USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 954 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 51 GLN : amide:sc= 1.29 K(o=3.6,f=-3.6) USER MOD Set 1.2: A 113 LYS NZ :NH3+ 179:sc= 2.36 (180deg=1.08) USER MOD Set 2.1: A 27 GLN : amide:sc= 0.323 K(o=2.8,f=0.69) USER MOD Set 2.2: A 102 LYS NZ :NH3+ 145:sc= 2.51 (180deg=1.02) USER MOD Set 3.1: A 67 THR OG1 : rot 180:sc= 1.02 USER MOD Set 3.2: A 91 SER OG : rot -150:sc= 1.22 USER MOD Set 4.1: A 36 SER OG : rot -44:sc= 1.97 USER MOD Set 4.2: A 43 SER OG : rot 54:sc= 0.894 USER MOD Set 5.1: A 4 SER OG : rot 49:sc= 1.39 USER MOD Set 5.2: A 9 LYS NZ :NH3+ -156:sc= 2.46 (180deg=0) USER MOD Set 5.3: A 30 GLN : amide:sc= 1.33 K(o=6.2,f=-3.8!) USER MOD Set 5.4: A 34 GLN : amide:sc= 1.05 K(o=6.2,f=-8.8!) USER MOD Set 6.1: A 32 LYS NZ :NH3+ -139:sc= 2.19 (180deg=1.75) USER MOD Set 6.2: A 78 ASN : amide:sc= 0.574 K(o=2.8,f=0.15) USER MOD Set 7.1: A 20 GLN : amide:sc= 0.248 K(o=0.34,f=-2.3) USER MOD Set 7.2: A 88 TYR OH : rot 152:sc= 0.0898 USER MOD Set 8.1: A 14 GLN : amide:sc= 1.44 K(o=3.1,f=-5.7) USER MOD Set 8.2: A 95 GLN : amide:sc= 1.62 K(o=3.1,f=-4.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 1.15 (180deg=1.05) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0386 K(o=-0.039,f=-0.99) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.365 K(o=0.37,f=-0.44) USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= 3.28 (180deg=2.81) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 83:sc= 0.793 USER MOD Single : A 33 GLN : amide:sc= 0.28 X(o=0.28,f=0) USER MOD Single : A 41 THR OG1 : rot -5:sc= 0.921 USER MOD Single : A 49 HIS : no HE2:sc= 0.0711 K(o=0.071,f=-0.58) USER MOD Single : A 55 TYR OH : rot 170:sc= 1.29 USER MOD Single : A 56 THR OG1 : rot 149:sc= 1.16 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0568 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.371 K(o=0.37,f=-5!) USER MOD Single : A 70 LYS NZ :NH3+ -142:sc= 0.217 (180deg=-0.436) USER MOD Single : A 71 ASN : amide:sc= 0.846 K(o=0.85,f=-3.6!) USER MOD Single : A 73 THR OG1 : rot -79:sc= 1.13 USER MOD Single : A 80 GLN : amide:sc= 0.634 K(o=0.63,f=-0.53) USER MOD Single : A 92 GLN : amide:sc= 0.175 K(o=0.18,f=-2.9!) USER MOD Single : A 98 LYS NZ :NH3+ 167:sc= 2.18 (180deg=2.03) USER MOD Single : A 103 GLN : amide:sc= 0.691 K(o=0.69,f=-4.9!) USER MOD Single : A 107 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 112 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.24) USER MOD Single : A 114 LYS NZ :NH3+ -159:sc= 1.23 (180deg=1.01) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.422 24.345 4.400 1.00 0.00 N ATOM 2 CA MET A 1 11.414 23.923 5.432 1.00 0.00 C ATOM 3 C MET A 1 12.545 23.028 4.817 1.00 0.00 C ATOM 4 O MET A 1 12.446 22.565 3.677 1.00 0.00 O ATOM 5 CB MET A 1 10.662 23.179 6.561 1.00 0.00 C ATOM 6 CG MET A 1 9.734 24.046 7.425 1.00 0.00 C ATOM 7 SD MET A 1 9.055 23.006 8.735 1.00 0.00 S ATOM 8 CE MET A 1 7.953 24.190 9.525 1.00 0.00 C ATOM 0 H1 MET A 1 9.728 24.990 4.829 1.00 0.00 H new ATOM 0 H2 MET A 1 10.914 24.832 3.624 1.00 0.00 H new ATOM 0 H3 MET A 1 9.932 23.507 4.027 1.00 0.00 H new ATOM 0 HA MET A 1 11.907 24.806 5.839 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.071 22.380 6.114 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.397 22.706 7.212 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.284 24.885 7.851 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.932 24.467 6.818 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.446 23.712 10.364 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.531 25.040 9.887 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.213 24.536 8.803 1.00 0.00 H new ATOM 20 N ALA A 2 13.624 22.793 5.582 1.00 0.00 N ATOM 21 CA ALA A 2 14.713 21.874 5.160 1.00 0.00 C ATOM 22 C ALA A 2 14.310 20.376 5.313 1.00 0.00 C ATOM 23 O ALA A 2 14.252 19.840 6.425 1.00 0.00 O ATOM 24 CB ALA A 2 15.950 22.230 5.999 1.00 0.00 C ATOM 0 H ALA A 2 13.772 23.222 6.495 1.00 0.00 H new ATOM 0 HA ALA A 2 14.926 22.001 4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 2 16.778 21.577 5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 2 16.228 23.268 5.815 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.723 22.098 7.057 1.00 0.00 H new ATOM 30 N GLY A 3 14.011 19.720 4.181 1.00 0.00 N ATOM 31 CA GLY A 3 13.459 18.346 4.187 1.00 0.00 C ATOM 32 C GLY A 3 14.482 17.215 4.340 1.00 0.00 C ATOM 33 O GLY A 3 14.841 16.561 3.359 1.00 0.00 O ATOM 0 H GLY A 3 14.140 20.114 3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.737 18.269 5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.911 18.191 3.258 1.00 0.00 H new ATOM 37 N SER A 4 14.907 16.962 5.582 1.00 0.00 N ATOM 38 CA SER A 4 15.626 15.721 5.973 1.00 0.00 C ATOM 39 C SER A 4 15.691 15.638 7.530 1.00 0.00 C ATOM 40 O SER A 4 16.573 16.236 8.155 1.00 0.00 O ATOM 41 CB SER A 4 17.044 15.616 5.356 1.00 0.00 C ATOM 42 OG SER A 4 16.965 15.334 3.959 1.00 0.00 O ATOM 0 H SER A 4 14.766 17.610 6.357 1.00 0.00 H new ATOM 0 HA SER A 4 15.066 14.875 5.574 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.585 16.549 5.514 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.608 14.831 5.860 1.00 0.00 H new ATOM 0 HG SER A 4 16.331 15.950 3.536 1.00 0.00 H new ATOM 48 N GLY A 5 14.759 14.889 8.140 1.00 0.00 N ATOM 49 CA GLY A 5 14.716 14.723 9.610 1.00 0.00 C ATOM 50 C GLY A 5 14.290 13.319 10.053 1.00 0.00 C ATOM 51 O GLY A 5 15.140 12.467 10.322 1.00 0.00 O ATOM 0 H GLY A 5 14.023 14.387 7.642 1.00 0.00 H new ATOM 0 HA2 GLY A 5 15.701 14.942 10.022 1.00 0.00 H new ATOM 0 HA3 GLY A 5 14.025 15.454 10.030 1.00 0.00 H new ATOM 55 N ILE A 6 12.976 13.078 10.128 1.00 0.00 N ATOM 56 CA ILE A 6 12.409 11.738 10.476 1.00 0.00 C ATOM 57 C ILE A 6 12.474 10.778 9.258 1.00 0.00 C ATOM 58 O ILE A 6 11.664 10.834 8.332 1.00 0.00 O ATOM 59 CB ILE A 6 11.049 11.878 11.221 1.00 0.00 C ATOM 60 CG1 ILE A 6 10.465 10.542 11.751 1.00 0.00 C ATOM 61 CG2 ILE A 6 9.958 12.628 10.441 1.00 0.00 C ATOM 62 CD1 ILE A 6 11.300 9.864 12.837 1.00 0.00 C ATOM 0 H ILE A 6 12.267 13.790 9.953 1.00 0.00 H new ATOM 0 HA ILE A 6 13.031 11.234 11.216 1.00 0.00 H new ATOM 0 HB ILE A 6 11.332 12.492 12.076 1.00 0.00 H new ATOM 0 HG12 ILE A 6 9.466 10.729 12.144 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.354 9.853 10.914 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.049 12.675 11.041 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.299 13.639 10.220 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.751 12.103 9.509 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.814 8.938 13.145 1.00 0.00 H new ATOM 0 HD12 ILE A 6 12.292 9.640 12.446 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.390 10.530 13.695 1.00 0.00 H new ATOM 74 N ILE A 7 13.531 9.952 9.257 1.00 0.00 N ATOM 75 CA ILE A 7 13.935 9.142 8.073 1.00 0.00 C ATOM 76 C ILE A 7 13.992 7.631 8.436 1.00 0.00 C ATOM 77 O ILE A 7 15.054 7.059 8.694 1.00 0.00 O ATOM 78 CB ILE A 7 15.213 9.795 7.451 1.00 0.00 C ATOM 79 CG1 ILE A 7 15.507 9.370 5.990 1.00 0.00 C ATOM 80 CG2 ILE A 7 16.495 9.776 8.305 1.00 0.00 C ATOM 81 CD1 ILE A 7 15.923 7.923 5.751 1.00 0.00 C ATOM 0 H ILE A 7 14.135 9.819 10.068 1.00 0.00 H new ATOM 0 HA ILE A 7 13.195 9.156 7.273 1.00 0.00 H new ATOM 0 HB ILE A 7 14.909 10.842 7.437 1.00 0.00 H new ATOM 0 HG12 ILE A 7 14.615 9.566 5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 7 16.296 10.016 5.604 1.00 0.00 H new ATOM 0 HG21 ILE A 7 17.304 10.259 7.758 1.00 0.00 H new ATOM 0 HG22 ILE A 7 16.318 10.310 9.238 1.00 0.00 H new ATOM 0 HG23 ILE A 7 16.771 8.745 8.524 1.00 0.00 H new ATOM 0 HD11 ILE A 7 16.097 7.765 4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 7 16.839 7.712 6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 7 15.131 7.256 6.092 1.00 0.00 H new ATOM 93 N TYR A 8 12.829 6.966 8.380 1.00 0.00 N ATOM 94 CA TYR A 8 12.746 5.485 8.348 1.00 0.00 C ATOM 95 C TYR A 8 12.564 4.992 6.865 1.00 0.00 C ATOM 96 O TYR A 8 11.621 5.376 6.169 1.00 0.00 O ATOM 97 CB TYR A 8 11.566 4.952 9.196 1.00 0.00 C ATOM 98 CG TYR A 8 11.731 4.988 10.715 1.00 0.00 C ATOM 99 CD1 TYR A 8 12.431 3.969 11.378 1.00 0.00 C ATOM 100 CD2 TYR A 8 11.095 5.979 11.478 1.00 0.00 C ATOM 101 CE1 TYR A 8 12.494 3.943 12.772 1.00 0.00 C ATOM 102 CE2 TYR A 8 11.154 5.946 12.874 1.00 0.00 C ATOM 103 CZ TYR A 8 11.855 4.929 13.520 1.00 0.00 C ATOM 104 OH TYR A 8 11.904 4.884 14.880 1.00 0.00 O ATOM 0 H TYR A 8 11.921 7.429 8.355 1.00 0.00 H new ATOM 0 HA TYR A 8 13.675 5.100 8.769 1.00 0.00 H new ATOM 0 HB2 TYR A 8 10.677 5.527 8.938 1.00 0.00 H new ATOM 0 HB3 TYR A 8 11.375 3.920 8.900 1.00 0.00 H new ATOM 0 HD1 TYR A 8 12.925 3.198 10.805 1.00 0.00 H new ATOM 0 HD2 TYR A 8 10.556 6.773 10.983 1.00 0.00 H new ATOM 0 HE1 TYR A 8 13.040 3.156 13.272 1.00 0.00 H new ATOM 0 HE2 TYR A 8 10.656 6.710 13.453 1.00 0.00 H new ATOM 0 HH TYR A 8 11.409 5.645 15.251 1.00 0.00 H new ATOM 114 N LYS A 9 13.460 4.115 6.407 1.00 0.00 N ATOM 115 CA LYS A 9 13.311 3.405 5.099 1.00 0.00 C ATOM 116 C LYS A 9 13.570 1.891 5.363 1.00 0.00 C ATOM 117 O LYS A 9 14.643 1.514 5.844 1.00 0.00 O ATOM 118 CB LYS A 9 14.278 3.992 4.038 1.00 0.00 C ATOM 119 CG LYS A 9 13.826 5.380 3.529 1.00 0.00 C ATOM 120 CD LYS A 9 14.868 6.048 2.614 1.00 0.00 C ATOM 121 CE LYS A 9 14.481 7.510 2.328 1.00 0.00 C ATOM 122 NZ LYS A 9 15.571 8.206 1.596 1.00 0.00 N ATOM 0 H LYS A 9 14.309 3.866 6.915 1.00 0.00 H new ATOM 0 HA LYS A 9 12.308 3.538 4.693 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.277 4.073 4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 9 14.348 3.305 3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.887 5.275 2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.630 6.029 4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.850 6.012 3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.944 5.496 1.677 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.564 7.541 1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.277 8.028 3.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.500 9.231 1.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.492 7.863 1.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.485 8.012 0.578 1.00 0.00 H new ATOM 136 N GLN A 10 12.549 1.046 5.151 1.00 0.00 N ATOM 137 CA GLN A 10 12.471 -0.281 5.822 1.00 0.00 C ATOM 138 C GLN A 10 12.397 -1.438 4.770 1.00 0.00 C ATOM 139 O GLN A 10 11.296 -1.706 4.273 1.00 0.00 O ATOM 140 CB GLN A 10 11.253 -0.302 6.786 1.00 0.00 C ATOM 141 CG GLN A 10 11.226 0.755 7.910 1.00 0.00 C ATOM 142 CD GLN A 10 12.250 0.617 9.022 1.00 0.00 C ATOM 143 OE1 GLN A 10 11.967 0.105 10.098 1.00 0.00 O ATOM 144 NE2 GLN A 10 13.462 1.086 8.839 1.00 0.00 N ATOM 0 H GLN A 10 11.767 1.247 4.527 1.00 0.00 H new ATOM 0 HA GLN A 10 13.377 -0.442 6.406 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.348 -0.185 6.190 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.205 -1.288 7.248 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.355 1.736 7.453 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.234 0.741 8.362 1.00 0.00 H new ATOM 0 HE21 GLN A 10 13.714 1.515 7.949 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.152 1.021 9.587 1.00 0.00 H new ATOM 153 N PRO A 11 13.502 -2.149 4.401 1.00 0.00 N ATOM 154 CA PRO A 11 13.481 -3.133 3.267 1.00 0.00 C ATOM 155 C PRO A 11 12.985 -4.553 3.646 1.00 0.00 C ATOM 156 O PRO A 11 13.757 -5.506 3.775 1.00 0.00 O ATOM 157 CB PRO A 11 14.951 -3.063 2.773 1.00 0.00 C ATOM 158 CG PRO A 11 15.774 -2.793 4.052 1.00 0.00 C ATOM 159 CD PRO A 11 14.877 -1.847 4.867 1.00 0.00 C ATOM 0 HA PRO A 11 12.753 -2.889 2.493 1.00 0.00 H new ATOM 0 HB2 PRO A 11 15.254 -3.994 2.295 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.086 -2.269 2.039 1.00 0.00 H new ATOM 0 HG2 PRO A 11 15.983 -3.714 4.596 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.735 -2.334 3.821 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.982 -2.024 5.937 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.136 -0.803 4.690 1.00 0.00 H new ATOM 167 N ILE A 12 11.660 -4.679 3.780 1.00 0.00 N ATOM 168 CA ILE A 12 10.973 -5.979 4.049 1.00 0.00 C ATOM 169 C ILE A 12 9.782 -6.099 3.059 1.00 0.00 C ATOM 170 O ILE A 12 8.655 -5.688 3.352 1.00 0.00 O ATOM 171 CB ILE A 12 10.691 -6.127 5.572 1.00 0.00 C ATOM 172 CG1 ILE A 12 10.449 -7.585 6.037 1.00 0.00 C ATOM 173 CG2 ILE A 12 9.662 -5.163 6.187 1.00 0.00 C ATOM 174 CD1 ILE A 12 9.233 -8.314 5.483 1.00 0.00 C ATOM 0 H ILE A 12 11.019 -3.889 3.707 1.00 0.00 H new ATOM 0 HA ILE A 12 11.587 -6.856 3.846 1.00 0.00 H new ATOM 0 HB ILE A 12 11.646 -5.802 5.986 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.334 -8.169 5.783 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.371 -7.581 7.124 1.00 0.00 H new ATOM 0 HG21 ILE A 12 9.559 -5.372 7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.999 -4.135 6.050 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.698 -5.298 5.696 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.194 -9.322 5.896 1.00 0.00 H new ATOM 0 HD12 ILE A 12 8.328 -7.773 5.759 1.00 0.00 H new ATOM 0 HD13 ILE A 12 9.306 -8.370 4.397 1.00 0.00 H new ATOM 186 N TYR A 13 10.064 -6.588 1.834 1.00 0.00 N ATOM 187 CA TYR A 13 9.171 -6.353 0.671 1.00 0.00 C ATOM 188 C TYR A 13 8.662 -7.678 0.005 1.00 0.00 C ATOM 189 O TYR A 13 9.025 -8.027 -1.122 1.00 0.00 O ATOM 190 CB TYR A 13 9.874 -5.448 -0.382 1.00 0.00 C ATOM 191 CG TYR A 13 10.357 -4.035 0.000 1.00 0.00 C ATOM 192 CD1 TYR A 13 9.777 -3.252 1.019 1.00 0.00 C ATOM 193 CD2 TYR A 13 11.407 -3.478 -0.742 1.00 0.00 C ATOM 194 CE1 TYR A 13 10.248 -1.964 1.285 1.00 0.00 C ATOM 195 CE2 TYR A 13 11.874 -2.187 -0.476 1.00 0.00 C ATOM 196 CZ TYR A 13 11.293 -1.432 0.537 1.00 0.00 C ATOM 197 OH TYR A 13 11.764 -0.187 0.824 1.00 0.00 O ATOM 0 H TYR A 13 10.893 -7.143 1.621 1.00 0.00 H new ATOM 0 HA TYR A 13 8.289 -5.842 1.056 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.741 -5.996 -0.750 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.187 -5.338 -1.221 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.960 -3.652 1.600 1.00 0.00 H new ATOM 0 HD2 TYR A 13 11.863 -4.055 -1.533 1.00 0.00 H new ATOM 0 HE1 TYR A 13 9.799 -1.379 2.074 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.686 -1.776 -1.057 1.00 0.00 H new ATOM 0 HH TYR A 13 12.495 0.036 0.210 1.00 0.00 H new ATOM 207 N GLN A 14 7.719 -8.346 0.677 1.00 0.00 N ATOM 208 CA GLN A 14 6.816 -9.337 0.035 1.00 0.00 C ATOM 209 C GLN A 14 5.592 -8.730 -0.705 1.00 0.00 C ATOM 210 O GLN A 14 5.293 -9.159 -1.824 1.00 0.00 O ATOM 211 CB GLN A 14 6.477 -10.470 1.018 1.00 0.00 C ATOM 212 CG GLN A 14 5.516 -10.208 2.185 1.00 0.00 C ATOM 213 CD GLN A 14 6.136 -9.543 3.400 1.00 0.00 C ATOM 214 OE1 GLN A 14 6.217 -8.321 3.500 1.00 0.00 O ATOM 215 NE2 GLN A 14 6.609 -10.317 4.347 1.00 0.00 N ATOM 0 H GLN A 14 7.552 -8.224 1.676 1.00 0.00 H new ATOM 0 HA GLN A 14 7.372 -9.782 -0.790 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.063 -11.293 0.435 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.416 -10.822 1.444 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.698 -9.583 1.827 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.079 -11.158 2.494 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.539 -11.331 4.259 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.047 -9.905 5.171 1.00 0.00 H new ATOM 224 N GLY A 15 4.929 -7.720 -0.109 1.00 0.00 N ATOM 225 CA GLY A 15 3.950 -6.873 -0.815 1.00 0.00 C ATOM 226 C GLY A 15 4.597 -5.965 -1.873 1.00 0.00 C ATOM 227 O GLY A 15 5.264 -4.983 -1.547 1.00 0.00 O ATOM 0 H GLY A 15 5.057 -7.470 0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.206 -7.509 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.421 -6.256 -0.089 1.00 0.00 H new ATOM 231 N ASN A 16 4.391 -6.338 -3.135 1.00 0.00 N ATOM 232 CA ASN A 16 4.960 -5.634 -4.325 1.00 0.00 C ATOM 233 C ASN A 16 4.723 -4.094 -4.376 1.00 0.00 C ATOM 234 O ASN A 16 5.690 -3.326 -4.417 1.00 0.00 O ATOM 235 CB ASN A 16 4.377 -6.414 -5.529 1.00 0.00 C ATOM 236 CG ASN A 16 4.854 -6.085 -6.929 1.00 0.00 C ATOM 237 OD1 ASN A 16 5.659 -5.197 -7.187 1.00 0.00 O ATOM 238 ND2 ASN A 16 4.355 -6.816 -7.898 1.00 0.00 N ATOM 0 H ASN A 16 3.819 -7.146 -3.383 1.00 0.00 H new ATOM 0 HA ASN A 16 6.050 -5.650 -4.308 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.571 -7.473 -5.358 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.295 -6.281 -5.512 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.637 -6.645 -8.863 1.00 0.00 H new ATOM 0 HD22 ASN A 16 3.685 -7.555 -7.686 1.00 0.00 H new ATOM 245 N LEU A 17 3.459 -3.663 -4.329 1.00 0.00 N ATOM 246 CA LEU A 17 3.070 -2.239 -4.469 1.00 0.00 C ATOM 247 C LEU A 17 2.679 -1.646 -3.084 1.00 0.00 C ATOM 248 O LEU A 17 3.519 -0.949 -2.501 1.00 0.00 O ATOM 249 CB LEU A 17 2.007 -2.149 -5.579 1.00 0.00 C ATOM 250 CG LEU A 17 2.515 -2.323 -7.032 1.00 0.00 C ATOM 251 CD1 LEU A 17 1.308 -2.512 -7.970 1.00 0.00 C ATOM 252 CD2 LEU A 17 3.357 -1.145 -7.530 1.00 0.00 C ATOM 0 H LEU A 17 2.665 -4.289 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 17 3.897 -1.605 -4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.249 -2.908 -5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.514 -1.180 -5.503 1.00 0.00 H new ATOM 0 HG LEU A 17 3.163 -3.199 -7.036 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.659 -2.635 -8.995 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.749 -3.398 -7.669 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.661 -1.637 -7.911 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.679 -1.335 -8.554 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.761 -0.233 -7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.232 -1.027 -6.891 1.00 0.00 H new ATOM 264 N ILE A 18 1.505 -1.946 -2.493 1.00 0.00 N ATOM 265 CA ILE A 18 1.250 -1.669 -1.045 1.00 0.00 C ATOM 266 C ILE A 18 2.001 -2.724 -0.155 1.00 0.00 C ATOM 267 O ILE A 18 2.159 -3.899 -0.499 1.00 0.00 O ATOM 268 CB ILE A 18 -0.284 -1.592 -0.769 1.00 0.00 C ATOM 269 CG1 ILE A 18 -1.033 -0.484 -1.565 1.00 0.00 C ATOM 270 CG2 ILE A 18 -0.649 -1.405 0.724 1.00 0.00 C ATOM 271 CD1 ILE A 18 -0.459 0.924 -1.494 1.00 0.00 C ATOM 0 H ILE A 18 0.719 -2.376 -2.981 1.00 0.00 H new ATOM 0 HA ILE A 18 1.654 -0.694 -0.774 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.616 -2.571 -1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.067 -0.784 -2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.063 -0.449 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.733 -1.361 0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.261 -2.244 1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.210 -0.478 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.073 1.598 -2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.451 1.262 -0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.559 0.922 -1.882 1.00 0.00 H new ATOM 283 N LYS A 19 2.510 -2.236 0.978 1.00 0.00 N ATOM 284 CA LYS A 19 3.489 -2.970 1.820 1.00 0.00 C ATOM 285 C LYS A 19 3.336 -2.517 3.299 1.00 0.00 C ATOM 286 O LYS A 19 4.131 -1.720 3.798 1.00 0.00 O ATOM 287 CB LYS A 19 4.926 -2.830 1.226 1.00 0.00 C ATOM 288 CG LYS A 19 5.392 -1.420 0.808 1.00 0.00 C ATOM 289 CD LYS A 19 6.785 -1.347 0.174 1.00 0.00 C ATOM 290 CE LYS A 19 7.035 -2.136 -1.121 1.00 0.00 C ATOM 291 NZ LYS A 19 6.256 -1.615 -2.279 1.00 0.00 N ATOM 0 H LYS A 19 2.261 -1.319 1.349 1.00 0.00 H new ATOM 0 HA LYS A 19 3.290 -4.042 1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.633 -3.213 1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.993 -3.479 0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.669 -1.012 0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.378 -0.776 1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.005 -0.299 -0.027 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.507 -1.688 0.916 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.098 -2.103 -1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.777 -3.182 -0.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.203 -2.345 -3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.295 -1.367 -1.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.725 -0.769 -2.661 1.00 0.00 H new ATOM 305 N GLN A 20 2.284 -2.994 3.993 1.00 0.00 N ATOM 306 CA GLN A 20 1.725 -2.280 5.183 1.00 0.00 C ATOM 307 C GLN A 20 2.648 -1.998 6.404 1.00 0.00 C ATOM 308 O GLN A 20 2.586 -0.882 6.923 1.00 0.00 O ATOM 309 CB GLN A 20 0.388 -2.959 5.565 1.00 0.00 C ATOM 310 CG GLN A 20 -0.479 -2.235 6.621 1.00 0.00 C ATOM 311 CD GLN A 20 -0.972 -0.845 6.245 1.00 0.00 C ATOM 312 OE1 GLN A 20 -2.044 -0.661 5.681 1.00 0.00 O ATOM 313 NE2 GLN A 20 -0.235 0.195 6.556 1.00 0.00 N ATOM 0 H GLN A 20 1.800 -3.862 3.762 1.00 0.00 H new ATOM 0 HA GLN A 20 1.581 -1.251 4.853 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.206 -3.076 4.659 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.608 -3.961 5.933 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.346 -2.859 6.839 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.097 -2.157 7.543 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.661 0.063 7.026 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.558 1.135 6.328 1.00 0.00 H new ATOM 322 N ASN A 21 3.502 -2.934 6.841 1.00 0.00 N ATOM 323 CA ASN A 21 4.571 -2.642 7.846 1.00 0.00 C ATOM 324 C ASN A 21 5.586 -1.543 7.402 1.00 0.00 C ATOM 325 O ASN A 21 5.820 -0.610 8.170 1.00 0.00 O ATOM 326 CB ASN A 21 5.242 -3.983 8.231 1.00 0.00 C ATOM 327 CG ASN A 21 6.332 -3.883 9.294 1.00 0.00 C ATOM 328 OD1 ASN A 21 6.081 -3.714 10.480 1.00 0.00 O ATOM 329 ND2 ASN A 21 7.585 -3.967 8.920 1.00 0.00 N ATOM 0 H ASN A 21 3.485 -3.903 6.523 1.00 0.00 H new ATOM 0 HA ASN A 21 4.111 -2.197 8.728 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.472 -4.667 8.587 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.672 -4.426 7.333 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.330 -3.892 9.613 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.815 -4.108 7.936 1.00 0.00 H new ATOM 336 N ALA A 22 6.144 -1.636 6.183 1.00 0.00 N ATOM 337 CA ALA A 22 6.931 -0.528 5.595 1.00 0.00 C ATOM 338 C ALA A 22 6.166 0.817 5.401 1.00 0.00 C ATOM 339 O ALA A 22 6.722 1.845 5.778 1.00 0.00 O ATOM 340 CB ALA A 22 7.569 -1.040 4.298 1.00 0.00 C ATOM 0 H ALA A 22 6.068 -2.459 5.586 1.00 0.00 H new ATOM 0 HA ALA A 22 7.697 -0.250 6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.156 -0.243 3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.218 -1.887 4.521 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.787 -1.355 3.607 1.00 0.00 H new ATOM 346 N VAL A 23 4.916 0.831 4.894 1.00 0.00 N ATOM 347 CA VAL A 23 4.106 2.085 4.783 1.00 0.00 C ATOM 348 C VAL A 23 3.680 2.713 6.156 1.00 0.00 C ATOM 349 O VAL A 23 3.733 3.938 6.289 1.00 0.00 O ATOM 350 CB VAL A 23 2.884 1.959 3.812 1.00 0.00 C ATOM 351 CG1 VAL A 23 2.277 3.359 3.513 1.00 0.00 C ATOM 352 CG2 VAL A 23 3.221 1.341 2.442 1.00 0.00 C ATOM 0 H VAL A 23 4.438 -0.003 4.553 1.00 0.00 H new ATOM 0 HA VAL A 23 4.803 2.792 4.334 1.00 0.00 H new ATOM 0 HB VAL A 23 2.192 1.300 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.429 3.251 2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.943 3.817 4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.033 3.992 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.318 1.291 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.965 1.958 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.619 0.336 2.584 1.00 0.00 H new ATOM 362 N GLU A 24 3.296 1.910 7.159 1.00 0.00 N ATOM 363 CA GLU A 24 3.164 2.394 8.561 1.00 0.00 C ATOM 364 C GLU A 24 4.489 2.953 9.171 1.00 0.00 C ATOM 365 O GLU A 24 4.495 4.080 9.677 1.00 0.00 O ATOM 366 CB GLU A 24 2.546 1.234 9.376 1.00 0.00 C ATOM 367 CG GLU A 24 2.022 1.559 10.782 1.00 0.00 C ATOM 368 CD GLU A 24 3.019 1.890 11.869 1.00 0.00 C ATOM 369 OE1 GLU A 24 4.083 1.245 11.953 1.00 0.00 O ATOM 370 OE2 GLU A 24 2.739 2.811 12.665 1.00 0.00 O ATOM 0 H GLU A 24 3.070 0.923 7.036 1.00 0.00 H new ATOM 0 HA GLU A 24 2.511 3.266 8.590 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.722 0.818 8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.298 0.450 9.470 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.338 2.403 10.693 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.434 0.706 11.121 1.00 0.00 H new ATOM 377 N GLN A 25 5.584 2.183 9.114 1.00 0.00 N ATOM 378 CA GLN A 25 6.870 2.562 9.747 1.00 0.00 C ATOM 379 C GLN A 25 7.700 3.661 9.017 1.00 0.00 C ATOM 380 O GLN A 25 8.429 4.371 9.714 1.00 0.00 O ATOM 381 CB GLN A 25 7.654 1.246 9.968 1.00 0.00 C ATOM 382 CG GLN A 25 8.874 1.314 10.909 1.00 0.00 C ATOM 383 CD GLN A 25 8.546 1.535 12.380 1.00 0.00 C ATOM 384 OE1 GLN A 25 7.864 0.743 13.025 1.00 0.00 O ATOM 385 NE2 GLN A 25 9.033 2.596 12.976 1.00 0.00 N ATOM 0 H GLN A 25 5.612 1.284 8.633 1.00 0.00 H new ATOM 0 HA GLN A 25 6.655 3.064 10.690 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.963 0.500 10.361 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.993 0.885 8.997 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.438 0.386 10.814 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.527 2.120 10.574 1.00 0.00 H new ATOM 0 HE21 GLN A 25 9.601 3.261 12.450 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.844 2.757 13.965 1.00 0.00 H new ATOM 394 N LEU A 26 7.591 3.833 7.679 1.00 0.00 N ATOM 395 CA LEU A 26 8.408 4.814 6.908 1.00 0.00 C ATOM 396 C LEU A 26 8.420 6.293 7.377 1.00 0.00 C ATOM 397 O LEU A 26 9.493 6.895 7.391 1.00 0.00 O ATOM 398 CB LEU A 26 8.249 4.614 5.375 1.00 0.00 C ATOM 399 CG LEU A 26 6.903 4.897 4.684 1.00 0.00 C ATOM 400 CD1 LEU A 26 6.646 6.371 4.365 1.00 0.00 C ATOM 401 CD2 LEU A 26 6.837 4.151 3.327 1.00 0.00 C ATOM 0 H LEU A 26 6.940 3.302 7.101 1.00 0.00 H new ATOM 0 HA LEU A 26 9.431 4.548 7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.997 5.241 4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.511 3.579 5.157 1.00 0.00 H new ATOM 0 HG LEU A 26 6.154 4.560 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.675 6.474 3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.654 6.950 5.289 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.426 6.740 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.881 4.357 2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.649 4.492 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.935 3.079 3.496 1.00 0.00 H new ATOM 413 N GLN A 27 7.265 6.859 7.785 1.00 0.00 N ATOM 414 CA GLN A 27 7.186 8.142 8.551 1.00 0.00 C ATOM 415 C GLN A 27 8.091 9.314 8.067 1.00 0.00 C ATOM 416 O GLN A 27 8.859 9.883 8.839 1.00 0.00 O ATOM 417 CB GLN A 27 7.315 7.759 10.051 1.00 0.00 C ATOM 418 CG GLN A 27 6.082 6.993 10.589 1.00 0.00 C ATOM 419 CD GLN A 27 6.183 6.412 11.988 1.00 0.00 C ATOM 420 OE1 GLN A 27 5.319 6.635 12.830 1.00 0.00 O ATOM 421 NE2 GLN A 27 7.144 5.560 12.259 1.00 0.00 N ATOM 0 H GLN A 27 6.352 6.445 7.597 1.00 0.00 H new ATOM 0 HA GLN A 27 6.223 8.615 8.359 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.205 7.145 10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.459 8.665 10.640 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.227 7.669 10.565 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.863 6.178 9.899 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.866 5.368 11.565 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.168 5.089 13.164 1.00 0.00 H new ATOM 430 N VAL A 28 8.027 9.614 6.754 1.00 0.00 N ATOM 431 CA VAL A 28 9.147 10.309 6.058 1.00 0.00 C ATOM 432 C VAL A 28 8.981 11.862 6.109 1.00 0.00 C ATOM 433 O VAL A 28 8.130 12.441 5.435 1.00 0.00 O ATOM 434 CB VAL A 28 9.302 9.766 4.589 1.00 0.00 C ATOM 435 CG1 VAL A 28 10.377 10.533 3.784 1.00 0.00 C ATOM 436 CG2 VAL A 28 9.750 8.288 4.536 1.00 0.00 C ATOM 0 H VAL A 28 7.230 9.394 6.157 1.00 0.00 H new ATOM 0 HA VAL A 28 10.073 10.086 6.587 1.00 0.00 H new ATOM 0 HB VAL A 28 8.307 9.896 4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.443 10.118 2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.104 11.587 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.342 10.435 4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.839 7.972 3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.715 8.182 5.031 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.012 7.666 5.043 1.00 0.00 H new ATOM 446 N GLY A 29 9.913 12.524 6.798 1.00 0.00 N ATOM 447 CA GLY A 29 10.130 13.984 6.668 1.00 0.00 C ATOM 448 C GLY A 29 11.334 14.324 5.773 1.00 0.00 C ATOM 449 O GLY A 29 12.341 14.848 6.251 1.00 0.00 O ATOM 0 H GLY A 29 10.542 12.073 7.463 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.233 14.446 6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.284 14.415 7.657 1.00 0.00 H new ATOM 453 N GLN A 30 11.207 13.983 4.482 1.00 0.00 N ATOM 454 CA GLN A 30 12.298 14.123 3.492 1.00 0.00 C ATOM 455 C GLN A 30 11.756 14.396 2.063 1.00 0.00 C ATOM 456 O GLN A 30 12.066 15.459 1.526 1.00 0.00 O ATOM 457 CB GLN A 30 13.262 12.908 3.580 1.00 0.00 C ATOM 458 CG GLN A 30 14.545 13.069 2.740 1.00 0.00 C ATOM 459 CD GLN A 30 15.576 11.973 2.962 1.00 0.00 C ATOM 460 OE1 GLN A 30 15.427 10.835 2.521 1.00 0.00 O ATOM 461 NE2 GLN A 30 16.670 12.278 3.619 1.00 0.00 N ATOM 0 H GLN A 30 10.346 13.602 4.089 1.00 0.00 H new ATOM 0 HA GLN A 30 12.886 15.007 3.738 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.539 12.751 4.622 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.734 12.013 3.252 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.275 13.090 1.684 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.999 14.032 2.972 1.00 0.00 H new ATOM 0 HE21 GLN A 30 16.798 13.221 3.987 1.00 0.00 H new ATOM 0 HE22 GLN A 30 17.392 11.572 3.762 1.00 0.00 H new ATOM 470 N SER A 31 11.037 13.445 1.422 1.00 0.00 N ATOM 471 CA SER A 31 10.862 13.458 -0.054 1.00 0.00 C ATOM 472 C SER A 31 9.599 12.697 -0.566 1.00 0.00 C ATOM 473 O SER A 31 9.377 11.518 -0.267 1.00 0.00 O ATOM 474 CB SER A 31 12.145 12.873 -0.707 1.00 0.00 C ATOM 475 OG SER A 31 12.071 12.886 -2.130 1.00 0.00 O ATOM 0 H SER A 31 10.574 12.668 1.894 1.00 0.00 H new ATOM 0 HA SER A 31 10.702 14.496 -0.345 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.012 13.449 -0.383 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.295 11.850 -0.361 1.00 0.00 H new ATOM 0 HG SER A 31 12.324 13.772 -2.463 1.00 0.00 H new ATOM 481 N LYS A 32 8.853 13.384 -1.445 1.00 0.00 N ATOM 482 CA LYS A 32 7.745 12.808 -2.247 1.00 0.00 C ATOM 483 C LYS A 32 8.136 11.662 -3.218 1.00 0.00 C ATOM 484 O LYS A 32 7.523 10.596 -3.195 1.00 0.00 O ATOM 485 CB LYS A 32 6.963 13.954 -2.956 1.00 0.00 C ATOM 486 CG LYS A 32 7.691 14.763 -4.040 1.00 0.00 C ATOM 487 CD LYS A 32 6.804 15.873 -4.631 1.00 0.00 C ATOM 488 CE LYS A 32 7.560 16.795 -5.610 1.00 0.00 C ATOM 489 NZ LYS A 32 8.504 17.681 -4.873 1.00 0.00 N ATOM 0 H LYS A 32 9.001 14.377 -1.627 1.00 0.00 H new ATOM 0 HA LYS A 32 7.092 12.301 -1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.071 13.520 -3.407 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.626 14.652 -2.189 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.592 15.207 -3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.011 14.093 -4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.959 15.418 -5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.394 16.473 -3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.108 16.193 -6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.848 17.400 -6.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.472 18.637 -5.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.230 17.723 -3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.469 17.302 -4.953 1.00 0.00 H new ATOM 503 N GLN A 33 9.176 11.886 -4.028 1.00 0.00 N ATOM 504 CA GLN A 33 9.745 10.870 -4.944 1.00 0.00 C ATOM 505 C GLN A 33 10.399 9.614 -4.304 1.00 0.00 C ATOM 506 O GLN A 33 10.430 8.576 -4.963 1.00 0.00 O ATOM 507 CB GLN A 33 10.641 11.599 -5.979 1.00 0.00 C ATOM 508 CG GLN A 33 11.877 12.344 -5.435 1.00 0.00 C ATOM 509 CD GLN A 33 12.520 13.273 -6.457 1.00 0.00 C ATOM 510 OE1 GLN A 33 13.224 12.844 -7.364 1.00 0.00 O ATOM 511 NE2 GLN A 33 12.318 14.567 -6.355 1.00 0.00 N ATOM 0 H GLN A 33 9.657 12.784 -4.073 1.00 0.00 H new ATOM 0 HA GLN A 33 8.901 10.393 -5.442 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.982 10.864 -6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.022 12.317 -6.516 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.586 12.924 -4.559 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.615 11.614 -5.103 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.734 14.934 -5.604 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.745 15.204 -7.027 1.00 0.00 H new ATOM 520 N GLN A 34 10.839 9.660 -3.035 1.00 0.00 N ATOM 521 CA GLN A 34 11.202 8.441 -2.268 1.00 0.00 C ATOM 522 C GLN A 34 9.969 7.575 -1.842 1.00 0.00 C ATOM 523 O GLN A 34 9.933 6.395 -2.198 1.00 0.00 O ATOM 524 CB GLN A 34 12.077 8.816 -1.047 1.00 0.00 C ATOM 525 CG GLN A 34 13.454 9.439 -1.364 1.00 0.00 C ATOM 526 CD GLN A 34 14.510 8.478 -1.880 1.00 0.00 C ATOM 527 OE1 GLN A 34 15.226 7.846 -1.109 1.00 0.00 O ATOM 528 NE2 GLN A 34 14.665 8.344 -3.175 1.00 0.00 N ATOM 0 H GLN A 34 10.954 10.528 -2.511 1.00 0.00 H new ATOM 0 HA GLN A 34 11.780 7.809 -2.942 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.518 9.517 -0.427 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.236 7.918 -0.450 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.314 10.227 -2.104 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.833 9.915 -0.460 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.071 8.869 -3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.380 7.715 -3.541 1.00 0.00 H new ATOM 537 N VAL A 35 8.960 8.133 -1.141 1.00 0.00 N ATOM 538 CA VAL A 35 7.692 7.387 -0.836 1.00 0.00 C ATOM 539 C VAL A 35 6.871 6.919 -2.084 1.00 0.00 C ATOM 540 O VAL A 35 6.423 5.771 -2.124 1.00 0.00 O ATOM 541 CB VAL A 35 6.870 8.165 0.239 1.00 0.00 C ATOM 542 CG1 VAL A 35 6.143 9.423 -0.259 1.00 0.00 C ATOM 543 CG2 VAL A 35 5.834 7.265 0.939 1.00 0.00 C ATOM 0 H VAL A 35 8.984 9.084 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 35 7.978 6.427 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 35 7.642 8.494 0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.605 9.884 0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.871 10.130 -0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.437 9.149 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.286 7.849 1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.137 6.869 0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.345 6.439 1.434 1.00 0.00 H new ATOM 553 N SER A 36 6.727 7.784 -3.097 1.00 0.00 N ATOM 554 CA SER A 36 6.062 7.448 -4.380 1.00 0.00 C ATOM 555 C SER A 36 6.806 6.434 -5.289 1.00 0.00 C ATOM 556 O SER A 36 6.134 5.616 -5.916 1.00 0.00 O ATOM 557 CB SER A 36 5.772 8.806 -5.073 1.00 0.00 C ATOM 558 OG SER A 36 4.689 8.748 -5.998 1.00 0.00 O ATOM 0 H SER A 36 7.068 8.744 -3.057 1.00 0.00 H new ATOM 0 HA SER A 36 5.146 6.894 -4.173 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.551 9.554 -4.312 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.669 9.138 -5.595 1.00 0.00 H new ATOM 0 HG SER A 36 4.767 7.937 -6.542 1.00 0.00 H new ATOM 564 N ALA A 37 8.151 6.404 -5.319 1.00 0.00 N ATOM 565 CA ALA A 37 8.907 5.256 -5.886 1.00 0.00 C ATOM 566 C ALA A 37 8.800 3.908 -5.100 1.00 0.00 C ATOM 567 O ALA A 37 8.603 2.871 -5.736 1.00 0.00 O ATOM 568 CB ALA A 37 10.371 5.690 -6.034 1.00 0.00 C ATOM 0 H ALA A 37 8.741 7.155 -4.961 1.00 0.00 H new ATOM 0 HA ALA A 37 8.447 5.021 -6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.954 4.868 -6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.430 6.550 -6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.771 5.961 -5.057 1.00 0.00 H new ATOM 574 N LEU A 38 8.891 3.917 -3.756 1.00 0.00 N ATOM 575 CA LEU A 38 8.653 2.704 -2.918 1.00 0.00 C ATOM 576 C LEU A 38 7.215 2.083 -3.020 1.00 0.00 C ATOM 577 O LEU A 38 7.087 0.860 -3.131 1.00 0.00 O ATOM 578 CB LEU A 38 9.026 3.006 -1.439 1.00 0.00 C ATOM 579 CG LEU A 38 10.470 2.654 -1.011 1.00 0.00 C ATOM 580 CD1 LEU A 38 11.558 3.452 -1.732 1.00 0.00 C ATOM 581 CD2 LEU A 38 10.613 2.889 0.508 1.00 0.00 C ATOM 0 H LEU A 38 9.128 4.750 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 38 9.305 1.933 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.864 4.068 -1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.336 2.462 -0.794 1.00 0.00 H new ATOM 0 HG LEU A 38 10.620 1.610 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.538 3.140 -1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.492 3.270 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.420 4.515 -1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.628 2.644 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.406 3.935 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.906 2.255 1.042 1.00 0.00 H new ATOM 593 N LEU A 39 6.167 2.909 -3.006 1.00 0.00 N ATOM 594 CA LEU A 39 4.790 2.489 -3.380 1.00 0.00 C ATOM 595 C LEU A 39 4.553 2.134 -4.889 1.00 0.00 C ATOM 596 O LEU A 39 3.780 1.216 -5.170 1.00 0.00 O ATOM 597 CB LEU A 39 3.848 3.644 -2.936 1.00 0.00 C ATOM 598 CG LEU A 39 3.630 3.710 -1.406 1.00 0.00 C ATOM 599 CD1 LEU A 39 3.076 5.071 -0.981 1.00 0.00 C ATOM 600 CD2 LEU A 39 2.637 2.640 -0.935 1.00 0.00 C ATOM 0 H LEU A 39 6.236 3.890 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 39 4.590 1.543 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.264 4.592 -3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.883 3.524 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 39 4.606 3.542 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.934 5.085 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.779 5.855 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.120 5.245 -1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.507 2.714 0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.677 2.793 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.021 1.651 -1.187 1.00 0.00 H new ATOM 612 N GLY A 40 5.183 2.864 -5.818 1.00 0.00 N ATOM 613 CA GLY A 40 5.077 2.619 -7.273 1.00 0.00 C ATOM 614 C GLY A 40 4.121 3.572 -8.002 1.00 0.00 C ATOM 615 O GLY A 40 3.037 3.158 -8.418 1.00 0.00 O ATOM 0 H GLY A 40 5.788 3.651 -5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.068 2.706 -7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.744 1.594 -7.434 1.00 0.00 H new ATOM 619 N THR A 41 4.493 4.856 -8.119 1.00 0.00 N ATOM 620 CA THR A 41 3.618 5.927 -8.693 1.00 0.00 C ATOM 621 C THR A 41 4.457 7.237 -8.937 1.00 0.00 C ATOM 622 O THR A 41 5.256 7.595 -8.064 1.00 0.00 O ATOM 623 CB THR A 41 2.413 6.229 -7.743 1.00 0.00 C ATOM 624 OG1 THR A 41 1.584 5.080 -7.657 1.00 0.00 O ATOM 625 CG2 THR A 41 1.465 7.332 -8.182 1.00 0.00 C ATOM 0 H THR A 41 5.408 5.196 -7.822 1.00 0.00 H new ATOM 0 HA THR A 41 3.223 5.574 -9.646 1.00 0.00 H new ATOM 0 HB THR A 41 2.898 6.536 -6.816 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.916 4.391 -8.270 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.673 7.447 -7.442 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.014 8.269 -8.273 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.027 7.073 -9.146 1.00 0.00 H new ATOM 633 N PRO A 42 4.249 8.035 -10.015 1.00 0.00 N ATOM 634 CA PRO A 42 4.745 9.448 -10.080 1.00 0.00 C ATOM 635 C PRO A 42 3.812 10.462 -9.349 1.00 0.00 C ATOM 636 O PRO A 42 2.610 10.545 -9.629 1.00 0.00 O ATOM 637 CB PRO A 42 4.791 9.675 -11.616 1.00 0.00 C ATOM 638 CG PRO A 42 3.605 8.842 -12.160 1.00 0.00 C ATOM 639 CD PRO A 42 3.582 7.593 -11.260 1.00 0.00 C ATOM 0 HA PRO A 42 5.698 9.603 -9.575 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.684 10.731 -11.866 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.739 9.342 -12.039 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.668 9.395 -12.099 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.751 8.577 -13.207 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.563 7.258 -11.069 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.111 6.759 -11.721 1.00 0.00 H new ATOM 647 N SER A 43 4.372 11.258 -8.427 1.00 0.00 N ATOM 648 CA SER A 43 3.611 12.332 -7.721 1.00 0.00 C ATOM 649 C SER A 43 3.474 13.635 -8.586 1.00 0.00 C ATOM 650 O SER A 43 3.253 13.539 -9.796 1.00 0.00 O ATOM 651 CB SER A 43 4.235 12.473 -6.312 1.00 0.00 C ATOM 652 OG SER A 43 3.931 11.341 -5.498 1.00 0.00 O ATOM 0 H SER A 43 5.349 11.189 -8.143 1.00 0.00 H new ATOM 0 HA SER A 43 2.562 12.075 -7.577 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.316 12.582 -6.399 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.861 13.379 -5.835 1.00 0.00 H new ATOM 0 HG SER A 43 4.204 10.522 -5.962 1.00 0.00 H new ATOM 658 N ILE A 44 3.527 14.839 -7.993 1.00 0.00 N ATOM 659 CA ILE A 44 3.231 16.115 -8.708 1.00 0.00 C ATOM 660 C ILE A 44 4.496 17.035 -8.559 1.00 0.00 C ATOM 661 O ILE A 44 4.639 17.670 -7.509 1.00 0.00 O ATOM 662 CB ILE A 44 1.913 16.822 -8.204 1.00 0.00 C ATOM 663 CG1 ILE A 44 0.669 15.890 -8.288 1.00 0.00 C ATOM 664 CG2 ILE A 44 1.646 18.101 -9.046 1.00 0.00 C ATOM 665 CD1 ILE A 44 -0.604 16.492 -7.692 1.00 0.00 C ATOM 0 H ILE A 44 3.773 14.967 -7.012 1.00 0.00 H new ATOM 0 HA ILE A 44 3.033 15.905 -9.759 1.00 0.00 H new ATOM 0 HB ILE A 44 2.069 17.078 -7.156 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.485 15.641 -9.333 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.893 14.956 -7.772 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.735 18.585 -8.694 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.486 18.788 -8.941 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.530 17.828 -10.095 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.424 15.780 -7.790 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.442 16.715 -6.638 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.855 17.410 -8.223 1.00 0.00 H new ATOM 677 N PRO A 45 5.409 17.160 -9.558 1.00 0.00 N ATOM 678 CA PRO A 45 6.586 18.082 -9.458 1.00 0.00 C ATOM 679 C PRO A 45 6.298 19.557 -9.857 1.00 0.00 C ATOM 680 O PRO A 45 6.749 20.043 -10.898 1.00 0.00 O ATOM 681 CB PRO A 45 7.618 17.345 -10.355 1.00 0.00 C ATOM 682 CG PRO A 45 6.761 16.670 -11.452 1.00 0.00 C ATOM 683 CD PRO A 45 5.497 16.225 -10.701 1.00 0.00 C ATOM 0 HA PRO A 45 6.933 18.242 -8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.339 18.040 -10.785 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.186 16.609 -9.785 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.524 17.363 -12.259 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.279 15.823 -11.901 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.613 16.287 -11.336 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.576 15.191 -10.365 1.00 0.00 H new ATOM 691 N ASP A 46 5.615 20.286 -8.962 1.00 0.00 N ATOM 692 CA ASP A 46 5.472 21.758 -9.058 1.00 0.00 C ATOM 693 C ASP A 46 6.705 22.425 -8.331 1.00 0.00 C ATOM 694 O ASP A 46 6.839 22.242 -7.114 1.00 0.00 O ATOM 695 CB ASP A 46 4.164 22.336 -8.470 1.00 0.00 C ATOM 696 CG ASP A 46 2.845 21.631 -8.737 1.00 0.00 C ATOM 697 OD1 ASP A 46 2.415 21.569 -9.906 1.00 0.00 O ATOM 698 OD2 ASP A 46 2.201 21.163 -7.766 1.00 0.00 O ATOM 0 H ASP A 46 5.146 19.880 -8.152 1.00 0.00 H new ATOM 0 HA ASP A 46 5.435 21.990 -10.122 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.290 22.393 -7.389 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.067 23.359 -8.834 1.00 0.00 H new ATOM 703 N PRO A 47 7.612 23.192 -8.988 1.00 0.00 N ATOM 704 CA PRO A 47 8.780 23.824 -8.285 1.00 0.00 C ATOM 705 C PRO A 47 8.503 24.969 -7.271 1.00 0.00 C ATOM 706 O PRO A 47 9.399 25.286 -6.487 1.00 0.00 O ATOM 707 CB PRO A 47 9.679 24.254 -9.473 1.00 0.00 C ATOM 708 CG PRO A 47 8.697 24.490 -10.644 1.00 0.00 C ATOM 709 CD PRO A 47 7.625 23.405 -10.448 1.00 0.00 C ATOM 0 HA PRO A 47 9.229 23.115 -7.590 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.240 25.159 -9.238 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.408 23.482 -9.717 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.265 25.490 -10.608 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.194 24.392 -11.609 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.652 23.732 -10.814 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.877 22.490 -10.985 1.00 0.00 H new ATOM 717 N PHE A 48 7.288 25.543 -7.245 1.00 0.00 N ATOM 718 CA PHE A 48 6.865 26.492 -6.179 1.00 0.00 C ATOM 719 C PHE A 48 6.272 25.734 -4.950 1.00 0.00 C ATOM 720 O PHE A 48 6.974 25.559 -3.951 1.00 0.00 O ATOM 721 CB PHE A 48 5.955 27.537 -6.867 1.00 0.00 C ATOM 722 CG PHE A 48 5.590 28.742 -5.988 1.00 0.00 C ATOM 723 CD1 PHE A 48 6.478 29.820 -5.849 1.00 0.00 C ATOM 724 CD2 PHE A 48 4.363 28.787 -5.305 1.00 0.00 C ATOM 725 CE1 PHE A 48 6.151 30.912 -5.042 1.00 0.00 C ATOM 726 CE2 PHE A 48 4.038 29.878 -4.498 1.00 0.00 C ATOM 727 CZ PHE A 48 4.932 30.939 -4.368 1.00 0.00 C ATOM 0 H PHE A 48 6.572 25.370 -7.951 1.00 0.00 H new ATOM 0 HA PHE A 48 7.695 27.035 -5.726 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.453 27.898 -7.767 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.036 27.045 -7.187 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.423 29.805 -6.371 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.665 27.969 -5.406 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.843 31.735 -4.940 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.094 29.900 -3.974 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.680 31.783 -3.744 1.00 0.00 H new ATOM 737 N HIS A 49 5.022 25.257 -5.038 1.00 0.00 N ATOM 738 CA HIS A 49 4.415 24.354 -4.029 1.00 0.00 C ATOM 739 C HIS A 49 3.968 23.065 -4.763 1.00 0.00 C ATOM 740 O HIS A 49 2.902 23.048 -5.386 1.00 0.00 O ATOM 741 CB HIS A 49 3.264 25.113 -3.319 1.00 0.00 C ATOM 742 CG HIS A 49 2.342 24.245 -2.446 1.00 0.00 C ATOM 743 ND1 HIS A 49 2.734 23.623 -1.276 1.00 0.00 N ATOM 744 CD2 HIS A 49 1.092 23.735 -2.856 1.00 0.00 C ATOM 745 CE1 HIS A 49 1.685 22.760 -1.102 1.00 0.00 C ATOM 746 NE2 HIS A 49 0.631 22.769 -1.980 1.00 0.00 N ATOM 0 H HIS A 49 4.395 25.483 -5.810 1.00 0.00 H new ATOM 0 HA HIS A 49 5.113 24.055 -3.247 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.697 25.894 -2.695 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.657 25.610 -4.076 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.567 23.766 -0.705 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.563 24.058 -3.741 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.688 22.070 -0.271 1.00 0.00 H new ATOM 754 N ALA A 50 4.748 21.981 -4.629 1.00 0.00 N ATOM 755 CA ALA A 50 4.321 20.643 -5.091 1.00 0.00 C ATOM 756 C ALA A 50 3.155 20.070 -4.249 1.00 0.00 C ATOM 757 O ALA A 50 3.287 19.779 -3.056 1.00 0.00 O ATOM 758 CB ALA A 50 5.530 19.714 -5.091 1.00 0.00 C ATOM 0 H ALA A 50 5.676 22.000 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 50 3.932 20.731 -6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.228 18.723 -5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.293 20.110 -5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.935 19.644 -4.081 1.00 0.00 H new ATOM 764 N GLN A 51 2.004 19.958 -4.913 1.00 0.00 N ATOM 765 CA GLN A 51 0.715 19.667 -4.241 1.00 0.00 C ATOM 766 C GLN A 51 0.566 18.178 -3.809 1.00 0.00 C ATOM 767 O GLN A 51 1.394 17.315 -4.116 1.00 0.00 O ATOM 768 CB GLN A 51 -0.409 20.086 -5.231 1.00 0.00 C ATOM 769 CG GLN A 51 -0.518 21.608 -5.458 1.00 0.00 C ATOM 770 CD GLN A 51 -1.180 21.980 -6.772 1.00 0.00 C ATOM 771 OE1 GLN A 51 -2.390 21.861 -6.954 1.00 0.00 O ATOM 772 NE2 GLN A 51 -0.409 22.408 -7.740 1.00 0.00 N ATOM 0 H GLN A 51 1.927 20.064 -5.925 1.00 0.00 H new ATOM 0 HA GLN A 51 0.656 20.229 -3.309 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.233 19.599 -6.190 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.364 19.717 -4.856 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.084 22.050 -4.638 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.481 22.044 -5.428 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.595 22.506 -7.587 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.812 22.643 -8.647 1.00 0.00 H new ATOM 781 N ARG A 52 -0.529 17.887 -3.091 1.00 0.00 N ATOM 782 CA ARG A 52 -0.844 16.517 -2.624 1.00 0.00 C ATOM 783 C ARG A 52 -1.000 15.489 -3.794 1.00 0.00 C ATOM 784 O ARG A 52 -1.621 15.788 -4.819 1.00 0.00 O ATOM 785 CB ARG A 52 -2.105 16.595 -1.697 1.00 0.00 C ATOM 786 CG ARG A 52 -3.466 16.432 -2.395 1.00 0.00 C ATOM 787 CD ARG A 52 -4.721 16.739 -1.579 1.00 0.00 C ATOM 788 NE ARG A 52 -5.198 18.121 -1.839 1.00 0.00 N ATOM 789 CZ ARG A 52 -6.093 18.445 -2.774 1.00 0.00 C ATOM 790 NH1 ARG A 52 -6.931 17.615 -3.334 1.00 0.00 N ATOM 791 NH2 ARG A 52 -6.144 19.674 -3.198 1.00 0.00 N ATOM 0 H ARG A 52 -1.220 18.585 -2.816 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.002 16.130 -2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.017 15.824 -0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.095 17.556 -1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.472 17.076 -3.275 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.540 15.405 -2.751 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.506 16.026 -1.830 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.508 16.617 -0.517 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.816 18.872 -1.265 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.933 16.632 -3.062 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.583 17.950 -4.043 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.506 20.372 -2.816 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.822 19.939 -3.912 1.00 0.00 H new ATOM 805 N TRP A 53 -0.530 14.263 -3.581 1.00 0.00 N ATOM 806 CA TRP A 53 -0.883 13.115 -4.487 1.00 0.00 C ATOM 807 C TRP A 53 -2.290 12.609 -4.093 1.00 0.00 C ATOM 808 O TRP A 53 -2.429 12.012 -3.031 1.00 0.00 O ATOM 809 CB TRP A 53 0.273 12.104 -4.397 1.00 0.00 C ATOM 810 CG TRP A 53 0.076 10.584 -4.713 1.00 0.00 C ATOM 811 CD1 TRP A 53 -1.008 9.912 -5.350 1.00 0.00 C ATOM 812 CD2 TRP A 53 0.923 9.549 -4.317 1.00 0.00 C ATOM 813 NE1 TRP A 53 -0.861 8.515 -5.341 1.00 0.00 N ATOM 814 CE2 TRP A 53 0.340 8.312 -4.704 1.00 0.00 C ATOM 815 CE3 TRP A 53 2.159 9.556 -3.597 1.00 0.00 C ATOM 816 CZ2 TRP A 53 0.997 7.091 -4.397 1.00 0.00 C ATOM 817 CZ3 TRP A 53 2.764 8.347 -3.286 1.00 0.00 C ATOM 818 CH2 TRP A 53 2.201 7.130 -3.703 1.00 0.00 C ATOM 0 H TRP A 53 0.088 14.016 -2.808 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.971 13.370 -5.543 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.057 12.464 -5.063 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.665 12.165 -3.382 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.851 10.422 -5.792 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.498 7.814 -5.719 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.615 10.489 -3.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.568 6.147 -4.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.681 8.342 -2.715 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.714 6.206 -3.480 1.00 0.00 H new ATOM 829 N ASP A 54 -3.304 12.855 -4.938 1.00 0.00 N ATOM 830 CA ASP A 54 -4.721 12.509 -4.623 1.00 0.00 C ATOM 831 C ASP A 54 -5.333 11.548 -5.709 1.00 0.00 C ATOM 832 O ASP A 54 -6.233 11.934 -6.463 1.00 0.00 O ATOM 833 CB ASP A 54 -5.486 13.858 -4.541 1.00 0.00 C ATOM 834 CG ASP A 54 -6.709 13.861 -3.635 1.00 0.00 C ATOM 835 OD1 ASP A 54 -7.134 12.792 -3.148 1.00 0.00 O ATOM 836 OD2 ASP A 54 -7.204 14.967 -3.334 1.00 0.00 O ATOM 0 H ASP A 54 -3.180 13.293 -5.851 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.797 11.965 -3.681 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.796 14.627 -4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.799 14.141 -5.546 1.00 0.00 H new ATOM 841 N TYR A 55 -4.806 10.317 -5.851 1.00 0.00 N ATOM 842 CA TYR A 55 -5.102 9.470 -7.046 1.00 0.00 C ATOM 843 C TYR A 55 -5.996 8.236 -6.657 1.00 0.00 C ATOM 844 O TYR A 55 -5.486 7.151 -6.366 1.00 0.00 O ATOM 845 CB TYR A 55 -3.811 8.954 -7.732 1.00 0.00 C ATOM 846 CG TYR A 55 -2.772 9.904 -8.351 1.00 0.00 C ATOM 847 CD1 TYR A 55 -2.810 11.316 -8.309 1.00 0.00 C ATOM 848 CD2 TYR A 55 -1.636 9.292 -8.888 1.00 0.00 C ATOM 849 CE1 TYR A 55 -1.706 12.070 -8.720 1.00 0.00 C ATOM 850 CE2 TYR A 55 -0.544 10.049 -9.318 1.00 0.00 C ATOM 851 CZ TYR A 55 -0.568 11.433 -9.211 1.00 0.00 C ATOM 852 OH TYR A 55 0.538 12.155 -9.551 1.00 0.00 O ATOM 0 H TYR A 55 -4.182 9.883 -5.171 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.638 10.109 -7.747 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.283 8.353 -6.992 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.128 8.277 -8.526 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.699 11.817 -7.956 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.602 8.216 -8.972 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.736 13.148 -8.657 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.322 9.556 -9.735 1.00 0.00 H new ATOM 0 HH TYR A 55 1.288 11.546 -9.717 1.00 0.00 H new ATOM 862 N THR A 56 -7.326 8.405 -6.699 1.00 0.00 N ATOM 863 CA THR A 56 -8.273 7.306 -6.321 1.00 0.00 C ATOM 864 C THR A 56 -8.818 6.547 -7.567 1.00 0.00 C ATOM 865 O THR A 56 -9.513 7.115 -8.416 1.00 0.00 O ATOM 866 CB THR A 56 -9.349 7.852 -5.366 1.00 0.00 C ATOM 867 OG1 THR A 56 -8.705 8.165 -4.136 1.00 0.00 O ATOM 868 CG2 THR A 56 -10.441 6.881 -4.963 1.00 0.00 C ATOM 0 H THR A 56 -7.780 9.272 -6.984 1.00 0.00 H new ATOM 0 HA THR A 56 -7.737 6.535 -5.767 1.00 0.00 H new ATOM 0 HB THR A 56 -9.808 8.678 -5.909 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.162 8.920 -3.710 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.140 7.378 -4.290 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.973 6.542 -5.852 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.997 6.024 -4.457 1.00 0.00 H new ATOM 876 N SER A 57 -8.498 5.251 -7.636 1.00 0.00 N ATOM 877 CA SER A 57 -8.976 4.298 -8.663 1.00 0.00 C ATOM 878 C SER A 57 -9.297 2.890 -8.037 1.00 0.00 C ATOM 879 O SER A 57 -9.610 2.758 -6.850 1.00 0.00 O ATOM 880 CB SER A 57 -7.897 4.328 -9.779 1.00 0.00 C ATOM 881 OG SER A 57 -6.682 3.683 -9.409 1.00 0.00 O ATOM 0 H SER A 57 -7.876 4.813 -6.956 1.00 0.00 H new ATOM 0 HA SER A 57 -9.935 4.571 -9.102 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.296 3.849 -10.673 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.684 5.365 -10.041 1.00 0.00 H new ATOM 0 HG SER A 57 -6.045 3.734 -10.152 1.00 0.00 H new ATOM 887 N THR A 58 -9.262 1.835 -8.857 1.00 0.00 N ATOM 888 CA THR A 58 -9.214 0.422 -8.375 1.00 0.00 C ATOM 889 C THR A 58 -8.338 -0.474 -9.308 1.00 0.00 C ATOM 890 O THR A 58 -8.349 -0.331 -10.533 1.00 0.00 O ATOM 891 CB THR A 58 -10.618 -0.183 -8.096 1.00 0.00 C ATOM 892 OG1 THR A 58 -10.481 -1.482 -7.515 1.00 0.00 O ATOM 893 CG2 THR A 58 -11.542 -0.330 -9.296 1.00 0.00 C ATOM 0 H THR A 58 -9.266 1.920 -9.873 1.00 0.00 H new ATOM 0 HA THR A 58 -8.722 0.444 -7.403 1.00 0.00 H new ATOM 0 HB THR A 58 -11.082 0.546 -7.431 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.369 -1.857 -7.340 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.490 -0.762 -8.975 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.722 0.650 -9.739 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.077 -0.983 -10.035 1.00 0.00 H new ATOM 901 N GLN A 59 -7.613 -1.430 -8.707 1.00 0.00 N ATOM 902 CA GLN A 59 -6.742 -2.393 -9.446 1.00 0.00 C ATOM 903 C GLN A 59 -6.667 -3.750 -8.669 1.00 0.00 C ATOM 904 O GLN A 59 -6.822 -3.812 -7.443 1.00 0.00 O ATOM 905 CB GLN A 59 -5.377 -1.705 -9.696 1.00 0.00 C ATOM 906 CG GLN A 59 -4.270 -2.509 -10.397 1.00 0.00 C ATOM 907 CD GLN A 59 -4.597 -3.023 -11.789 1.00 0.00 C ATOM 908 OE1 GLN A 59 -5.266 -4.039 -11.954 1.00 0.00 O ATOM 909 NE2 GLN A 59 -4.156 -2.365 -12.831 1.00 0.00 N ATOM 0 H GLN A 59 -7.605 -1.568 -7.696 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.150 -2.654 -10.423 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.561 -0.808 -10.287 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.989 -1.377 -8.732 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.380 -1.883 -10.463 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.014 -3.361 -9.768 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.600 -1.520 -12.702 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.369 -2.697 -13.772 1.00 0.00 H new ATOM 918 N ARG A 60 -6.481 -4.850 -9.413 1.00 0.00 N ATOM 919 CA ARG A 60 -6.387 -6.218 -8.835 1.00 0.00 C ATOM 920 C ARG A 60 -5.248 -7.007 -9.565 1.00 0.00 C ATOM 921 O ARG A 60 -5.489 -7.620 -10.609 1.00 0.00 O ATOM 922 CB ARG A 60 -7.760 -6.941 -8.974 1.00 0.00 C ATOM 923 CG ARG A 60 -8.826 -6.466 -7.968 1.00 0.00 C ATOM 924 CD ARG A 60 -10.225 -7.020 -8.275 1.00 0.00 C ATOM 925 NE ARG A 60 -11.209 -6.567 -7.252 1.00 0.00 N ATOM 926 CZ ARG A 60 -11.813 -5.379 -7.224 1.00 0.00 C ATOM 927 NH1 ARG A 60 -11.640 -4.455 -8.135 1.00 0.00 N ATOM 928 NH2 ARG A 60 -12.615 -5.117 -6.234 1.00 0.00 N ATOM 0 H ARG A 60 -6.391 -4.828 -10.429 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.143 -6.163 -7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.137 -6.790 -9.985 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -7.608 -8.013 -8.847 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.532 -6.771 -6.964 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.863 -5.377 -7.972 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.543 -6.689 -9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.193 -8.109 -8.298 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.441 -7.224 -6.507 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.014 -4.626 -8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.131 -3.565 -8.058 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.769 -5.813 -5.504 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.090 -4.216 -6.188 1.00 0.00 H new ATOM 942 N VAL A 61 -4.008 -6.942 -9.035 1.00 0.00 N ATOM 943 CA VAL A 61 -2.785 -7.286 -9.825 1.00 0.00 C ATOM 944 C VAL A 61 -1.845 -8.392 -9.257 1.00 0.00 C ATOM 945 O VAL A 61 -1.433 -9.258 -10.034 1.00 0.00 O ATOM 946 CB VAL A 61 -2.076 -5.946 -10.223 1.00 0.00 C ATOM 947 CG1 VAL A 61 -1.368 -5.186 -9.095 1.00 0.00 C ATOM 948 CG2 VAL A 61 -1.100 -6.138 -11.398 1.00 0.00 C ATOM 0 H VAL A 61 -3.818 -6.658 -8.074 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.118 -7.812 -10.720 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.915 -5.315 -10.518 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.917 -4.278 -9.495 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.092 -4.922 -8.324 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.591 -5.817 -8.663 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.631 -5.185 -11.641 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.332 -6.860 -11.119 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.645 -6.506 -12.267 1.00 0.00 H new ATOM 958 N ASP A 62 -1.432 -8.344 -7.982 1.00 0.00 N ATOM 959 CA ASP A 62 -0.260 -9.127 -7.492 1.00 0.00 C ATOM 960 C ASP A 62 -0.614 -10.548 -6.933 1.00 0.00 C ATOM 961 O ASP A 62 -1.761 -10.904 -6.654 1.00 0.00 O ATOM 962 CB ASP A 62 0.471 -8.198 -6.484 1.00 0.00 C ATOM 963 CG ASP A 62 1.796 -8.708 -5.937 1.00 0.00 C ATOM 964 OD1 ASP A 62 2.680 -9.092 -6.734 1.00 0.00 O ATOM 965 OD2 ASP A 62 1.964 -8.806 -4.704 1.00 0.00 O ATOM 0 H ASP A 62 -1.883 -7.777 -7.264 1.00 0.00 H new ATOM 0 HA ASP A 62 0.400 -9.391 -8.318 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.648 -7.238 -6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.197 -8.012 -5.643 1.00 0.00 H new ATOM 970 N ARG A 63 0.456 -11.340 -6.773 1.00 0.00 N ATOM 971 CA ARG A 63 0.435 -12.712 -6.210 1.00 0.00 C ATOM 972 C ARG A 63 -0.209 -12.830 -4.772 1.00 0.00 C ATOM 973 O ARG A 63 -1.126 -13.634 -4.583 1.00 0.00 O ATOM 974 CB ARG A 63 1.867 -13.345 -6.166 1.00 0.00 C ATOM 975 CG ARG A 63 2.860 -13.057 -7.318 1.00 0.00 C ATOM 976 CD ARG A 63 4.255 -12.586 -6.839 1.00 0.00 C ATOM 977 NE ARG A 63 4.186 -11.280 -6.125 1.00 0.00 N ATOM 978 CZ ARG A 63 4.803 -10.983 -4.987 1.00 0.00 C ATOM 979 NH1 ARG A 63 5.794 -11.674 -4.486 1.00 0.00 N ATOM 980 NH2 ARG A 63 4.398 -9.942 -4.330 1.00 0.00 N ATOM 0 H ARG A 63 1.394 -11.040 -7.038 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.207 -13.262 -6.898 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.339 -13.022 -5.238 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.745 -14.426 -6.102 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.978 -13.960 -7.917 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.434 -12.295 -7.970 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.685 -13.339 -6.178 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.922 -12.496 -7.696 1.00 0.00 H new ATOM 0 HE ARG A 63 3.614 -10.549 -6.548 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.139 -12.499 -4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.222 -11.387 -3.605 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.627 -9.379 -4.691 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.850 -9.685 -3.452 1.00 0.00 H new ATOM 994 N LEU A 64 0.285 -12.031 -3.808 1.00 0.00 N ATOM 995 CA LEU A 64 -0.364 -11.820 -2.495 1.00 0.00 C ATOM 996 C LEU A 64 -1.260 -10.551 -2.420 1.00 0.00 C ATOM 997 O LEU A 64 -2.392 -10.681 -1.948 1.00 0.00 O ATOM 998 CB LEU A 64 0.601 -11.949 -1.292 1.00 0.00 C ATOM 999 CG LEU A 64 1.896 -11.115 -1.281 1.00 0.00 C ATOM 1000 CD1 LEU A 64 2.222 -10.652 0.145 1.00 0.00 C ATOM 1001 CD2 LEU A 64 3.081 -11.943 -1.805 1.00 0.00 C ATOM 0 H LEU A 64 1.154 -11.508 -3.917 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.055 -12.659 -2.407 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.040 -11.698 -0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.885 -12.998 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 64 1.738 -10.251 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.140 -10.064 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.403 -10.041 0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.355 -11.522 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.985 -11.335 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.221 -12.819 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.878 -12.263 -2.827 1.00 0.00 H new ATOM 1013 N ALA A 65 -0.821 -9.362 -2.888 1.00 0.00 N ATOM 1014 CA ALA A 65 -1.691 -8.154 -2.913 1.00 0.00 C ATOM 1015 C ALA A 65 -2.737 -8.183 -4.068 1.00 0.00 C ATOM 1016 O ALA A 65 -2.554 -7.618 -5.148 1.00 0.00 O ATOM 1017 CB ALA A 65 -0.773 -6.929 -2.899 1.00 0.00 C ATOM 0 H ALA A 65 0.120 -9.208 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.326 -8.117 -2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.377 -6.022 -2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.163 -6.942 -1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.124 -6.950 -3.775 1.00 0.00 H new ATOM 1023 N ARG A 66 -3.846 -8.886 -3.801 1.00 0.00 N ATOM 1024 CA ARG A 66 -4.867 -9.205 -4.839 1.00 0.00 C ATOM 1025 C ARG A 66 -5.982 -8.127 -5.002 1.00 0.00 C ATOM 1026 O ARG A 66 -6.354 -7.842 -6.137 1.00 0.00 O ATOM 1027 CB ARG A 66 -5.487 -10.610 -4.597 1.00 0.00 C ATOM 1028 CG ARG A 66 -4.464 -11.757 -4.716 1.00 0.00 C ATOM 1029 CD ARG A 66 -5.073 -13.149 -4.489 1.00 0.00 C ATOM 1030 NE ARG A 66 -3.996 -14.055 -4.008 1.00 0.00 N ATOM 1031 CZ ARG A 66 -3.797 -14.383 -2.733 1.00 0.00 C ATOM 1032 NH1 ARG A 66 -4.701 -14.286 -1.797 1.00 0.00 N ATOM 1033 NH2 ARG A 66 -2.622 -14.811 -2.381 1.00 0.00 N ATOM 0 H ARG A 66 -4.070 -9.251 -2.875 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.325 -9.207 -5.784 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.936 -10.635 -3.604 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.291 -10.773 -5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.009 -11.726 -5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.665 -11.597 -3.992 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.880 -13.096 -3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.505 -13.530 -5.414 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.365 -14.453 -4.704 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.633 -13.939 -2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.475 -14.557 -0.840 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.879 -14.889 -3.075 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.443 -15.069 -1.411 1.00 0.00 H new ATOM 1047 N THR A 67 -6.499 -7.532 -3.916 1.00 0.00 N ATOM 1048 CA THR A 67 -7.184 -6.210 -3.970 1.00 0.00 C ATOM 1049 C THR A 67 -6.137 -5.104 -3.634 1.00 0.00 C ATOM 1050 O THR A 67 -5.743 -4.941 -2.477 1.00 0.00 O ATOM 1051 CB THR A 67 -8.428 -6.147 -3.025 1.00 0.00 C ATOM 1052 OG1 THR A 67 -8.266 -6.850 -1.796 1.00 0.00 O ATOM 1053 CG2 THR A 67 -9.675 -6.729 -3.697 1.00 0.00 C ATOM 0 H THR A 67 -6.461 -7.939 -2.982 1.00 0.00 H new ATOM 0 HA THR A 67 -7.577 -6.048 -4.974 1.00 0.00 H new ATOM 0 HB THR A 67 -8.539 -5.083 -2.814 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.082 -6.764 -1.260 1.00 0.00 H new ATOM 0 HG21 THR A 67 -10.520 -6.669 -3.011 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.900 -6.162 -4.600 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.494 -7.772 -3.959 1.00 0.00 H new ATOM 1061 N GLU A 68 -5.649 -4.401 -4.663 1.00 0.00 N ATOM 1062 CA GLU A 68 -4.373 -3.640 -4.584 1.00 0.00 C ATOM 1063 C GLU A 68 -4.533 -2.317 -5.349 1.00 0.00 C ATOM 1064 O GLU A 68 -4.457 -2.272 -6.580 1.00 0.00 O ATOM 1065 CB GLU A 68 -3.247 -4.559 -5.105 1.00 0.00 C ATOM 1066 CG GLU A 68 -1.899 -3.943 -5.496 1.00 0.00 C ATOM 1067 CD GLU A 68 -1.222 -2.991 -4.543 1.00 0.00 C ATOM 1068 OE1 GLU A 68 -0.636 -3.442 -3.540 1.00 0.00 O ATOM 1069 OE2 GLU A 68 -1.184 -1.776 -4.846 1.00 0.00 O ATOM 0 H GLU A 68 -6.113 -4.337 -5.569 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.106 -3.358 -3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.055 -5.309 -4.338 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.632 -5.087 -5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.207 -4.763 -5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.040 -3.417 -6.440 1.00 0.00 H new ATOM 1076 N ILE A 69 -4.703 -1.221 -4.602 1.00 0.00 N ATOM 1077 CA ILE A 69 -4.590 0.141 -5.166 1.00 0.00 C ATOM 1078 C ILE A 69 -4.043 1.133 -4.100 1.00 0.00 C ATOM 1079 O ILE A 69 -4.369 1.090 -2.908 1.00 0.00 O ATOM 1080 CB ILE A 69 -5.882 0.604 -5.909 1.00 0.00 C ATOM 1081 CG1 ILE A 69 -5.695 1.881 -6.764 1.00 0.00 C ATOM 1082 CG2 ILE A 69 -7.083 0.779 -4.968 1.00 0.00 C ATOM 1083 CD1 ILE A 69 -4.676 1.749 -7.895 1.00 0.00 C ATOM 0 H ILE A 69 -4.919 -1.244 -3.605 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.845 0.123 -5.962 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.095 -0.216 -6.594 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.658 2.160 -7.192 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.388 2.698 -6.110 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.951 1.102 -5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.304 -0.170 -4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.848 1.530 -4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.612 2.691 -8.439 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.699 1.504 -7.478 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.989 0.957 -8.576 1.00 0.00 H new ATOM 1095 N LYS A 70 -3.239 2.073 -4.611 1.00 0.00 N ATOM 1096 CA LYS A 70 -2.818 3.281 -3.859 1.00 0.00 C ATOM 1097 C LYS A 70 -3.815 4.456 -4.071 1.00 0.00 C ATOM 1098 O LYS A 70 -3.491 5.480 -4.678 1.00 0.00 O ATOM 1099 CB LYS A 70 -1.333 3.627 -4.160 1.00 0.00 C ATOM 1100 CG LYS A 70 -0.884 3.656 -5.628 1.00 0.00 C ATOM 1101 CD LYS A 70 0.371 2.837 -5.966 1.00 0.00 C ATOM 1102 CE LYS A 70 0.477 1.367 -5.520 1.00 0.00 C ATOM 1103 NZ LYS A 70 -0.708 0.550 -5.898 1.00 0.00 N ATOM 0 H LYS A 70 -2.857 2.026 -5.556 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.857 3.072 -2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.123 4.605 -3.727 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.708 2.905 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.706 3.295 -6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.704 4.693 -5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.488 2.856 -7.050 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.226 3.366 -5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.370 0.924 -5.961 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.604 1.331 -4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.925 -0.121 -5.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.525 1.175 -6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.503 0.024 -6.772 1.00 0.00 H new ATOM 1117 N ASN A 71 -5.005 4.322 -3.458 1.00 0.00 N ATOM 1118 CA ASN A 71 -5.981 5.442 -3.309 1.00 0.00 C ATOM 1119 C ASN A 71 -5.544 6.346 -2.107 1.00 0.00 C ATOM 1120 O ASN A 71 -6.089 6.289 -1.003 1.00 0.00 O ATOM 1121 CB ASN A 71 -7.387 4.854 -3.051 1.00 0.00 C ATOM 1122 CG ASN A 71 -8.023 4.076 -4.178 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -7.532 4.029 -5.299 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -9.137 3.434 -3.927 1.00 0.00 N ATOM 0 H ASN A 71 -5.326 3.444 -3.051 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.006 6.044 -4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.326 4.201 -2.181 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.054 5.675 -2.787 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.593 2.897 -4.664 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.548 3.471 -2.994 1.00 0.00 H new ATOM 1131 N PHE A 72 -4.455 7.084 -2.311 1.00 0.00 N ATOM 1132 CA PHE A 72 -3.545 7.457 -1.195 1.00 0.00 C ATOM 1133 C PHE A 72 -3.396 8.982 -1.201 1.00 0.00 C ATOM 1134 O PHE A 72 -2.470 9.510 -1.821 1.00 0.00 O ATOM 1135 CB PHE A 72 -2.246 6.651 -1.450 1.00 0.00 C ATOM 1136 CG PHE A 72 -1.172 6.720 -0.363 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -1.296 5.970 0.815 1.00 0.00 C ATOM 1138 CD2 PHE A 72 0.007 7.449 -0.574 1.00 0.00 C ATOM 1139 CE1 PHE A 72 -0.252 5.919 1.741 1.00 0.00 C ATOM 1140 CE2 PHE A 72 1.041 7.420 0.365 1.00 0.00 C ATOM 1141 CZ PHE A 72 0.917 6.640 1.511 1.00 0.00 C ATOM 0 H PHE A 72 -4.171 7.440 -3.224 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.898 7.212 -0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.517 5.605 -1.595 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.807 6.999 -2.385 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.209 5.426 1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.117 8.039 -1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.351 5.321 2.635 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.936 8.002 0.202 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.728 6.594 2.223 1.00 0.00 H new ATOM 1151 N THR A 73 -4.320 9.687 -0.521 1.00 0.00 N ATOM 1152 CA THR A 73 -4.349 11.172 -0.546 1.00 0.00 C ATOM 1153 C THR A 73 -3.286 11.737 0.432 1.00 0.00 C ATOM 1154 O THR A 73 -3.516 11.876 1.638 1.00 0.00 O ATOM 1155 CB THR A 73 -5.780 11.727 -0.338 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.639 11.224 -1.356 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.816 13.249 -0.465 1.00 0.00 C ATOM 0 H THR A 73 -5.052 9.263 0.049 1.00 0.00 H new ATOM 0 HA THR A 73 -4.071 11.524 -1.539 1.00 0.00 H new ATOM 0 HB THR A 73 -6.098 11.423 0.659 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.502 11.734 -2.181 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.836 13.603 -0.313 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.162 13.692 0.286 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.476 13.539 -1.459 1.00 0.00 H new ATOM 1165 N VAL A 74 -2.102 12.008 -0.125 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.875 12.282 0.662 1.00 0.00 C ATOM 1167 C VAL A 74 -0.353 13.708 0.390 1.00 0.00 C ATOM 1168 O VAL A 74 -0.107 14.115 -0.747 1.00 0.00 O ATOM 1169 CB VAL A 74 0.176 11.147 0.512 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.668 10.894 -0.912 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.438 11.397 1.371 1.00 0.00 C ATOM 0 H VAL A 74 -1.957 12.046 -1.134 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.123 12.270 1.723 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.380 10.272 0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.397 10.084 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.176 10.618 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.134 11.799 -1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.142 10.576 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.907 12.333 1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.156 11.459 2.422 1.00 0.00 H new ATOM 1181 N PHE A 75 -0.182 14.445 1.484 1.00 0.00 N ATOM 1182 CA PHE A 75 0.048 15.903 1.463 1.00 0.00 C ATOM 1183 C PHE A 75 1.565 16.223 1.536 1.00 0.00 C ATOM 1184 O PHE A 75 2.281 15.716 2.408 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.691 16.503 2.691 1.00 0.00 C ATOM 1186 CG PHE A 75 -2.220 16.528 2.542 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.845 17.624 1.937 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -3.014 15.454 2.982 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.234 17.678 1.830 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -4.402 15.495 2.849 1.00 0.00 C ATOM 1191 CZ PHE A 75 -5.012 16.613 2.286 1.00 0.00 C ATOM 0 H PHE A 75 -0.198 14.051 2.425 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.329 16.334 0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.431 15.925 3.578 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.335 17.520 2.857 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.246 18.435 1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.545 14.589 3.427 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.708 18.545 1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.002 14.661 3.182 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.088 16.656 2.202 1.00 0.00 H new ATOM 1201 N PHE A 76 2.033 17.075 0.620 1.00 0.00 N ATOM 1202 CA PHE A 76 3.471 17.427 0.508 1.00 0.00 C ATOM 1203 C PHE A 76 3.695 18.956 0.725 1.00 0.00 C ATOM 1204 O PHE A 76 2.884 19.782 0.293 1.00 0.00 O ATOM 1205 CB PHE A 76 4.036 16.989 -0.872 1.00 0.00 C ATOM 1206 CG PHE A 76 3.976 15.473 -1.156 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.598 14.538 -0.308 1.00 0.00 C ATOM 1208 CD2 PHE A 76 3.286 14.999 -2.279 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.507 13.171 -0.570 1.00 0.00 C ATOM 1210 CE2 PHE A 76 3.216 13.632 -2.553 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.824 12.722 -1.695 1.00 0.00 C ATOM 0 H PHE A 76 1.440 17.543 -0.065 1.00 0.00 H new ATOM 0 HA PHE A 76 4.008 16.891 1.291 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.485 17.511 -1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.074 17.315 -0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.151 14.882 0.554 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.802 15.701 -2.942 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.967 12.461 0.101 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.691 13.282 -3.429 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.766 11.664 -1.903 1.00 0.00 H new ATOM 1221 N GLU A 77 4.813 19.328 1.370 1.00 0.00 N ATOM 1222 CA GLU A 77 5.199 20.766 1.541 1.00 0.00 C ATOM 1223 C GLU A 77 5.773 21.362 0.212 1.00 0.00 C ATOM 1224 O GLU A 77 5.118 22.160 -0.460 1.00 0.00 O ATOM 1225 CB GLU A 77 6.152 20.814 2.759 1.00 0.00 C ATOM 1226 CG GLU A 77 6.575 22.230 3.188 1.00 0.00 C ATOM 1227 CD GLU A 77 7.759 22.224 4.135 1.00 0.00 C ATOM 1228 OE1 GLU A 77 7.568 22.066 5.356 1.00 0.00 O ATOM 1229 OE2 GLU A 77 8.903 22.395 3.662 1.00 0.00 O ATOM 0 H GLU A 77 5.471 18.668 1.784 1.00 0.00 H new ATOM 0 HA GLU A 77 4.345 21.411 1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.667 20.323 3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.047 20.237 2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.826 22.814 2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.732 22.727 3.669 1.00 0.00 H new ATOM 1236 N ASN A 78 6.966 20.902 -0.186 1.00 0.00 N ATOM 1237 CA ASN A 78 7.279 20.663 -1.620 1.00 0.00 C ATOM 1238 C ASN A 78 7.840 19.211 -1.752 1.00 0.00 C ATOM 1239 O ASN A 78 7.218 18.378 -2.413 1.00 0.00 O ATOM 1240 CB ASN A 78 8.180 21.774 -2.205 1.00 0.00 C ATOM 1241 CG ASN A 78 8.328 21.700 -3.726 1.00 0.00 C ATOM 1242 OD1 ASN A 78 8.677 20.673 -4.305 1.00 0.00 O ATOM 1243 ND2 ASN A 78 8.039 22.757 -4.439 1.00 0.00 N ATOM 0 H ASN A 78 7.732 20.686 0.452 1.00 0.00 H new ATOM 0 HA ASN A 78 6.381 20.724 -2.235 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.767 22.746 -1.935 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.167 21.709 -1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.105 22.720 -5.456 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.747 23.619 -3.978 1.00 0.00 H new ATOM 1250 N GLU A 79 8.989 18.906 -1.129 1.00 0.00 N ATOM 1251 CA GLU A 79 9.465 17.513 -0.972 1.00 0.00 C ATOM 1252 C GLU A 79 8.929 16.807 0.313 1.00 0.00 C ATOM 1253 O GLU A 79 8.478 15.669 0.193 1.00 0.00 O ATOM 1254 CB GLU A 79 11.009 17.467 -1.067 1.00 0.00 C ATOM 1255 CG GLU A 79 11.594 17.421 -2.493 1.00 0.00 C ATOM 1256 CD GLU A 79 11.267 16.184 -3.317 1.00 0.00 C ATOM 1257 OE1 GLU A 79 11.539 15.046 -2.880 1.00 0.00 O ATOM 1258 OE2 GLU A 79 10.714 16.346 -4.425 1.00 0.00 O ATOM 0 H GLU A 79 9.611 19.605 -0.723 1.00 0.00 H new ATOM 0 HA GLU A 79 9.047 16.936 -1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.411 18.343 -0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.362 16.591 -0.522 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.240 18.297 -3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.678 17.507 -2.421 1.00 0.00 H new ATOM 1265 N GLN A 80 8.979 17.408 1.519 1.00 0.00 N ATOM 1266 CA GLN A 80 8.724 16.649 2.776 1.00 0.00 C ATOM 1267 C GLN A 80 7.236 16.281 3.028 1.00 0.00 C ATOM 1268 O GLN A 80 6.320 17.040 2.690 1.00 0.00 O ATOM 1269 CB GLN A 80 9.431 17.290 3.985 1.00 0.00 C ATOM 1270 CG GLN A 80 8.928 18.646 4.510 1.00 0.00 C ATOM 1271 CD GLN A 80 9.499 19.005 5.886 1.00 0.00 C ATOM 1272 OE1 GLN A 80 10.496 18.472 6.368 1.00 0.00 O ATOM 1273 NE2 GLN A 80 8.885 19.921 6.590 1.00 0.00 N ATOM 0 H GLN A 80 9.189 18.397 1.657 1.00 0.00 H new ATOM 0 HA GLN A 80 9.188 15.674 2.629 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.382 16.579 4.810 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.484 17.407 3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.194 19.427 3.797 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.840 18.626 4.568 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.055 20.381 6.216 1.00 0.00 H new ATOM 0 HE22 GLN A 80 9.236 20.176 7.513 1.00 0.00 H new ATOM 1282 N VAL A 81 7.008 15.082 3.589 1.00 0.00 N ATOM 1283 CA VAL A 81 5.658 14.458 3.620 1.00 0.00 C ATOM 1284 C VAL A 81 4.931 14.798 4.960 1.00 0.00 C ATOM 1285 O VAL A 81 5.477 14.589 6.048 1.00 0.00 O ATOM 1286 CB VAL A 81 5.711 12.900 3.408 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.309 12.372 3.039 1.00 0.00 C ATOM 1288 CG2 VAL A 81 6.710 12.406 2.346 1.00 0.00 C ATOM 0 H VAL A 81 7.736 14.519 4.029 1.00 0.00 H new ATOM 0 HA VAL A 81 5.094 14.877 2.787 1.00 0.00 H new ATOM 0 HB VAL A 81 6.063 12.507 4.362 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.353 11.293 2.894 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.610 12.601 3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.971 12.848 2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.665 11.319 2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.455 12.838 1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.718 12.711 2.625 1.00 0.00 H new ATOM 1298 N VAL A 82 3.689 15.286 4.862 1.00 0.00 N ATOM 1299 CA VAL A 82 2.887 15.696 6.052 1.00 0.00 C ATOM 1300 C VAL A 82 2.028 14.493 6.573 1.00 0.00 C ATOM 1301 O VAL A 82 2.281 14.012 7.679 1.00 0.00 O ATOM 1302 CB VAL A 82 2.074 16.999 5.739 1.00 0.00 C ATOM 1303 CG1 VAL A 82 1.252 17.494 6.950 1.00 0.00 C ATOM 1304 CG2 VAL A 82 2.968 18.186 5.298 1.00 0.00 C ATOM 0 H VAL A 82 3.204 15.412 3.974 1.00 0.00 H new ATOM 0 HA VAL A 82 3.546 15.959 6.879 1.00 0.00 H new ATOM 0 HB VAL A 82 1.416 16.701 4.923 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.709 18.399 6.676 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.543 16.722 7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.923 17.711 7.781 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.344 19.057 5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.676 18.423 6.092 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.514 17.914 4.395 1.00 0.00 H new ATOM 1314 N ARG A 83 1.017 14.037 5.814 1.00 0.00 N ATOM 1315 CA ARG A 83 0.087 12.948 6.245 1.00 0.00 C ATOM 1316 C ARG A 83 -0.562 12.241 5.017 1.00 0.00 C ATOM 1317 O ARG A 83 -0.661 12.833 3.937 1.00 0.00 O ATOM 1318 CB ARG A 83 -0.927 13.464 7.295 1.00 0.00 C ATOM 1319 CG ARG A 83 -1.914 14.573 6.881 1.00 0.00 C ATOM 1320 CD ARG A 83 -3.235 14.086 6.275 1.00 0.00 C ATOM 1321 NE ARG A 83 -4.088 13.413 7.284 1.00 0.00 N ATOM 1322 CZ ARG A 83 -5.045 13.988 8.010 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -5.333 15.264 7.950 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -5.736 13.256 8.831 1.00 0.00 N ATOM 0 H ARG A 83 0.811 14.404 4.885 1.00 0.00 H new ATOM 0 HA ARG A 83 0.661 12.172 6.753 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.512 12.611 7.638 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.360 13.828 8.152 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.138 15.181 7.757 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.421 15.224 6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.774 14.933 5.850 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.027 13.397 5.457 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.927 12.417 7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.812 15.875 7.321 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.078 15.647 8.532 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.542 12.258 8.912 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.473 13.679 9.395 1.00 0.00 H new ATOM 1338 N TRP A 84 -0.985 10.977 5.182 1.00 0.00 N ATOM 1339 CA TRP A 84 -1.391 10.098 4.054 1.00 0.00 C ATOM 1340 C TRP A 84 -2.737 9.367 4.289 1.00 0.00 C ATOM 1341 O TRP A 84 -2.779 8.263 4.845 1.00 0.00 O ATOM 1342 CB TRP A 84 -0.286 9.113 3.650 1.00 0.00 C ATOM 1343 CG TRP A 84 0.489 8.282 4.697 1.00 0.00 C ATOM 1344 CD1 TRP A 84 0.200 6.974 5.182 1.00 0.00 C ATOM 1345 CD2 TRP A 84 1.763 8.566 5.171 1.00 0.00 C ATOM 1346 NE1 TRP A 84 1.272 6.444 5.927 1.00 0.00 N ATOM 1347 CE2 TRP A 84 2.232 7.437 5.895 1.00 0.00 C ATOM 1348 CE3 TRP A 84 2.627 9.689 4.950 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 3.574 7.411 6.370 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 3.921 9.643 5.441 1.00 0.00 C ATOM 1351 CH2 TRP A 84 4.391 8.513 6.131 1.00 0.00 C ATOM 0 H TRP A 84 -1.058 10.529 6.096 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.553 10.775 3.215 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.735 8.404 2.955 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.455 9.683 3.090 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.728 6.452 5.001 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.327 5.534 6.385 1.00 0.00 H new ATOM 0 HE3 TRP A 84 2.275 10.555 4.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.951 6.552 6.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.578 10.487 5.291 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.411 8.499 6.485 1.00 0.00 H new ATOM 1362 N GLU A 85 -3.832 9.982 3.826 1.00 0.00 N ATOM 1363 CA GLU A 85 -5.201 9.540 4.193 1.00 0.00 C ATOM 1364 C GLU A 85 -6.212 9.714 3.029 1.00 0.00 C ATOM 1365 O GLU A 85 -6.895 10.734 2.914 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.630 10.234 5.513 1.00 0.00 C ATOM 1367 CG GLU A 85 -5.188 9.450 6.773 1.00 0.00 C ATOM 1368 CD GLU A 85 -4.893 10.318 7.962 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -3.777 10.874 8.047 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -5.800 10.540 8.785 1.00 0.00 O ATOM 0 H GLU A 85 -3.807 10.785 3.198 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.194 8.466 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.204 11.237 5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.714 10.348 5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.971 8.740 7.040 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.299 8.867 6.532 1.00 0.00 H new ATOM 1377 N GLY A 86 -6.324 8.658 2.203 1.00 0.00 N ATOM 1378 CA GLY A 86 -7.495 8.447 1.330 1.00 0.00 C ATOM 1379 C GLY A 86 -8.230 7.146 1.698 1.00 0.00 C ATOM 1380 O GLY A 86 -8.798 7.050 2.787 1.00 0.00 O ATOM 0 H GLY A 86 -5.612 7.932 2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.177 9.292 1.420 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.174 8.406 0.289 1.00 0.00 H new ATOM 1384 N ASP A 87 -8.233 6.163 0.790 1.00 0.00 N ATOM 1385 CA ASP A 87 -8.900 4.848 1.028 1.00 0.00 C ATOM 1386 C ASP A 87 -8.123 3.683 0.330 1.00 0.00 C ATOM 1387 O ASP A 87 -8.629 3.034 -0.593 1.00 0.00 O ATOM 1388 CB ASP A 87 -10.375 4.991 0.587 1.00 0.00 C ATOM 1389 CG ASP A 87 -11.326 3.849 0.924 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -10.934 2.882 1.615 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -12.500 3.931 0.509 1.00 0.00 O ATOM 0 H ASP A 87 -7.784 6.240 -0.123 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.887 4.577 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -10.772 5.902 1.034 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.390 5.133 -0.494 1.00 0.00 H new ATOM 1396 N TYR A 88 -6.884 3.401 0.778 1.00 0.00 N ATOM 1397 CA TYR A 88 -6.014 2.375 0.135 1.00 0.00 C ATOM 1398 C TYR A 88 -6.268 0.925 0.630 1.00 0.00 C ATOM 1399 O TYR A 88 -6.839 0.710 1.710 1.00 0.00 O ATOM 1400 CB TYR A 88 -4.547 2.851 0.144 1.00 0.00 C ATOM 1401 CG TYR A 88 -3.607 2.609 1.335 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -4.013 2.413 2.673 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -2.240 2.628 1.060 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -3.066 2.256 3.691 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -1.293 2.465 2.074 1.00 0.00 C ATOM 1406 CZ TYR A 88 -1.705 2.292 3.390 1.00 0.00 C ATOM 1407 OH TYR A 88 -0.778 2.204 4.384 1.00 0.00 O ATOM 0 H TYR A 88 -6.456 3.864 1.580 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.297 2.287 -0.914 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.069 2.403 -0.727 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.568 3.928 -0.023 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.066 2.384 2.913 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.907 2.772 0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.389 2.107 4.711 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.240 2.473 1.835 1.00 0.00 H new ATOM 0 HH TYR A 88 0.046 1.809 4.029 1.00 0.00 H new ATOM 1417 N PHE A 89 -5.861 -0.067 -0.181 1.00 0.00 N ATOM 1418 CA PHE A 89 -6.231 -1.488 0.048 1.00 0.00 C ATOM 1419 C PHE A 89 -4.972 -2.341 0.481 1.00 0.00 C ATOM 1420 O PHE A 89 -4.257 -2.838 -0.397 1.00 0.00 O ATOM 1421 CB PHE A 89 -6.884 -2.100 -1.220 1.00 0.00 C ATOM 1422 CG PHE A 89 -8.211 -1.535 -1.775 1.00 0.00 C ATOM 1423 CD1 PHE A 89 -9.013 -0.563 -1.134 1.00 0.00 C ATOM 1424 CD2 PHE A 89 -8.638 -2.023 -3.017 1.00 0.00 C ATOM 1425 CE1 PHE A 89 -10.169 -0.072 -1.744 1.00 0.00 C ATOM 1426 CE2 PHE A 89 -9.800 -1.537 -3.624 1.00 0.00 C ATOM 1427 CZ PHE A 89 -10.558 -0.559 -2.988 1.00 0.00 C ATOM 0 H PHE A 89 -5.275 0.082 -1.003 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.958 -1.514 0.860 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.148 -2.037 -2.022 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.046 -3.159 -1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.728 -0.195 -0.159 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.060 -2.788 -3.514 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -10.761 0.685 -1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -10.109 -1.920 -4.585 1.00 0.00 H new ATOM 0 HZ PHE A 89 -11.451 -0.177 -3.461 1.00 0.00 H new ATOM 1437 N PRO A 90 -4.684 -2.579 1.792 1.00 0.00 N ATOM 1438 CA PRO A 90 -3.523 -3.429 2.226 1.00 0.00 C ATOM 1439 C PRO A 90 -3.851 -4.941 2.315 1.00 0.00 C ATOM 1440 O PRO A 90 -3.913 -5.537 3.394 1.00 0.00 O ATOM 1441 CB PRO A 90 -3.165 -2.768 3.582 1.00 0.00 C ATOM 1442 CG PRO A 90 -4.531 -2.324 4.159 1.00 0.00 C ATOM 1443 CD PRO A 90 -5.292 -1.837 2.917 1.00 0.00 C ATOM 0 HA PRO A 90 -2.694 -3.447 1.518 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -2.661 -3.470 4.247 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.495 -1.919 3.447 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.048 -3.148 4.651 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -4.418 -1.532 4.899 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.359 -2.045 2.999 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.187 -0.760 2.785 1.00 0.00 H new ATOM 1451 N SER A 91 -4.029 -5.572 1.149 1.00 0.00 N ATOM 1452 CA SER A 91 -4.435 -7.004 1.063 1.00 0.00 C ATOM 1453 C SER A 91 -3.246 -8.014 0.962 1.00 0.00 C ATOM 1454 O SER A 91 -3.224 -8.894 0.101 1.00 0.00 O ATOM 1455 CB SER A 91 -5.417 -7.128 -0.132 1.00 0.00 C ATOM 1456 OG SER A 91 -6.530 -6.240 0.004 1.00 0.00 O ATOM 0 H SER A 91 -3.901 -5.123 0.242 1.00 0.00 H new ATOM 0 HA SER A 91 -4.917 -7.286 1.999 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.889 -6.911 -1.061 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.777 -8.154 -0.202 1.00 0.00 H new ATOM 0 HG SER A 91 -7.316 -6.631 -0.431 1.00 0.00 H new ATOM 1462 N GLN A 92 -2.287 -7.911 1.890 1.00 0.00 N ATOM 1463 CA GLN A 92 -1.071 -8.754 1.900 1.00 0.00 C ATOM 1464 C GLN A 92 -1.295 -10.036 2.767 1.00 0.00 C ATOM 1465 O GLN A 92 -1.107 -10.011 3.988 1.00 0.00 O ATOM 1466 CB GLN A 92 0.156 -7.960 2.432 1.00 0.00 C ATOM 1467 CG GLN A 92 0.788 -6.921 1.492 1.00 0.00 C ATOM 1468 CD GLN A 92 0.157 -5.539 1.477 1.00 0.00 C ATOM 1469 OE1 GLN A 92 0.405 -4.700 2.339 1.00 0.00 O ATOM 1470 NE2 GLN A 92 -0.627 -5.226 0.474 1.00 0.00 N ATOM 0 H GLN A 92 -2.326 -7.242 2.659 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.868 -9.055 0.872 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -0.145 -7.448 3.346 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.928 -8.678 2.708 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.838 -6.812 1.763 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.760 -7.319 0.478 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.837 -5.919 -0.245 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.027 -4.290 0.413 1.00 0.00 H new ATOM 1479 N ASP A 93 -1.649 -11.158 2.120 1.00 0.00 N ATOM 1480 CA ASP A 93 -1.806 -12.474 2.824 1.00 0.00 C ATOM 1481 C ASP A 93 -0.534 -13.318 3.192 1.00 0.00 C ATOM 1482 O ASP A 93 -0.647 -14.377 3.814 1.00 0.00 O ATOM 1483 CB ASP A 93 -2.947 -13.285 2.190 1.00 0.00 C ATOM 1484 CG ASP A 93 -2.734 -13.971 0.852 1.00 0.00 C ATOM 1485 OD1 ASP A 93 -1.802 -13.648 0.089 1.00 0.00 O ATOM 1486 OD2 ASP A 93 -3.567 -14.837 0.507 1.00 0.00 O ATOM 0 H ASP A 93 -1.834 -11.197 1.118 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.076 -12.179 3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.237 -14.054 2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.800 -12.615 2.079 1.00 0.00 H new ATOM 1491 N GLU A 94 0.650 -12.756 2.942 1.00 0.00 N ATOM 1492 CA GLU A 94 1.834 -12.969 3.808 1.00 0.00 C ATOM 1493 C GLU A 94 2.323 -11.545 4.195 1.00 0.00 C ATOM 1494 O GLU A 94 2.776 -10.773 3.345 1.00 0.00 O ATOM 1495 CB GLU A 94 2.914 -13.798 3.074 1.00 0.00 C ATOM 1496 CG GLU A 94 4.047 -14.358 3.961 1.00 0.00 C ATOM 1497 CD GLU A 94 5.088 -13.381 4.481 1.00 0.00 C ATOM 1498 OE1 GLU A 94 6.047 -13.065 3.747 1.00 0.00 O ATOM 1499 OE2 GLU A 94 4.969 -12.923 5.637 1.00 0.00 O ATOM 0 H GLU A 94 0.825 -12.145 2.144 1.00 0.00 H new ATOM 0 HA GLU A 94 1.598 -13.547 4.702 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.425 -14.632 2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.359 -13.175 2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.589 -14.848 4.820 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.566 -15.130 3.393 1.00 0.00 H new ATOM 1506 N GLN A 95 2.234 -11.200 5.483 1.00 0.00 N ATOM 1507 CA GLN A 95 3.181 -10.224 6.080 1.00 0.00 C ATOM 1508 C GLN A 95 3.364 -10.547 7.585 1.00 0.00 C ATOM 1509 O GLN A 95 2.671 -9.989 8.443 1.00 0.00 O ATOM 1510 CB GLN A 95 2.770 -8.761 5.772 1.00 0.00 C ATOM 1511 CG GLN A 95 3.868 -7.740 6.146 1.00 0.00 C ATOM 1512 CD GLN A 95 3.715 -6.398 5.452 1.00 0.00 C ATOM 1513 OE1 GLN A 95 2.942 -5.541 5.860 1.00 0.00 O ATOM 1514 NE2 GLN A 95 4.456 -6.147 4.400 1.00 0.00 N ATOM 0 H GLN A 95 1.535 -11.567 6.129 1.00 0.00 H new ATOM 0 HA GLN A 95 4.163 -10.322 5.617 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.541 -8.669 4.710 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.857 -8.522 6.317 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.855 -7.585 7.225 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.842 -8.160 5.896 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.103 -6.854 4.052 1.00 0.00 H new ATOM 0 HE22 GLN A 95 4.385 -5.245 3.930 1.00 0.00 H new ATOM 1523 N LEU A 96 4.338 -11.419 7.904 1.00 0.00 N ATOM 1524 CA LEU A 96 4.678 -11.765 9.313 1.00 0.00 C ATOM 1525 C LEU A 96 5.577 -10.653 9.975 1.00 0.00 C ATOM 1526 O LEU A 96 6.783 -10.807 10.185 1.00 0.00 O ATOM 1527 CB LEU A 96 5.332 -13.173 9.365 1.00 0.00 C ATOM 1528 CG LEU A 96 4.357 -14.375 9.439 1.00 0.00 C ATOM 1529 CD1 LEU A 96 3.583 -14.630 8.143 1.00 0.00 C ATOM 1530 CD2 LEU A 96 5.155 -15.651 9.784 1.00 0.00 C ATOM 0 H LEU A 96 4.909 -11.902 7.210 1.00 0.00 H new ATOM 0 HA LEU A 96 3.762 -11.803 9.903 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.958 -13.293 8.481 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.992 -13.213 10.231 1.00 0.00 H new ATOM 0 HG LEU A 96 3.624 -14.126 10.207 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.923 -15.487 8.276 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.990 -13.750 7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.285 -14.835 7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.476 -16.502 9.838 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.903 -15.832 9.012 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.651 -15.521 10.746 1.00 0.00 H new ATOM 1542 N ALA A 97 4.931 -9.520 10.278 1.00 0.00 N ATOM 1543 CA ALA A 97 5.577 -8.293 10.788 1.00 0.00 C ATOM 1544 C ALA A 97 4.532 -7.384 11.522 1.00 0.00 C ATOM 1545 O ALA A 97 3.336 -7.690 11.608 1.00 0.00 O ATOM 1546 CB ALA A 97 6.247 -7.588 9.592 1.00 0.00 C ATOM 0 H ALA A 97 3.921 -9.424 10.175 1.00 0.00 H new ATOM 0 HA ALA A 97 6.339 -8.528 11.531 1.00 0.00 H new ATOM 0 HB1 ALA A 97 6.735 -6.675 9.934 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.989 -8.251 9.148 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.491 -7.338 8.847 1.00 0.00 H new ATOM 1552 N LYS A 98 4.986 -6.240 12.052 1.00 0.00 N ATOM 1553 CA LYS A 98 4.100 -5.269 12.769 1.00 0.00 C ATOM 1554 C LYS A 98 3.239 -4.368 11.804 1.00 0.00 C ATOM 1555 O LYS A 98 3.392 -3.142 11.726 1.00 0.00 O ATOM 1556 CB LYS A 98 5.058 -4.470 13.692 1.00 0.00 C ATOM 1557 CG LYS A 98 4.366 -3.600 14.753 1.00 0.00 C ATOM 1558 CD LYS A 98 5.153 -2.336 15.150 1.00 0.00 C ATOM 1559 CE LYS A 98 5.414 -1.284 14.050 1.00 0.00 C ATOM 1560 NZ LYS A 98 4.171 -0.912 13.326 1.00 0.00 N ATOM 0 H LYS A 98 5.963 -5.950 12.005 1.00 0.00 H new ATOM 0 HA LYS A 98 3.329 -5.779 13.346 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.721 -5.173 14.197 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.685 -3.829 13.072 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.387 -3.301 14.378 1.00 0.00 H new ATOM 0 HG3 LYS A 98 4.196 -4.203 15.645 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.616 -1.847 15.963 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.117 -2.651 15.549 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.852 -0.392 14.498 1.00 0.00 H new ATOM 0 HE3 LYS A 98 6.143 -1.675 13.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.343 -0.058 12.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.886 -1.693 12.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.413 -0.724 14.012 1.00 0.00 H new ATOM 1574 N ALA A 99 2.296 -5.014 11.107 1.00 0.00 N ATOM 1575 CA ALA A 99 1.555 -4.404 9.978 1.00 0.00 C ATOM 1576 C ALA A 99 0.191 -3.786 10.393 1.00 0.00 C ATOM 1577 O ALA A 99 -0.883 -4.343 10.144 1.00 0.00 O ATOM 1578 CB ALA A 99 1.423 -5.513 8.920 1.00 0.00 C ATOM 0 H ALA A 99 2.019 -5.976 11.304 1.00 0.00 H new ATOM 0 HA ALA A 99 2.096 -3.546 9.580 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.883 -5.128 8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.415 -5.841 8.611 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.877 -6.356 9.343 1.00 0.00 H new ATOM 1584 N ALA A 100 0.248 -2.599 11.014 1.00 0.00 N ATOM 1585 CA ALA A 100 -0.961 -1.888 11.490 1.00 0.00 C ATOM 1586 C ALA A 100 -1.530 -0.894 10.428 1.00 0.00 C ATOM 1587 O ALA A 100 -0.757 -0.053 9.950 1.00 0.00 O ATOM 1588 CB ALA A 100 -0.586 -1.170 12.797 1.00 0.00 C ATOM 0 H ALA A 100 1.120 -2.104 11.202 1.00 0.00 H new ATOM 0 HA ALA A 100 -1.762 -2.606 11.664 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.454 -0.633 13.179 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.259 -1.903 13.534 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.222 -0.464 12.605 1.00 0.00 H new ATOM 1594 N PRO A 101 -2.838 -0.904 10.040 1.00 0.00 N ATOM 1595 CA PRO A 101 -3.373 0.030 8.992 1.00 0.00 C ATOM 1596 C PRO A 101 -3.612 1.475 9.493 1.00 0.00 C ATOM 1597 O PRO A 101 -4.726 1.876 9.844 1.00 0.00 O ATOM 1598 CB PRO A 101 -4.639 -0.722 8.506 1.00 0.00 C ATOM 1599 CG PRO A 101 -5.125 -1.500 9.749 1.00 0.00 C ATOM 1600 CD PRO A 101 -3.819 -1.941 10.433 1.00 0.00 C ATOM 0 HA PRO A 101 -2.670 0.228 8.183 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.400 -0.029 8.149 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.409 -1.396 7.681 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -5.729 -0.872 10.404 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -5.741 -2.355 9.471 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -3.933 -1.992 11.516 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -3.508 -2.931 10.099 1.00 0.00 H new ATOM 1608 N LYS A 102 -2.530 2.269 9.490 1.00 0.00 N ATOM 1609 CA LYS A 102 -2.544 3.661 10.024 1.00 0.00 C ATOM 1610 C LYS A 102 -3.064 4.686 8.976 1.00 0.00 C ATOM 1611 O LYS A 102 -2.306 5.426 8.343 1.00 0.00 O ATOM 1612 CB LYS A 102 -1.113 3.921 10.551 1.00 0.00 C ATOM 1613 CG LYS A 102 -0.908 5.246 11.313 1.00 0.00 C ATOM 1614 CD LYS A 102 0.480 5.328 11.986 1.00 0.00 C ATOM 1615 CE LYS A 102 1.640 5.598 11.015 1.00 0.00 C ATOM 1616 NZ LYS A 102 2.928 5.203 11.644 1.00 0.00 N ATOM 0 H LYS A 102 -1.624 1.978 9.123 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.254 3.787 10.842 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.834 3.098 11.209 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -0.425 3.900 9.705 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -1.024 6.081 10.622 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.684 5.350 12.072 1.00 0.00 H new ATOM 0 HD2 LYS A 102 0.460 6.117 12.738 1.00 0.00 H new ATOM 0 HD3 LYS A 102 0.672 4.392 12.511 1.00 0.00 H new ATOM 0 HE2 LYS A 102 1.490 5.039 10.091 1.00 0.00 H new ATOM 0 HE3 LYS A 102 1.664 6.655 10.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 3.566 4.820 10.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.368 6.035 12.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.753 4.478 12.368 1.00 0.00 H new ATOM 1630 N GLN A 103 -4.394 4.703 8.831 1.00 0.00 N ATOM 1631 CA GLN A 103 -5.114 5.627 7.919 1.00 0.00 C ATOM 1632 C GLN A 103 -6.474 5.988 8.581 1.00 0.00 C ATOM 1633 O GLN A 103 -7.499 5.354 8.311 1.00 0.00 O ATOM 1634 CB GLN A 103 -5.203 4.949 6.525 1.00 0.00 C ATOM 1635 CG GLN A 103 -5.926 5.787 5.455 1.00 0.00 C ATOM 1636 CD GLN A 103 -5.588 5.410 4.021 1.00 0.00 C ATOM 1637 OE1 GLN A 103 -6.288 4.644 3.367 1.00 0.00 O ATOM 1638 NE2 GLN A 103 -4.510 5.923 3.472 1.00 0.00 N ATOM 0 H GLN A 103 -5.014 4.075 9.343 1.00 0.00 H new ATOM 0 HA GLN A 103 -4.602 6.575 7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.194 4.729 6.176 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -5.719 3.994 6.631 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -7.002 5.687 5.599 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -5.680 6.838 5.608 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -3.920 6.561 4.006 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -4.263 5.683 2.512 1.00 0.00 H new ATOM 1647 N PHE A 104 -6.461 6.998 9.471 1.00 0.00 N ATOM 1648 CA PHE A 104 -7.665 7.405 10.253 1.00 0.00 C ATOM 1649 C PHE A 104 -8.733 8.240 9.501 1.00 0.00 C ATOM 1650 O PHE A 104 -9.925 7.935 9.609 1.00 0.00 O ATOM 1651 CB PHE A 104 -7.280 7.930 11.653 1.00 0.00 C ATOM 1652 CG PHE A 104 -6.492 9.239 11.759 1.00 0.00 C ATOM 1653 CD1 PHE A 104 -5.087 9.235 11.734 1.00 0.00 C ATOM 1654 CD2 PHE A 104 -7.158 10.464 11.930 1.00 0.00 C ATOM 1655 CE1 PHE A 104 -4.369 10.426 11.862 1.00 0.00 C ATOM 1656 CE2 PHE A 104 -6.439 11.653 12.065 1.00 0.00 C ATOM 1657 CZ PHE A 104 -5.046 11.632 12.030 1.00 0.00 C ATOM 0 H PHE A 104 -5.631 7.555 9.674 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.224 6.482 10.409 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.200 8.052 12.224 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -6.698 7.153 12.148 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -4.557 8.302 11.615 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -8.237 10.486 11.957 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -3.290 10.412 11.831 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.962 12.589 12.197 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.490 12.552 12.133 1.00 0.00 H new ATOM 1667 N GLY A 105 -8.320 9.220 8.691 1.00 0.00 N ATOM 1668 CA GLY A 105 -9.188 9.825 7.655 1.00 0.00 C ATOM 1669 C GLY A 105 -9.474 8.917 6.441 1.00 0.00 C ATOM 1670 O GLY A 105 -8.913 9.107 5.363 1.00 0.00 O ATOM 0 H GLY A 105 -7.382 9.620 8.728 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.137 10.105 8.113 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.721 10.745 7.302 1.00 0.00 H new ATOM 1674 N ARG A 106 -10.377 7.951 6.641 1.00 0.00 N ATOM 1675 CA ARG A 106 -10.763 6.959 5.599 1.00 0.00 C ATOM 1676 C ARG A 106 -11.840 7.563 4.656 1.00 0.00 C ATOM 1677 O ARG A 106 -13.022 7.643 5.004 1.00 0.00 O ATOM 1678 CB ARG A 106 -11.195 5.698 6.382 1.00 0.00 C ATOM 1679 CG ARG A 106 -11.697 4.487 5.585 1.00 0.00 C ATOM 1680 CD ARG A 106 -10.798 3.889 4.501 1.00 0.00 C ATOM 1681 NE ARG A 106 -9.535 3.317 5.025 1.00 0.00 N ATOM 1682 CZ ARG A 106 -8.741 2.476 4.361 1.00 0.00 C ATOM 1683 NH1 ARG A 106 -8.989 1.995 3.169 1.00 0.00 N ATOM 1684 NH2 ARG A 106 -7.638 2.097 4.934 1.00 0.00 N ATOM 0 H ARG A 106 -10.868 7.824 7.526 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.954 6.688 4.920 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.346 5.372 6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -11.983 5.990 7.075 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -11.924 3.695 6.298 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -12.638 4.770 5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -11.348 3.110 3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -10.561 4.662 3.770 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.251 3.588 5.967 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.844 2.260 2.680 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -8.328 1.355 2.730 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -7.402 2.442 5.864 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -7.008 1.454 4.453 1.00 0.00 H new ATOM 1698 N ASN A 107 -11.399 8.050 3.487 1.00 0.00 N ATOM 1699 CA ASN A 107 -12.223 8.909 2.600 1.00 0.00 C ATOM 1700 C ASN A 107 -11.815 8.677 1.114 1.00 0.00 C ATOM 1701 O ASN A 107 -10.653 8.852 0.736 1.00 0.00 O ATOM 1702 CB ASN A 107 -12.012 10.385 3.036 1.00 0.00 C ATOM 1703 CG ASN A 107 -12.995 11.369 2.423 1.00 0.00 C ATOM 1704 OD1 ASN A 107 -12.738 11.994 1.401 1.00 0.00 O ATOM 1705 ND2 ASN A 107 -14.153 11.541 3.012 1.00 0.00 N ATOM 0 H ASN A 107 -10.464 7.865 3.123 1.00 0.00 H new ATOM 0 HA ASN A 107 -13.281 8.662 2.684 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -12.087 10.444 4.122 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -11.000 10.688 2.769 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -14.833 12.192 2.619 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -14.374 11.024 3.863 1.00 0.00 H new ATOM 1712 N LEU A 108 -12.789 8.326 0.267 1.00 0.00 N ATOM 1713 CA LEU A 108 -12.538 7.997 -1.170 1.00 0.00 C ATOM 1714 C LEU A 108 -12.354 9.282 -2.049 1.00 0.00 C ATOM 1715 O LEU A 108 -13.279 9.740 -2.724 1.00 0.00 O ATOM 1716 CB LEU A 108 -13.737 7.094 -1.572 1.00 0.00 C ATOM 1717 CG LEU A 108 -13.625 6.343 -2.916 1.00 0.00 C ATOM 1718 CD1 LEU A 108 -12.623 5.181 -2.841 1.00 0.00 C ATOM 1719 CD2 LEU A 108 -15.004 5.771 -3.300 1.00 0.00 C ATOM 0 H LEU A 108 -13.770 8.258 0.539 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.597 7.472 -1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -13.886 6.357 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.633 7.714 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.275 7.056 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.575 4.679 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -11.637 5.567 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.946 4.471 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -14.926 5.240 -4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -15.341 5.082 -2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -15.722 6.586 -3.398 1.00 0.00 H new ATOM 1731 N ALA A 109 -11.144 9.868 -1.998 1.00 0.00 N ATOM 1732 CA ALA A 109 -10.897 11.257 -2.434 1.00 0.00 C ATOM 1733 C ALA A 109 -10.027 11.361 -3.718 1.00 0.00 C ATOM 1734 O ALA A 109 -9.074 10.608 -3.948 1.00 0.00 O ATOM 1735 CB ALA A 109 -10.181 11.946 -1.255 1.00 0.00 C ATOM 0 H ALA A 109 -10.309 9.393 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 109 -11.845 11.729 -2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -9.968 12.983 -1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -10.821 11.916 -0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -9.247 11.426 -1.043 1.00 0.00 H new ATOM 1741 N ARG A 110 -10.392 12.345 -4.537 1.00 0.00 N ATOM 1742 CA ARG A 110 -9.638 12.717 -5.767 1.00 0.00 C ATOM 1743 C ARG A 110 -9.771 14.242 -6.067 1.00 0.00 C ATOM 1744 O ARG A 110 -10.858 14.817 -5.942 1.00 0.00 O ATOM 1745 CB ARG A 110 -10.146 11.827 -6.934 1.00 0.00 C ATOM 1746 CG ARG A 110 -9.252 11.851 -8.189 1.00 0.00 C ATOM 1747 CD ARG A 110 -9.484 10.621 -9.083 1.00 0.00 C ATOM 1748 NE ARG A 110 -8.545 10.687 -10.229 1.00 0.00 N ATOM 1749 CZ ARG A 110 -8.175 9.659 -10.986 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -8.536 8.418 -10.778 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -7.399 9.901 -12.001 1.00 0.00 N ATOM 0 H ARG A 110 -11.220 12.919 -4.379 1.00 0.00 H new ATOM 0 HA ARG A 110 -8.572 12.537 -5.630 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -10.229 10.799 -6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -11.149 12.150 -7.211 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -9.452 12.758 -8.760 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -8.205 11.889 -7.888 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -9.324 9.705 -8.515 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -10.514 10.600 -9.438 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.149 11.599 -10.456 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.142 8.188 -9.990 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.211 7.681 -11.404 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -7.094 10.855 -12.194 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.095 9.137 -12.604 1.00 0.00 H new ATOM 1765 N ASP A 111 -8.666 14.888 -6.487 1.00 0.00 N ATOM 1766 CA ASP A 111 -8.617 16.370 -6.624 1.00 0.00 C ATOM 1767 C ASP A 111 -9.403 16.953 -7.844 1.00 0.00 C ATOM 1768 O ASP A 111 -9.600 16.327 -8.890 1.00 0.00 O ATOM 1769 CB ASP A 111 -7.120 16.787 -6.672 1.00 0.00 C ATOM 1770 CG ASP A 111 -6.806 18.265 -6.437 1.00 0.00 C ATOM 1771 OD1 ASP A 111 -7.547 18.928 -5.673 1.00 0.00 O ATOM 1772 OD2 ASP A 111 -5.791 18.765 -6.962 1.00 0.00 O ATOM 0 H ASP A 111 -7.797 14.417 -6.738 1.00 0.00 H new ATOM 0 HA ASP A 111 -9.130 16.795 -5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -6.581 16.203 -5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -6.721 16.506 -7.646 1.00 0.00 H new ATOM 1777 N LYS A 112 -9.710 18.250 -7.695 1.00 0.00 N ATOM 1778 CA LYS A 112 -10.128 19.120 -8.832 1.00 0.00 C ATOM 1779 C LYS A 112 -8.845 19.694 -9.501 1.00 0.00 C ATOM 1780 O LYS A 112 -8.432 20.835 -9.272 1.00 0.00 O ATOM 1781 CB LYS A 112 -11.112 20.153 -8.237 1.00 0.00 C ATOM 1782 CG LYS A 112 -11.914 21.037 -9.215 1.00 0.00 C ATOM 1783 CD LYS A 112 -11.149 22.269 -9.721 1.00 0.00 C ATOM 1784 CE LYS A 112 -12.043 23.274 -10.462 1.00 0.00 C ATOM 1785 NZ LYS A 112 -11.203 24.445 -10.841 1.00 0.00 N ATOM 0 H LYS A 112 -9.680 18.733 -6.797 1.00 0.00 H new ATOM 0 HA LYS A 112 -10.654 18.610 -9.639 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -11.825 19.614 -7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.546 20.812 -7.578 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -12.214 20.433 -10.071 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -12.828 21.368 -8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -10.676 22.768 -8.875 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -10.349 21.944 -10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -12.479 22.815 -11.349 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -12.871 23.589 -9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -11.760 25.095 -11.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.891 24.941 -9.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.372 24.118 -11.374 1.00 0.00 H new ATOM 1799 N LYS A 113 -8.188 18.835 -10.301 1.00 0.00 N ATOM 1800 CA LYS A 113 -6.782 19.084 -10.748 1.00 0.00 C ATOM 1801 C LYS A 113 -6.674 19.968 -12.034 1.00 0.00 C ATOM 1802 O LYS A 113 -6.199 19.534 -13.086 1.00 0.00 O ATOM 1803 CB LYS A 113 -6.126 17.688 -10.883 1.00 0.00 C ATOM 1804 CG LYS A 113 -4.586 17.635 -10.965 1.00 0.00 C ATOM 1805 CD LYS A 113 -3.871 17.795 -9.612 1.00 0.00 C ATOM 1806 CE LYS A 113 -3.426 19.225 -9.276 1.00 0.00 C ATOM 1807 NZ LYS A 113 -3.413 19.393 -7.799 1.00 0.00 N ATOM 0 H LYS A 113 -8.592 17.968 -10.655 1.00 0.00 H new ATOM 0 HA LYS A 113 -6.246 19.687 -10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -6.439 17.084 -10.031 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -6.528 17.211 -11.777 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.291 16.684 -11.408 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.243 18.420 -11.638 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.536 17.443 -8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -2.995 17.147 -9.603 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -2.434 19.417 -9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.104 19.947 -9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -3.096 20.355 -7.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.371 19.242 -7.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -2.763 18.700 -7.377 1.00 0.00 H new ATOM 1821 N LYS A 114 -7.104 21.228 -11.901 1.00 0.00 N ATOM 1822 CA LYS A 114 -7.112 22.241 -12.979 1.00 0.00 C ATOM 1823 C LYS A 114 -7.696 23.570 -12.398 1.00 0.00 C ATOM 1824 O LYS A 114 -8.797 23.585 -11.836 1.00 0.00 O ATOM 1825 CB LYS A 114 -7.836 21.846 -14.302 1.00 0.00 C ATOM 1826 CG LYS A 114 -9.327 21.470 -14.219 1.00 0.00 C ATOM 1827 CD LYS A 114 -9.901 21.156 -15.617 1.00 0.00 C ATOM 1828 CE LYS A 114 -11.395 20.796 -15.557 1.00 0.00 C ATOM 1829 NZ LYS A 114 -11.901 20.537 -16.933 1.00 0.00 N ATOM 0 H LYS A 114 -7.467 21.588 -11.018 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.074 22.351 -13.293 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.739 22.679 -14.999 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -7.301 21.002 -14.737 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -9.451 20.604 -13.569 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -9.887 22.289 -13.768 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.762 22.019 -16.269 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -9.346 20.329 -16.060 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -11.542 19.915 -14.932 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -11.957 21.609 -15.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -12.935 20.646 -16.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -11.472 21.215 -17.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -11.650 19.569 -17.219 1.00 0.00 H new ATOM 1843 N GLN A 115 -6.993 24.692 -12.602 1.00 0.00 N ATOM 1844 CA GLN A 115 -7.541 26.054 -12.312 1.00 0.00 C ATOM 1845 C GLN A 115 -8.730 26.399 -13.262 1.00 0.00 C ATOM 1846 O GLN A 115 -9.884 26.156 -12.896 1.00 0.00 O ATOM 1847 CB GLN A 115 -6.351 27.038 -12.267 1.00 0.00 C ATOM 1848 CG GLN A 115 -6.720 28.462 -11.796 1.00 0.00 C ATOM 1849 CD GLN A 115 -5.539 29.425 -11.850 1.00 0.00 C ATOM 1850 OE1 GLN A 115 -5.195 29.959 -12.898 1.00 0.00 O ATOM 1851 NE2 GLN A 115 -4.881 29.684 -10.746 1.00 0.00 N ATOM 0 H GLN A 115 -6.041 24.699 -12.967 1.00 0.00 H new ATOM 0 HA GLN A 115 -8.015 26.120 -11.333 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -5.587 26.635 -11.603 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -5.909 27.100 -13.261 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -7.527 28.848 -12.419 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -7.099 28.416 -10.775 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -5.161 29.243 -9.870 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -4.089 30.326 -10.763 1.00 0.00 H new ATOM 1860 N ARG A 116 -8.445 26.852 -14.489 1.00 0.00 N ATOM 1861 CA ARG A 116 -9.382 26.699 -15.633 1.00 0.00 C ATOM 1862 C ARG A 116 -8.552 26.631 -16.957 1.00 0.00 C ATOM 1863 O ARG A 116 -8.356 27.641 -17.639 1.00 0.00 O ATOM 1864 CB ARG A 116 -10.461 27.810 -15.641 1.00 0.00 C ATOM 1865 CG ARG A 116 -11.813 27.432 -16.283 1.00 0.00 C ATOM 1866 CD ARG A 116 -11.835 26.903 -17.722 1.00 0.00 C ATOM 1867 NE ARG A 116 -11.322 27.904 -18.684 1.00 0.00 N ATOM 1868 CZ ARG A 116 -11.271 27.746 -20.001 1.00 0.00 C ATOM 1869 NH1 ARG A 116 -11.745 26.709 -20.644 1.00 0.00 N ATOM 1870 NH2 ARG A 116 -10.706 28.685 -20.702 1.00 0.00 N ATOM 0 H ARG A 116 -7.575 27.329 -14.726 1.00 0.00 H new ATOM 0 HA ARG A 116 -9.939 25.767 -15.534 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -10.643 28.120 -14.612 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -10.060 28.676 -16.168 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -12.278 26.677 -15.649 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -12.451 28.315 -16.248 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -11.233 25.997 -17.785 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -12.854 26.628 -17.993 1.00 0.00 H new ATOM 0 HE ARG A 116 -10.980 28.787 -18.304 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -12.192 25.950 -20.129 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -11.668 26.660 -21.660 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -10.321 29.507 -20.237 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -10.648 28.599 -21.717 1.00 0.00 H new ATOM 1884 N GLY A 117 -8.095 25.422 -17.320 1.00 0.00 N ATOM 1885 CA GLY A 117 -7.462 25.165 -18.634 1.00 0.00 C ATOM 1886 C GLY A 117 -8.473 24.874 -19.754 1.00 0.00 C ATOM 1887 O GLY A 117 -8.736 25.740 -20.590 1.00 0.00 O ATOM 0 H GLY A 117 -8.150 24.598 -16.721 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -6.860 26.030 -18.914 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -6.781 24.319 -18.541 1.00 0.00 H new ATOM 1891 N ARG A 118 -9.046 23.665 -19.723 1.00 0.00 N ATOM 1892 CA ARG A 118 -10.298 23.349 -20.454 1.00 0.00 C ATOM 1893 C ARG A 118 -11.483 23.384 -19.443 1.00 0.00 C ATOM 1894 O ARG A 118 -12.299 24.333 -19.506 1.00 0.00 O ATOM 1895 CB ARG A 118 -10.120 21.988 -21.168 1.00 0.00 C ATOM 1896 CG ARG A 118 -11.263 21.656 -22.151 1.00 0.00 C ATOM 1897 CD ARG A 118 -11.023 20.322 -22.872 1.00 0.00 C ATOM 1898 NE ARG A 118 -12.113 20.037 -23.843 1.00 0.00 N ATOM 1899 CZ ARG A 118 -12.125 20.396 -25.126 1.00 0.00 C ATOM 1900 NH1 ARG A 118 -11.177 21.100 -25.693 1.00 0.00 N ATOM 1901 NH2 ARG A 118 -13.137 20.033 -25.858 1.00 0.00 N ATOM 1902 OXT ARG A 118 -11.589 22.493 -18.567 1.00 0.00 O ATOM 0 H ARG A 118 -8.666 22.878 -19.198 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.524 24.082 -21.228 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.174 21.992 -21.710 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -10.055 21.199 -20.419 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -12.208 21.612 -21.609 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -11.354 22.456 -22.886 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -10.066 20.353 -23.393 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -10.962 19.515 -22.141 1.00 0.00 H new ATOM 0 HE ARG A 118 -12.922 19.522 -23.496 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -10.372 21.405 -25.146 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -11.244 21.343 -26.681 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -13.895 19.488 -25.447 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -13.173 20.294 -26.843 1.00 0.00 H new TER 1916 ARG A 118