 19.203 4.647 1.00 0.00 C ATOM 894 C VAL A 56 1.912 20.447 3.949 1.00 0.00 C ATOM 895 O VAL A 56 2.702 20.300 3.021 1.00 0.00 O ATOM 896 CB VAL A 56 0.167 19.586 5.580 1.00 0.00 C ATOM 897 CG1 VAL A 56 -0.998 20.152 4.781 1.00 0.00 C ATOM 898 CG2 VAL A 56 -0.274 18.382 6.402 1.00 0.00 C ATOM 0 H VAL A 56 2.262 18.500 6.391 1.00 0.00 H new ATOM 0 HA VAL A 56 0.945 18.536 3.878 1.00 0.00 H new ATOM 0 HB VAL A 56 0.513 20.360 6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.810 20.415 5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.672 21.042 4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.348 19.405 4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.098 18.669 7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.601 17.585 5.734 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.561 18.029 7.007 1.00 0.00 H new ATOM 908 N THR A 57 1.523 21.654 4.413 1.00 0.00 N ATOM 909 CA THR A 57 1.988 22.945 3.866 1.00 0.00 C ATOM 910 C THR A 57 0.807 23.834 3.495 1.00 0.00 C ATOM 911 O THR A 57 0.881 25.059 3.610 1.00 0.00 O ATOM 912 CB THR A 57 2.908 22.799 2.643 1.00 0.00 C ATOM 913 OG1 THR A 57 2.351 21.921 1.680 1.00 0.00 O ATOM 914 CG2 THR A 57 4.297 22.304 2.989 1.00 0.00 C ATOM 0 H THR A 57 0.869 21.759 5.188 1.00 0.00 H new ATOM 0 HA THR A 57 2.573 23.404 4.663 1.00 0.00 H new ATOM 0 HB THR A 57 2.996 23.806 2.236 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.566 20.995 1.919 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.892 22.224 2.079 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.773 23.006 3.674 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.227 21.325 3.463 1.00 0.00 H new ATOM 922 N GLY A 58 -0.279 23.219 3.039 1.00 0.00 N ATOM 923 CA GLY A 58 -1.451 23.981 2.649 1.00 0.00 C ATOM 924 C GLY A 58 -2.446 24.164 3.780 1.00 0.00 C ATOM 925 O GLY A 58 -2.210 23.722 4.904 1.00 0.00 O ATOM 0 H GLY A 58 -0.369 22.209 2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.137 24.960 2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.944 23.478 1.817 1.00 0.00 H new ATOM 929 N GLU A 59 -3.560 24.823 3.472 1.00 0.00 N ATOM 930 CA GLU A 59 -4.609 25.081 4.454 1.00 0.00 C ATOM 931 C GLU A 59 -5.371 23.798 4.792 1.00 0.00 C ATOM 932 O GLU A 59 -5.159 22.762 4.162 1.00 0.00 O ATOM 933 CB GLU A 59 -5.568 26.143 3.912 1.00 0.00 C ATOM 934 CG GLU A 59 -5.371 27.513 4.538 1.00 0.00 C ATOM 935 CD GLU A 59 -4.159 28.237 3.982 1.00 0.00 C ATOM 936 OE1 GLU A 59 -4.110 28.455 2.753 1.00 0.00 O ATOM 937 OE2 GLU A 59 -3.259 28.584 4.776 1.00 0.00 O ATOM 0 H GLU A 59 -3.760 25.191 2.542 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.147 25.446 5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.437 26.223 2.833 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.594 25.817 4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.261 28.118 4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.262 27.404 5.617 1.00 0.00 H new ATOM 944 N PRO A 60 -6.271 23.843 5.797 1.00 0.00 N ATOM 945 CA PRO A 60 -7.054 22.678 6.211 1.00 0.00 C ATOM 946 C PRO A 60 -7.633 21.911 5.029 1.00 0.00 C ATOM 947 O PRO A 60 -7.709 20.683 5.060 1.00 0.00 O ATOM 948 CB PRO A 60 -8.177 23.264 7.080 1.00 0.00 C ATOM 949 CG PRO A 60 -8.016 24.752 7.025 1.00 0.00 C ATOM 950 CD PRO A 60 -6.596 25.017 6.615 1.00 0.00 C ATOM 0 HA PRO A 60 -6.435 21.954 6.741 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.156 22.964 6.705 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.104 22.902 8.106 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.713 25.191 6.311 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.229 25.201 7.995 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.505 25.943 6.048 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.935 25.105 7.478 1.00 0.00 H new ATOM 958 N GLN A 61 -8.028 22.625 3.979 1.00 0.00 N ATOM 959 CA GLN A 61 -8.577 21.973 2.800 1.00 0.00 C ATOM 960 C GLN A 61 -7.467 21.237 2.061 1.00 0.00 C ATOM 961 O GLN A 61 -7.609 20.067 1.708 1.00 0.00 O ATOM 962 CB GLN A 61 -9.253 22.991 1.876 1.00 0.00 C ATOM 963 CG GLN A 61 -8.377 24.181 1.515 1.00 0.00 C ATOM 964 CD GLN A 61 -7.805 24.078 0.115 1.00 0.00 C ATOM 965 OE1 GLN A 61 -7.543 22.982 -0.383 1.00 0.00 O ATOM 966 NE2 GLN A 61 -7.609 25.223 -0.530 1.00 0.00 N ATOM 0 H GLN A 61 -7.978 23.642 3.922 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.334 21.256 3.117 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.558 22.487 0.959 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.161 23.355 2.357 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.962 25.097 1.598 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.560 24.258 2.233 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.840 26.108 -0.079 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.227 25.217 -1.476 1.00 0.00 H new ATOM 975 N GLU A 62 -6.353 21.930 1.846 1.00 0.00 N ATOM 976 CA GLU A 62 -5.207 21.344 1.168 1.00 0.00 C ATOM 977 C GLU A 62 -4.666 20.164 1.968 1.00 0.00 C ATOM 978 O GLU A 62 -4.175 19.189 1.400 1.00 0.00 O ATOM 979 CB GLU A 62 -4.113 22.396 0.970 1.00 0.00 C ATOM 980 CG GLU A 62 -3.953 22.845 -0.474 1.00 0.00 C ATOM 981 CD GLU A 62 -2.856 22.093 -1.200 1.00 0.00 C ATOM 982 OE1 GLU A 62 -3.090 20.929 -1.590 1.00 0.00 O ATOM 983 OE2 GLU A 62 -1.761 22.667 -1.378 1.00 0.00 O ATOM 0 H GLU A 62 -6.222 22.900 2.133 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.527 20.985 0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.340 23.264 1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.164 21.992 1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.896 22.703 -1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.733 23.912 -0.496 1.00 0.00 H new ATOM 990 N ARG A 63 -4.771 20.256 3.292 1.00 0.00 N ATOM 991 CA ARG A 63 -4.303 19.189 4.167 1.00 0.00 C ATOM 992 C ARG A 63 -5.269 18.012 4.113 1.00 0.00 C ATOM 993 O ARG A 63 -4.876 16.883 3.821 1.00 0.00 O ATOM 994 CB ARG A 63 -4.172 19.707 5.607 1.00 0.00 C ATOM 995 CG ARG A 63 -3.939 18.616 6.642 1.00 0.00 C ATOM 996 CD ARG A 63 -3.513 19.191 7.987 1.00 0.00 C ATOM 997 NE ARG A 63 -2.288 19.984 7.887 1.00 0.00 N ATOM 998 CZ ARG A 63 -1.532 20.315 8.932 1.00 0.00 C ATOM 999 NH1 ARG A 63 -1.872 19.927 10.156 1.00 0.00 N ATOM 1000 NH2 ARG A 63 -0.433 21.035 8.754 1.00 0.00 N ATOM 0 H ARG A 63 -5.175 21.056 3.779 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.323 18.854 3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.347 20.418 5.652 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.078 20.253 5.869 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.852 18.035 6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.172 17.931 6.281 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.315 19.813 8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.360 18.377 8.696 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.996 20.302 6.963 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.716 19.373 10.299 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.289 20.184 10.953 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.166 21.336 7.816 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.146 21.288 9.555 1.00 0.00 H new ATOM 1014 N ASP A 64 -6.536 18.288 4.401 1.00 0.00 N ATOM 1015 CA ASP A 64 -7.562 17.255 4.390 1.00 0.00 C ATOM 1016 C ASP A 64 -7.644 16.574 3.026 1.00 0.00 C ATOM 1017 O ASP A 64 -7.872 15.368 2.938 1.00 0.00 O ATOM 1018 CB ASP A 64 -8.922 17.854 4.755 1.00 0.00 C ATOM 1019 CG ASP A 64 -9.221 17.748 6.238 1.00 0.00 C ATOM 1020 OD1 ASP A 64 -8.820 18.660 6.991 1.00 0.00 O ATOM 1021 OD2 ASP A 64 -9.857 16.754 6.645 1.00 0.00 O ATOM 0 H ASP A 64 -6.876 19.218 4.645 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.289 16.504 5.132 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.946 18.902 4.456 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.704 17.344 4.192 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.458 17.352 1.964 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.514 16.815 0.607 1.00 0.00 C ATOM 1028 C LYS A 65 -6.280 15.977 0.296 1.00 0.00 C ATOM 1029 O LYS A 65 -6.385 14.870 -0.228 1.00 0.00 O ATOM 1030 CB LYS A 65 -7.651 17.948 -0.411 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.091 17.474 -1.788 1.00 0.00 C ATOM 1032 CD LYS A 65 -9.332 18.212 -2.268 1.00 0.00 C ATOM 1033 CE LYS A 65 -10.601 17.624 -1.669 1.00 0.00 C ATOM 1034 NZ LYS A 65 -11.638 17.366 -2.706 1.00 0.00 N ATOM 0 H LYS A 65 -7.268 18.353 2.015 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.390 16.170 0.538 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.372 18.676 -0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.695 18.463 -0.501 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.280 17.624 -2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.294 16.403 -1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.256 19.265 -1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.386 18.164 -3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.362 16.693 -1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.999 18.308 -0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.486 16.966 -2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.885 18.258 -3.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.268 16.693 -3.407 1.00 0.00 H new ATOM 1048 N ALA A 66 -5.111 16.511 0.620 1.00 0.00 N ATOM 1049 CA ALA A 66 -3.858 15.806 0.373 1.00 0.00 C ATOM 1050 C ALA A 66 -3.804 14.506 1.166 1.00 0.00 C ATOM 1051 O ALA A 66 -3.362 13.471 0.660 1.00 0.00 O ATOM 1052 CB ALA A 66 -2.671 16.690 0.728 1.00 0.00 C ATOM 0 H ALA A 66 -5.002 17.428 1.054 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.808 15.563 -0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.744 16.149 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.695 17.593 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.722 16.962 1.782 1.00 0.00 H new ATOM 1058 N LEU A 67 -4.256 14.570 2.411 1.00 0.00 N ATOM 1059 CA LEU A 67 -4.263 13.405 3.285 1.00 0.00 C ATOM 1060 C LEU A 67 -5.258 12.357 2.799 1.00 0.00 C ATOM 1061 O LEU A 67 -4.967 11.161 2.816 1.00 0.00 O ATOM 1062 CB LEU A 67 -4.596 13.821 4.719 1.00 0.00 C ATOM 1063 CG LEU A 67 -3.386 14.161 5.592 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -2.390 13.013 5.598 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.721 15.439 5.106 1.00 0.00 C ATOM 0 H LEU A 67 -4.624 15.419 2.839 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.267 12.963 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.256 14.688 4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.153 13.014 5.195 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.734 14.319 6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.537 13.275 6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.869 12.117 5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.048 12.823 4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.863 15.666 5.738 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.389 15.307 4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.435 16.262 5.154 1.00 0.00 H new ATOM 1077 N GLN A 68 -6.435 12.805 2.368 1.00 0.00 N ATOM 1078 CA GLN A 68 -7.461 11.887 1.885 1.00 0.00 C ATOM 1079 C GLN A 68 -7.049 11.268 0.553 1.00 0.00 C ATOM 1080 O GLN A 68 -7.387 10.121 0.260 1.00 0.00 O ATOM 1081 CB GLN A 68 -8.814 12.603 1.759 1.00 0.00 C ATOM 1082 CG GLN A 68 -8.980 13.425 0.487 1.00 0.00 C ATOM 1083 CD GLN A 68 -10.015 12.839 -0.456 1.00 0.00 C ATOM 1084 OE1 GLN A 68 -9.888 11.699 -0.904 1.00 0.00 O ATOM 1085 NE2 GLN A 68 -11.047 13.618 -0.761 1.00 0.00 N ATOM 0 H GLN A 68 -6.700 13.790 2.344 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.569 11.083 2.613 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.609 11.859 1.802 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.945 13.259 2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.269 14.442 0.751 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.021 13.490 -0.027 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.112 14.556 -0.366 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.775 13.278 -1.390 1.00 0.00 H new ATOM 1094 N GLU A 69 -6.307 12.029 -0.244 1.00 0.00 N ATOM 1095 CA GLU A 69 -5.842 11.543 -1.536 1.00 0.00 C ATOM 1096 C GLU A 69 -4.757 10.494 -1.343 1.00 0.00 C ATOM 1097 O GLU A 69 -4.687 9.508 -2.078 1.00 0.00 O ATOM 1098 CB GLU A 69 -5.313 12.698 -2.389 1.00 0.00 C ATOM 1099 CG GLU A 69 -5.441 12.457 -3.885 1.00 0.00 C ATOM 1100 CD GLU A 69 -6.220 13.551 -4.589 1.00 0.00 C ATOM 1101 OE1 GLU A 69 -7.413 13.732 -4.267 1.00 0.00 O ATOM 1102 OE2 GLU A 69 -5.637 14.228 -5.462 1.00 0.00 O ATOM 0 H GLU A 69 -6.016 12.980 -0.019 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.685 11.088 -2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.853 13.608 -2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.264 12.868 -2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.446 12.385 -4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.934 11.499 -4.054 1.00 0.00 H new ATOM 1109 N LEU A 70 -3.921 10.703 -0.335 1.00 0.00 N ATOM 1110 CA LEU A 70 -2.856 9.761 -0.033 1.00 0.00 C ATOM 1111 C LEU A 70 -3.456 8.438 0.427 1.00 0.00 C ATOM 1112 O LEU A 70 -3.112 7.373 -0.084 1.00 0.00 O ATOM 1113 CB LEU A 70 -1.931 10.327 1.047 1.00 0.00 C ATOM 1114 CG LEU A 70 -0.460 9.933 0.914 1.00 0.00 C ATOM 1115 CD1 LEU A 70 -0.312 8.419 0.905 1.00 0.00 C ATOM 1116 CD2 LEU A 70 0.142 10.536 -0.347 1.00 0.00 C ATOM 0 H LEU A 70 -3.960 11.513 0.284 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.267 9.592 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.002 11.415 1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.292 9.998 2.021 1.00 0.00 H new ATOM 0 HG LEU A 70 0.081 10.326 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.742 8.157 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.705 8.009 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.867 8.004 0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.190 10.245 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.402 10.173 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.070 11.623 -0.301 1.00 0.00 H new ATOM 1128 N ARG A 71 -4.354 8.517 1.406 1.00 0.00 N ATOM 1129 CA ARG A 71 -5.004 7.333 1.950 1.00 0.00 C ATOM 1130 C ARG A 71 -5.737 6.547 0.866 1.00 0.00 C ATOM 1131 O ARG A 71 -5.657 5.319 0.824 1.00 0.00 O ATOM 1132 CB ARG A 71 -5.985 7.728 3.054 1.00 0.00 C ATOM 1133 CG ARG A 71 -6.373 6.572 3.962 1.00 0.00 C ATOM 1134 CD ARG A 71 -7.860 6.585 4.276 1.00 0.00 C ATOM 1135 NE ARG A 71 -8.255 5.449 5.105 1.00 0.00 N ATOM 1136 CZ ARG A 71 -9.410 5.377 5.763 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -10.288 6.370 5.687 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -9.688 4.309 6.499 1.00 0.00 N ATOM 0 H ARG A 71 -4.647 9.393 1.838 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.227 6.692 2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.541 8.520 3.657 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.885 8.140 2.599 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.109 5.628 3.484 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.804 6.630 4.890 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.114 7.513 4.788 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.427 6.569 3.345 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.608 4.665 5.184 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.079 7.193 5.122 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.171 6.309 6.193 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.017 3.543 6.561 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.573 4.253 7.003 1.00 0.00 H new ATOM 1152 N GLN A 72 -6.456 7.250 -0.007 1.00 0.00 N ATOM 1153 CA GLN A 72 -7.196 6.583 -1.073 1.00 0.00 C ATOM 1154 C GLN A 72 -6.239 5.883 -2.034 1.00 0.00 C ATOM 1155 O GLN A 72 -6.507 4.770 -2.492 1.00 0.00 O ATOM 1156 CB GLN A 72 -8.086 7.580 -1.825 1.00 0.00 C ATOM 1157 CG GLN A 72 -7.321 8.546 -2.712 1.00 0.00 C ATOM 1158 CD GLN A 72 -8.231 9.353 -3.618 1.00 0.00 C ATOM 1159 OE1 GLN A 72 -8.364 9.057 -4.806 1.00 0.00 O ATOM 1160 NE2 GLN A 72 -8.863 10.379 -3.061 1.00 0.00 N ATOM 0 H GLN A 72 -6.541 8.266 0.002 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.840 5.829 -0.620 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.797 7.026 -2.438 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.667 8.151 -1.100 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.741 9.226 -2.087 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.610 7.988 -3.321 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.723 10.588 -2.073 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.488 10.958 -3.622 1.00 0.00 H new ATOM 1169 N GLU A 73 -5.116 6.532 -2.325 1.00 0.00 N ATOM 1170 CA GLU A 73 -4.118 5.960 -3.221 1.00 0.00 C ATOM 1171 C GLU A 73 -3.514 4.697 -2.614 1.00 0.00 C ATOM 1172 O GLU A 73 -3.301 3.701 -3.305 1.00 0.00 O ATOM 1173 CB GLU A 73 -3.017 6.980 -3.510 1.00 0.00 C ATOM 1174 CG GLU A 73 -3.440 8.073 -4.478 1.00 0.00 C ATOM 1175 CD GLU A 73 -3.736 7.544 -5.868 1.00 0.00 C ATOM 1176 OE1 GLU A 73 -3.571 6.325 -6.089 1.00 0.00 O ATOM 1177 OE2 GLU A 73 -4.133 8.349 -6.737 1.00 0.00 O ATOM 0 H GLU A 73 -4.875 7.451 -1.955 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.609 5.696 -4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.702 7.438 -2.572 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.150 6.461 -3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.326 8.574 -4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.651 8.823 -4.540 1.00 0.00 H new ATOM 1184 N LEU A 74 -3.233 4.746 -1.316 1.00 0.00 N ATOM 1185 CA LEU A 74 -2.650 3.607 -0.618 1.00 0.00 C ATOM 1186 C LEU A 74 -3.618 2.434 -0.580 1.00 0.00 C ATOM 1187 O LEU A 74 -3.225 1.300 -0.817 1.00 0.00 O ATOM 1188 CB LEU A 74 -2.244 4.006 0.801 1.00 0.00 C ATOM 1189 CG LEU A 74 -1.159 5.081 0.882 1.00 0.00 C ATOM 1190 CD1 LEU A 74 -1.013 5.588 2.309 1.00 0.00 C ATOM 1191 CD2 LEU A 74 0.166 4.541 0.365 1.00 0.00 C ATOM 0 H LEU A 74 -3.400 5.562 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.761 3.294 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.128 4.362 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.895 3.117 1.327 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.457 5.919 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.236 6.352 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.959 6.016 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.739 4.760 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.926 5.319 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.470 3.685 0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.052 4.231 -0.674 1.00 0.00 H new ATOM 1203 N ASN A 75 -4.877 2.700 -0.263 1.00 0.00 N ATOM 1204 CA ASN A 75 -5.871 1.636 -0.193 1.00 0.00 C ATOM 1205 C ASN A 75 -6.082 0.994 -1.560 1.00 0.00 C ATOM 1206 O ASN A 75 -6.293 -0.215 -1.660 1.00 0.00 O ATOM 1207 CB ASN A 75 -7.197 2.173 0.350 1.00 0.00 C ATOM 1208 CG ASN A 75 -7.701 1.377 1.538 1.00 0.00 C ATOM 1209 OD1 ASN A 75 -7.943 0.175 1.438 1.00 0.00 O ATOM 1210 ND2 ASN A 75 -7.862 2.048 2.673 1.00 0.00 N ATOM 0 H ASN A 75 -5.233 3.632 -0.052 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.497 0.873 0.489 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.071 3.216 0.642 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.946 2.152 -0.442 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.199 1.566 3.507 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.649 3.045 2.711 1.00 0.00 H new ATOM 1217 N THR A 76 -6.016 1.802 -2.610 1.00 0.00 N ATOM 1218 CA THR A 76 -6.194 1.289 -3.962 1.00 0.00 C ATOM 1219 C THR A 76 -4.900 0.637 -4.459 1.00 0.00 C ATOM 1220 O THR A 76 -4.930 -0.246 -5.317 1.00 0.00 O ATOM 1221 CB THR A 76 -6.668 2.401 -4.909 1.00 0.00 C ATOM 1222 OG1 THR A 76 -7.352 1.853 -6.021 1.00 0.00 O ATOM 1223 CG2 THR A 76 -5.558 3.277 -5.448 1.00 0.00 C ATOM 0 H THR A 76 -5.842 2.806 -2.553 1.00 0.00 H new ATOM 0 HA THR A 76 -6.969 0.523 -3.946 1.00 0.00 H new ATOM 0 HB THR A 76 -7.321 3.023 -4.296 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.648 2.577 -6.612 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.980 4.035 -6.107 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.043 3.763 -4.619 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.850 2.665 -6.006 1.00 0.00 H new ATOM 1231 N LEU A 77 -3.770 1.072 -3.904 1.00 0.00 N ATOM 1232 CA LEU A 77 -2.466 0.524 -4.275 1.00 0.00 C ATOM 1233 C LEU A 77 -2.213 -0.799 -3.559 1.00 0.00 C ATOM 1234 O LEU A 77 -1.734 -1.762 -4.159 1.00 0.00 O ATOM 1235 CB LEU A 77 -1.354 1.515 -3.915 1.00 0.00 C ATOM 1236 CG LEU A 77 -1.081 2.627 -4.938 1.00 0.00 C ATOM 1237 CD1 LEU A 77 0.242 2.387 -5.651 1.00 0.00 C ATOM 1238 CD2 LEU A 77 -2.214 2.743 -5.948 1.00 0.00 C ATOM 0 H LEU A 77 -3.731 1.804 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.466 0.351 -5.351 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.605 1.980 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.431 0.955 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.019 3.569 -4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.417 3.186 -6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.051 2.373 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.206 1.430 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.989 3.539 -6.657 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.322 1.800 -6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.143 2.973 -5.427 1.00 0.00 H new ATOM 1250 N ALA A 78 -2.534 -0.833 -2.269 1.00 0.00 N ATOM 1251 CA ALA A 78 -2.339 -2.034 -1.460 1.00 0.00 C ATOM 1252 C ALA A 78 -3.418 -3.078 -1.736 1.00 0.00 C ATOM 1253 O ALA A 78 -3.248 -4.256 -1.420 1.00 0.00 O ATOM 1254 CB ALA A 78 -2.318 -1.676 0.019 1.00 0.00 C ATOM 0 H ALA A 78 -2.931 -0.043 -1.760 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.378 -2.468 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.172 -2.580 0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.502 -0.980 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.265 -1.211 0.294 1.00 0.00 H new ATOM 1260 N ASN A 79 -4.537 -2.638 -2.301 1.00 0.00 N ATOM 1261 CA ASN A 79 -5.649 -3.539 -2.584 1.00 0.00 C ATOM 1262 C ASN A 79 -5.215 -4.672 -3.515 1.00 0.00 C ATOM 1263 O ASN A 79 -5.387 -5.845 -3.184 1.00 0.00 O ATOM 1264 CB ASN A 79 -6.813 -2.762 -3.208 1.00 0.00 C ATOM 1265 CG ASN A 79 -8.067 -2.816 -2.358 1.00 0.00 C ATOM 1266 OD1 ASN A 79 -9.013 -3.539 -2.671 1.00 0.00 O ATOM 1267 ND2 ASN A 79 -8.081 -2.048 -1.274 1.00 0.00 N ATOM 0 H ASN A 79 -4.698 -1.668 -2.571 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.977 -3.979 -1.642 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.518 -1.722 -3.349 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.029 -3.169 -4.196 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.898 -2.042 -0.663 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -7.275 -1.464 -1.052 1.00 0.00 H new ATOM 1274 N PRO A 80 -4.638 -4.351 -4.683 1.00 0.00 N ATOM 1275 CA PRO A 80 -4.182 -5.374 -5.630 1.00 0.00 C ATOM 1276 C PRO A 80 -3.036 -6.210 -5.063 1.00 0.00 C ATOM 1277 O PRO A 80 -2.900 -7.392 -5.378 1.00 0.00 O ATOM 1278 CB PRO A 80 -3.709 -4.564 -6.843 1.00 0.00 C ATOM 1279 CG PRO A 80 -3.426 -3.201 -6.314 1.00 0.00 C ATOM 1280 CD PRO A 80 -4.380 -2.985 -5.173 1.00 0.00 C ATOM 0 HA PRO A 80 -4.970 -6.089 -5.868 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.818 -5.006 -7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -4.473 -4.534 -7.620 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.392 -3.122 -5.977 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.568 -2.446 -7.088 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.944 -2.355 -4.398 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.297 -2.496 -5.502 1.00 0.00 H new ATOM 1288 N PHE A 81 -2.210 -5.581 -4.231 1.00 0.00 N ATOM 1289 CA PHE A 81 -1.069 -6.255 -3.623 1.00 0.00 C ATOM 1290 C PHE A 81 -1.526 -7.265 -2.574 1.00 0.00 C ATOM 1291 O PHE A 81 -0.998 -8.374 -2.492 1.00 0.00 O ATOM 1292 CB PHE A 81 -0.130 -5.218 -2.991 1.00 0.00 C ATOM 1293 CG PHE A 81 0.920 -5.796 -2.075 1.00 0.00 C ATOM 1294 CD1 PHE A 81 1.402 -7.083 -2.259 1.00 0.00 C ATOM 1295 CD2 PHE A 81 1.426 -5.041 -1.030 1.00 0.00 C ATOM 1296 CE1 PHE A 81 2.367 -7.603 -1.418 1.00 0.00 C ATOM 1297 CE2 PHE A 81 2.392 -5.555 -0.188 1.00 0.00 C ATOM 1298 CZ PHE A 81 2.863 -6.837 -0.381 1.00 0.00 C ATOM 0 H PHE A 81 -2.311 -4.602 -3.963 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.532 -6.798 -4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.367 -4.664 -3.788 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.728 -4.501 -2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.019 -7.686 -3.069 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.060 -4.037 -0.872 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.733 -8.607 -1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.779 -4.954 0.621 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.618 -7.241 0.277 1.00 0.00 H new ATOM 1308 N LEU A 82 -2.503 -6.871 -1.771 1.00 0.00 N ATOM 1309 CA LEU A 82 -3.019 -7.737 -0.722 1.00 0.00 C ATOM 1310 C LEU A 82 -3.832 -8.892 -1.301 1.00 0.00 C ATOM 1311 O LEU A 82 -3.728 -10.026 -0.831 1.00 0.00 O ATOM 1312 CB LEU A 82 -3.870 -6.926 0.259 1.00 0.00 C ATOM 1313 CG LEU A 82 -4.354 -7.694 1.490 1.00 0.00 C ATOM 1314 CD1 LEU A 82 -4.846 -6.732 2.561 1.00 0.00 C ATOM 1315 CD2 LEU A 82 -5.450 -8.670 1.099 1.00 0.00 C ATOM 0 H LEU A 82 -2.954 -5.958 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.169 -8.164 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.290 -6.065 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.739 -6.539 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.517 -8.259 1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.186 -7.297 3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.033 -6.069 2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.672 -6.140 2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.787 -9.211 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.288 -8.122 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.063 -9.378 0.366 1.00 0.00 H new ATOM 1327 N ALA A 83 -4.630 -8.611 -2.325 1.00 0.00 N ATOM 1328 CA ALA A 83 -5.441 -9.646 -2.955 1.00 0.00 C ATOM 1329 C ALA A 83 -4.574 -10.547 -3.824 1.00 0.00 C ATOM 1330 O ALA A 83 -4.824 -11.747 -3.944 1.00 0.00 O ATOM 1331 CB ALA A 83 -6.556 -9.021 -3.780 1.00 0.00 C ATOM 0 H ALA A 83 -4.733 -7.682 -2.734 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.893 -10.255 -2.172 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.151 -9.808 -4.243 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.193 -8.417 -3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.124 -8.389 -4.556 1.00 0.00 H new ATOM 1337 N LYS A 84 -3.544 -9.961 -4.419 1.00 0.00 N ATOM 1338 CA LYS A 84 -2.634 -10.714 -5.263 1.00 0.00 C ATOM 1339 C LYS A 84 -1.828 -11.692 -4.422 1.00 0.00 C ATOM 1340 O LYS A 84 -1.585 -12.828 -4.832 1.00 0.00 O ATOM 1341 CB LYS A 84 -1.694 -9.768 -6.015 1.00 0.00 C ATOM 1342 CG LYS A 84 -0.683 -10.485 -6.895 1.00 0.00 C ATOM 1343 CD LYS A 84 0.394 -9.536 -7.395 1.00 0.00 C ATOM 1344 CE LYS A 84 1.312 -9.088 -6.269 1.00 0.00 C ATOM 1345 NZ LYS A 84 1.659 -7.644 -6.379 1.00 0.00 N ATOM 0 H LYS A 84 -3.320 -8.970 -4.332 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.220 -11.274 -5.992 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.288 -9.095 -6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.160 -9.150 -5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.221 -11.297 -6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.195 -10.936 -7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.982 -10.028 -8.170 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.073 -8.664 -7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.828 -9.273 -5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.225 -9.683 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.286 -7.377 -5.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.143 -7.471 -7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.790 -7.074 -6.337 1.00 0.00 H new ATOM 1359 N TYR A 85 -1.413 -11.248 -3.237 1.00 0.00 N ATOM 1360 CA TYR A 85 -0.635 -12.097 -2.352 1.00 0.00 C ATOM 1361 C TYR A 85 -1.483 -13.215 -1.766 1.00 0.00 C ATOM 1362 O TYR A 85 -1.080 -14.376 -1.775 1.00 0.00 O ATOM 1363 CB TYR A 85 0.007 -11.282 -1.230 1.00 0.00 C ATOM 1364 CG TYR A 85 1.348 -11.828 -0.808 1.00 0.00 C ATOM 1365 CD1 TYR A 85 2.306 -12.150 -1.759 1.00 0.00 C ATOM 1366 CD2 TYR A 85 1.656 -12.030 0.530 1.00 0.00 C ATOM 1367 CE1 TYR A 85 3.535 -12.659 -1.391 1.00 0.00 C ATOM 1368 CE2 TYR A 85 2.884 -12.539 0.909 1.00 0.00 C ATOM 1369 CZ TYR A 85 3.821 -12.851 -0.057 1.00 0.00 C ATOM 1370 OH TYR A 85 5.045 -13.359 0.313 1.00 0.00 O ATOM 0 H TYR A 85 -1.603 -10.314 -2.875 1.00 0.00 H new ATOM 0 HA TYR A 85 0.156 -12.547 -2.952 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.127 -10.250 -1.559 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.662 -11.267 -0.369 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.086 -12.000 -2.806 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.925 -11.786 1.287 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.268 -12.905 -2.145 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.110 -12.692 1.954 1.00 0.00 H new ATOM 0 HH TYR A 85 5.722 -13.093 -0.344 1.00 0.00 H new ATOM 1380 N ARG A 86 -2.658 -12.868 -1.257 1.00 0.00 N ATOM 1381 CA ARG A 86 -3.541 -13.869 -0.669 1.00 0.00 C ATOM 1382 C ARG A 86 -3.864 -14.956 -1.687 1.00 0.00 C ATOM 1383 O ARG A 86 -3.844 -16.142 -1.361 1.00 0.00 O ATOM 1384 CB ARG A 86 -4.822 -13.225 -0.123 1.00 0.00 C ATOM 1385 CG ARG A 86 -5.809 -12.790 -1.192 1.00 0.00 C ATOM 1386 CD ARG A 86 -6.843 -13.869 -1.468 1.00 0.00 C ATOM 1387 NE ARG A 86 -7.665 -14.150 -0.293 1.00 0.00 N ATOM 1388 CZ ARG A 86 -8.588 -13.318 0.181 1.00 0.00 C ATOM 1389 NH1 ARG A 86 -8.813 -12.155 -0.418 1.00 0.00 N ATOM 1390 NH2 ARG A 86 -9.291 -13.650 1.256 1.00 0.00 N ATOM 0 H ARG A 86 -3.019 -11.914 -1.239 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.022 -14.330 0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.315 -13.933 0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.550 -12.357 0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.311 -11.876 -0.875 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.272 -12.556 -2.111 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.483 -13.556 -2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.339 -14.782 -1.785 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.523 -15.036 0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.277 -11.896 -1.246 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.522 -11.521 -0.050 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.124 -14.543 1.719 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.999 -13.012 1.620 1.00 0.00 H new ATOM 1404 N ASP A 87 -4.127 -14.557 -2.928 1.00 0.00 N ATOM 1405 CA ASP A 87 -4.413 -15.521 -3.980 1.00 0.00 C ATOM 1406 C ASP A 87 -3.172 -16.369 -4.237 1.00 0.00 C ATOM 1407 O ASP A 87 -3.261 -17.569 -4.493 1.00 0.00 O ATOM 1408 CB ASP A 87 -4.843 -14.808 -5.264 1.00 0.00 C ATOM 1409 CG ASP A 87 -6.347 -14.642 -5.359 1.00 0.00 C ATOM 1410 OD1 ASP A 87 -7.025 -15.600 -5.786 1.00 0.00 O ATOM 1411 OD2 ASP A 87 -6.848 -13.552 -5.009 1.00 0.00 O ATOM 0 H ASP A 87 -4.148 -13.582 -3.226 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.233 -16.164 -3.660 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.369 -13.828 -5.308 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.488 -15.373 -6.126 1.00 0.00 H new ATOM 1416 N PHE A 88 -2.016 -15.715 -4.185 1.00 0.00 N ATOM 1417 CA PHE A 88 -0.737 -16.373 -4.429 1.00 0.00 C ATOM 1418 C PHE A 88 -0.489 -17.500 -3.427 1.00 0.00 C ATOM 1419 O PHE A 88 -0.157 -18.619 -3.819 1.00 0.00 O ATOM 1420 CB PHE A 88 0.393 -15.333 -4.334 1.00 0.00 C ATOM 1421 CG PHE A 88 1.763 -15.837 -4.720 1.00 0.00 C ATOM 1422 CD1 PHE A 88 2.335 -16.924 -4.071 1.00 0.00 C ATOM 1423 CD2 PHE A 88 2.488 -15.212 -5.728 1.00 0.00 C ATOM 1424 CE1 PHE A 88 3.593 -17.376 -4.420 1.00 0.00 C ATOM 1425 CE2 PHE A 88 3.745 -15.663 -6.079 1.00 0.00 C ATOM 1426 CZ PHE A 88 4.299 -16.746 -5.426 1.00 0.00 C ATOM 0 H PHE A 88 -1.939 -14.720 -3.974 1.00 0.00 H new ATOM 0 HA PHE A 88 -0.760 -16.812 -5.426 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.141 -14.487 -4.973 1.00 0.00 H new ATOM 0 HB3 PHE A 88 0.436 -14.959 -3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.789 -17.422 -3.283 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.063 -14.363 -6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.024 -18.222 -3.906 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.295 -15.168 -6.865 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.282 -17.100 -5.701 1.00 0.00 H new ATOM 1436 N LEU A 89 -0.626 -17.206 -2.136 1.00 0.00 N ATOM 1437 CA LEU A 89 -0.385 -18.213 -1.103 1.00 0.00 C ATOM 1438 C LEU A 89 -1.509 -19.248 -1.006 1.00 0.00 C ATOM 1439 O LEU A 89 -1.281 -20.368 -0.549 1.00 0.00 O ATOM 1440 CB LEU A 89 -0.159 -17.558 0.264 1.00 0.00 C ATOM 1441 CG LEU A 89 -1.049 -16.352 0.580 1.00 0.00 C ATOM 1442 CD1 LEU A 89 -1.831 -16.585 1.865 1.00 0.00 C ATOM 1443 CD2 LEU A 89 -0.208 -15.088 0.691 1.00 0.00 C ATOM 0 H LEU A 89 -0.900 -16.289 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 89 0.519 -18.742 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.312 -18.311 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.883 -17.244 0.328 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.760 -16.226 -0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.457 -15.717 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.460 -17.468 1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.136 -16.737 2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.854 -14.240 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.525 -15.207 1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.309 -14.911 -0.252 1.00 0.00 H new ATOM 1455 N LYS A 90 -2.716 -18.878 -1.414 1.00 0.00 N ATOM 1456 CA LYS A 90 -3.852 -19.798 -1.337 1.00 0.00 C ATOM 1457 C LYS A 90 -3.964 -20.679 -2.579 1.00 0.00 C ATOM 1458 O LYS A 90 -4.395 -21.829 -2.496 1.00 0.00 O ATOM 1459 CB LYS A 90 -5.155 -19.020 -1.143 1.00 0.00 C ATOM 1460 CG LYS A 90 -5.810 -19.262 0.206 1.00 0.00 C ATOM 1461 CD LYS A 90 -5.377 -18.225 1.227 1.00 0.00 C ATOM 1462 CE LYS A 90 -6.510 -17.867 2.174 1.00 0.00 C ATOM 1463 NZ LYS A 90 -6.112 -18.024 3.599 1.00 0.00 N ATOM 0 H LYS A 90 -2.936 -17.959 -1.798 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.679 -20.448 -0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.953 -17.955 -1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.854 -19.296 -1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.894 -19.235 0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.550 -20.258 0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.531 -18.607 1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.035 -17.327 0.712 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.821 -16.838 1.995 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.372 -18.501 1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -6.912 -17.770 4.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.839 -19.012 3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.306 -17.400 3.805 1.00 0.00 H new ATOM 1477 N SER A 91 -3.603 -20.129 -3.732 1.00 0.00 N ATOM 1478 CA SER A 91 -3.694 -20.862 -4.989 1.00 0.00 C ATOM 1479 C SER A 91 -2.590 -21.910 -5.136 1.00 0.00 C ATOM 1480 O SER A 91 -2.873 -23.101 -5.267 1.00 0.00 O ATOM 1481 CB SER A 91 -3.646 -19.888 -6.166 1.00 0.00 C ATOM 1482 OG SER A 91 -4.884 -19.216 -6.323 1.00 0.00 O ATOM 0 H SER A 91 -3.245 -19.178 -3.823 1.00 0.00 H new ATOM 0 HA SER A 91 -4.646 -21.393 -4.984 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.851 -19.160 -6.007 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.404 -20.429 -7.081 1.00 0.00 H new ATOM 0 HG SER A 91 -4.886 -18.402 -5.778 1.00 0.00 H new