USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 767 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 89 HIS : no HE2:sc= -1.22 K(o=-2.2,f=-3.9!) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= -0.961 USER MOD Set 2.1: A 58 HIS : no HD1:sc= -0.151 K(o=-0.15,f=-1.2) USER MOD Set 2.2: A 60 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 15 THR OG1 : rot -110:sc= -0.255 USER MOD Set 3.2: A 37 ASN : amide:sc= -1.49 K(o=-1.7,f=-5.5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0603 USER MOD Single : A 8 SER OG : rot 30:sc= 0.477 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.209 K(o=-0.21,f=-2.7!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -5.1! C(o=-5.1!,f=-4.4!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -161:sc= -0.0338 (180deg=-0.286) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.044) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.57 USER MOD Single : A 66 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0831) USER MOD Single : A 67 TYR OH : rot 179:sc= -0.0702 USER MOD Single : A 74 HIS : no HD1:sc= -3.13! K(o=-3.1!,f=-4.3) USER MOD Single : A 76 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.02) USER MOD Single : A 79 HIS : no HE2:sc= -11! C(o=-11!,f=-12!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.416 X(o=-0.42,f=0.035!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -2.02 K(o=-2,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.845 17.365 4.471 1.00 0.00 N ATOM 2 CA GLY A 1 5.275 18.720 4.765 1.00 0.00 C ATOM 3 C GLY A 1 4.471 19.354 5.883 1.00 0.00 C ATOM 4 O GLY A 1 4.591 18.960 7.043 1.00 0.00 O ATOM 0 H1 GLY A 1 5.425 16.976 3.700 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.955 16.774 5.320 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.846 17.373 4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.330 18.712 5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.185 19.330 3.866 1.00 0.00 H new ATOM 8 N SER A 2 3.650 20.339 5.534 1.00 0.00 N ATOM 9 CA SER A 2 2.827 21.033 6.518 1.00 0.00 C ATOM 10 C SER A 2 1.604 20.198 6.889 1.00 0.00 C ATOM 11 O SER A 2 1.210 19.294 6.153 1.00 0.00 O ATOM 12 CB SER A 2 2.384 22.393 5.977 1.00 0.00 C ATOM 13 OG SER A 2 3.498 23.245 5.766 1.00 0.00 O ATOM 0 H SER A 2 3.537 20.675 4.577 1.00 0.00 H new ATOM 0 HA SER A 2 3.428 21.185 7.415 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.844 22.257 5.040 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.693 22.860 6.679 1.00 0.00 H new ATOM 0 HG SER A 2 3.189 24.108 5.418 1.00 0.00 H new ATOM 19 N SER A 3 1.009 20.510 8.036 1.00 0.00 N ATOM 20 CA SER A 3 -0.167 19.787 8.508 1.00 0.00 C ATOM 21 C SER A 3 -1.052 20.689 9.362 1.00 0.00 C ATOM 22 O SER A 3 -0.565 21.421 10.222 1.00 0.00 O ATOM 23 CB SER A 3 0.254 18.556 9.312 1.00 0.00 C ATOM 24 OG SER A 3 -0.871 17.910 9.883 1.00 0.00 O ATOM 0 H SER A 3 1.321 21.258 8.655 1.00 0.00 H new ATOM 0 HA SER A 3 -0.739 19.465 7.638 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.787 17.860 8.664 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.946 18.852 10.100 1.00 0.00 H new ATOM 0 HG SER A 3 -0.575 17.125 10.390 1.00 0.00 H new ATOM 30 N GLY A 4 -2.358 20.630 9.118 1.00 0.00 N ATOM 31 CA GLY A 4 -3.291 21.445 9.872 1.00 0.00 C ATOM 32 C GLY A 4 -4.055 22.415 8.993 1.00 0.00 C ATOM 33 O GLY A 4 -5.254 22.249 8.770 1.00 0.00 O ATOM 0 H GLY A 4 -2.786 20.032 8.411 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.997 20.797 10.392 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.748 22.002 10.635 1.00 0.00 H new ATOM 37 N SER A 5 -3.360 23.432 8.494 1.00 0.00 N ATOM 38 CA SER A 5 -3.982 24.436 7.638 1.00 0.00 C ATOM 39 C SER A 5 -4.822 23.777 6.549 1.00 0.00 C ATOM 40 O SER A 5 -4.289 23.258 5.568 1.00 0.00 O ATOM 41 CB SER A 5 -2.914 25.330 7.005 1.00 0.00 C ATOM 42 OG SER A 5 -3.505 26.384 6.264 1.00 0.00 O ATOM 0 H SER A 5 -2.366 23.583 8.667 1.00 0.00 H new ATOM 0 HA SER A 5 -4.638 25.049 8.256 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.273 25.744 7.784 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.277 24.734 6.351 1.00 0.00 H new ATOM 0 HG SER A 5 -2.802 26.942 5.871 1.00 0.00 H new ATOM 48 N SER A 6 -6.139 23.801 6.729 1.00 0.00 N ATOM 49 CA SER A 6 -7.053 23.203 5.763 1.00 0.00 C ATOM 50 C SER A 6 -7.399 24.194 4.656 1.00 0.00 C ATOM 51 O SER A 6 -7.261 25.404 4.825 1.00 0.00 O ATOM 52 CB SER A 6 -8.331 22.735 6.462 1.00 0.00 C ATOM 53 OG SER A 6 -9.251 22.189 5.532 1.00 0.00 O ATOM 0 H SER A 6 -6.597 24.228 7.534 1.00 0.00 H new ATOM 0 HA SER A 6 -6.556 22.343 5.314 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.084 21.987 7.216 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.792 23.574 6.984 1.00 0.00 H new ATOM 0 HG SER A 6 -10.058 21.896 6.004 1.00 0.00 H new ATOM 59 N GLY A 7 -7.851 23.669 3.521 1.00 0.00 N ATOM 60 CA GLY A 7 -8.209 24.520 2.401 1.00 0.00 C ATOM 61 C GLY A 7 -8.609 23.725 1.174 1.00 0.00 C ATOM 62 O GLY A 7 -9.783 23.690 0.804 1.00 0.00 O ATOM 0 H GLY A 7 -7.976 22.670 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.033 25.172 2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.365 25.164 2.154 1.00 0.00 H new ATOM 66 N SER A 8 -7.631 23.087 0.539 1.00 0.00 N ATOM 67 CA SER A 8 -7.887 22.294 -0.657 1.00 0.00 C ATOM 68 C SER A 8 -6.811 21.228 -0.842 1.00 0.00 C ATOM 69 O SER A 8 -5.628 21.476 -0.607 1.00 0.00 O ATOM 70 CB SER A 8 -7.943 23.197 -1.891 1.00 0.00 C ATOM 71 OG SER A 8 -9.248 23.715 -2.085 1.00 0.00 O ATOM 0 H SER A 8 -6.654 23.104 0.833 1.00 0.00 H new ATOM 0 HA SER A 8 -8.850 21.797 -0.535 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.236 24.018 -1.777 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.637 22.633 -2.772 1.00 0.00 H new ATOM 0 HG SER A 8 -9.698 23.800 -1.219 1.00 0.00 H new ATOM 77 N ASP A 9 -7.230 20.040 -1.264 1.00 0.00 N ATOM 78 CA ASP A 9 -6.304 18.935 -1.482 1.00 0.00 C ATOM 79 C ASP A 9 -6.564 18.266 -2.828 1.00 0.00 C ATOM 80 O ASP A 9 -7.629 18.436 -3.422 1.00 0.00 O ATOM 81 CB ASP A 9 -6.428 17.908 -0.355 1.00 0.00 C ATOM 82 CG ASP A 9 -7.817 17.307 -0.270 1.00 0.00 C ATOM 83 OD1 ASP A 9 -8.418 17.047 -1.334 1.00 0.00 O ATOM 84 OD2 ASP A 9 -8.303 17.095 0.860 1.00 0.00 O ATOM 0 H ASP A 9 -8.206 19.818 -1.462 1.00 0.00 H new ATOM 0 HA ASP A 9 -5.291 19.337 -1.486 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -5.700 17.112 -0.511 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.182 18.383 0.595 1.00 0.00 H new ATOM 89 N ASP A 10 -5.584 17.505 -3.303 1.00 0.00 N ATOM 90 CA ASP A 10 -5.706 16.810 -4.579 1.00 0.00 C ATOM 91 C ASP A 10 -5.627 15.299 -4.385 1.00 0.00 C ATOM 92 O ASP A 10 -4.985 14.595 -5.164 1.00 0.00 O ATOM 93 CB ASP A 10 -4.611 17.270 -5.543 1.00 0.00 C ATOM 94 CG ASP A 10 -4.724 18.742 -5.888 1.00 0.00 C ATOM 95 OD1 ASP A 10 -4.283 19.579 -5.072 1.00 0.00 O ATOM 96 OD2 ASP A 10 -5.254 19.057 -6.973 1.00 0.00 O ATOM 0 H ASP A 10 -4.696 17.354 -2.824 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.679 17.054 -5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.635 17.078 -5.098 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.665 16.680 -6.458 1.00 0.00 H new ATOM 101 N ALA A 11 -6.283 14.807 -3.339 1.00 0.00 N ATOM 102 CA ALA A 11 -6.288 13.380 -3.042 1.00 0.00 C ATOM 103 C ALA A 11 -6.942 12.587 -4.169 1.00 0.00 C ATOM 104 O ALA A 11 -6.539 11.462 -4.463 1.00 0.00 O ATOM 105 CB ALA A 11 -7.003 13.117 -1.725 1.00 0.00 C ATOM 0 H ALA A 11 -6.818 15.376 -2.683 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.253 13.049 -2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.999 12.047 -1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.491 13.646 -0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.032 13.470 -1.793 1.00 0.00 H new ATOM 111 N ARG A 12 -7.952 13.181 -4.795 1.00 0.00 N ATOM 112 CA ARG A 12 -8.663 12.529 -5.888 1.00 0.00 C ATOM 113 C ARG A 12 -7.827 12.544 -7.165 1.00 0.00 C ATOM 114 O ARG A 12 -8.286 12.116 -8.224 1.00 0.00 O ATOM 115 CB ARG A 12 -10.005 13.220 -6.137 1.00 0.00 C ATOM 116 CG ARG A 12 -10.990 13.067 -4.990 1.00 0.00 C ATOM 117 CD ARG A 12 -12.372 13.576 -5.370 1.00 0.00 C ATOM 118 NE ARG A 12 -12.790 13.093 -6.684 1.00 0.00 N ATOM 119 CZ ARG A 12 -13.795 13.620 -7.375 1.00 0.00 C ATOM 120 NH1 ARG A 12 -14.481 14.640 -6.879 1.00 0.00 N ATOM 121 NH2 ARG A 12 -14.115 13.126 -8.564 1.00 0.00 N ATOM 0 H ARG A 12 -8.297 14.113 -4.564 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.843 11.492 -5.603 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.830 14.281 -6.316 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.451 12.813 -7.045 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.054 12.018 -4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.626 13.615 -4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.095 13.257 -4.619 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.370 14.666 -5.368 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.283 12.308 -7.093 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.238 15.022 -5.965 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.252 15.043 -7.411 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.589 12.341 -8.948 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.887 13.531 -9.094 1.00 0.00 H new ATOM 135 N ARG A 13 -6.599 13.039 -7.057 1.00 0.00 N ATOM 136 CA ARG A 13 -5.700 13.111 -8.202 1.00 0.00 C ATOM 137 C ARG A 13 -4.492 12.200 -8.004 1.00 0.00 C ATOM 138 O ARG A 13 -3.363 12.567 -8.332 1.00 0.00 O ATOM 139 CB ARG A 13 -5.235 14.551 -8.423 1.00 0.00 C ATOM 140 CG ARG A 13 -6.305 15.452 -9.019 1.00 0.00 C ATOM 141 CD ARG A 13 -7.301 15.907 -7.963 1.00 0.00 C ATOM 142 NE ARG A 13 -8.209 16.931 -8.473 1.00 0.00 N ATOM 143 CZ ARG A 13 -9.019 17.645 -7.699 1.00 0.00 C ATOM 144 NH1 ARG A 13 -9.033 17.449 -6.388 1.00 0.00 N ATOM 145 NH2 ARG A 13 -9.816 18.559 -8.237 1.00 0.00 N ATOM 0 H ARG A 13 -6.203 13.396 -6.187 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.247 12.774 -9.082 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.909 14.969 -7.470 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.367 14.546 -9.082 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.836 16.323 -9.477 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.831 14.919 -9.811 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.879 15.050 -7.616 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.762 16.298 -7.100 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.222 17.107 -9.478 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.421 16.748 -5.971 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.656 17.999 -5.797 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.807 18.714 -9.245 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.438 19.107 -7.642 1.00 0.00 H new ATOM 159 N LEU A 14 -4.737 11.011 -7.464 1.00 0.00 N ATOM 160 CA LEU A 14 -3.669 10.047 -7.220 1.00 0.00 C ATOM 161 C LEU A 14 -4.051 8.667 -7.747 1.00 0.00 C ATOM 162 O LEU A 14 -5.150 8.175 -7.491 1.00 0.00 O ATOM 163 CB LEU A 14 -3.359 9.966 -5.725 1.00 0.00 C ATOM 164 CG LEU A 14 -2.414 11.036 -5.176 1.00 0.00 C ATOM 165 CD1 LEU A 14 -3.162 12.338 -4.936 1.00 0.00 C ATOM 166 CD2 LEU A 14 -1.751 10.555 -3.893 1.00 0.00 C ATOM 0 H LEU A 14 -5.665 10.691 -7.187 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.779 10.386 -7.751 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.299 10.024 -5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.927 8.987 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.636 11.220 -5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.473 13.087 -4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.588 12.691 -5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.962 12.170 -4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.082 11.329 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.516 10.342 -3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.180 9.649 -4.096 1.00 0.00 H new ATOM 178 N THR A 15 -3.134 8.047 -8.484 1.00 0.00 N ATOM 179 CA THR A 15 -3.374 6.724 -9.046 1.00 0.00 C ATOM 180 C THR A 15 -2.526 5.667 -8.346 1.00 0.00 C ATOM 181 O THR A 15 -1.343 5.881 -8.081 1.00 0.00 O ATOM 182 CB THR A 15 -3.070 6.691 -10.556 1.00 0.00 C ATOM 183 OG1 THR A 15 -3.635 7.842 -11.194 1.00 0.00 O ATOM 184 CG2 THR A 15 -3.626 5.427 -11.193 1.00 0.00 C ATOM 0 H THR A 15 -2.219 8.440 -8.705 1.00 0.00 H new ATOM 0 HA THR A 15 -4.430 6.502 -8.890 1.00 0.00 H new ATOM 0 HB THR A 15 -1.988 6.698 -10.687 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.388 7.567 -11.758 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.399 5.427 -12.259 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.172 4.554 -10.725 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.706 5.394 -11.052 1.00 0.00 H new ATOM 192 N VAL A 16 -3.139 4.525 -8.049 1.00 0.00 N ATOM 193 CA VAL A 16 -2.440 3.434 -7.381 1.00 0.00 C ATOM 194 C VAL A 16 -2.214 2.263 -8.331 1.00 0.00 C ATOM 195 O VAL A 16 -3.143 1.524 -8.653 1.00 0.00 O ATOM 196 CB VAL A 16 -3.220 2.938 -6.150 1.00 0.00 C ATOM 197 CG1 VAL A 16 -2.462 1.819 -5.452 1.00 0.00 C ATOM 198 CG2 VAL A 16 -3.489 4.089 -5.191 1.00 0.00 C ATOM 0 H VAL A 16 -4.118 4.332 -8.261 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.476 3.827 -7.057 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.178 2.541 -6.485 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.029 1.482 -4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.325 0.987 -6.142 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.488 2.186 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.041 3.721 -4.326 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.542 4.517 -4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.076 4.855 -5.697 1.00 0.00 H new ATOM 208 N MET A 17 -0.972 2.101 -8.777 1.00 0.00 N ATOM 209 CA MET A 17 -0.623 1.018 -9.689 1.00 0.00 C ATOM 210 C MET A 17 0.014 -0.144 -8.935 1.00 0.00 C ATOM 211 O MET A 17 0.112 -0.121 -7.708 1.00 0.00 O ATOM 212 CB MET A 17 0.331 1.523 -10.773 1.00 0.00 C ATOM 213 CG MET A 17 -0.299 2.537 -11.713 1.00 0.00 C ATOM 214 SD MET A 17 0.433 2.506 -13.361 1.00 0.00 S ATOM 215 CE MET A 17 1.902 3.498 -13.097 1.00 0.00 C ATOM 0 H MET A 17 -0.191 2.706 -8.522 1.00 0.00 H new ATOM 0 HA MET A 17 -1.540 0.663 -10.159 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.202 1.973 -10.297 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.689 0.674 -11.355 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.368 2.339 -11.791 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.190 3.536 -11.290 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.463 3.572 -14.028 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.613 4.496 -12.767 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.525 3.030 -12.335 1.00 0.00 H new ATOM 225 N SER A 18 0.446 -1.160 -9.676 1.00 0.00 N ATOM 226 CA SER A 18 1.070 -2.333 -9.076 1.00 0.00 C ATOM 227 C SER A 18 0.339 -2.746 -7.803 1.00 0.00 C ATOM 228 O SER A 18 0.961 -2.998 -6.770 1.00 0.00 O ATOM 229 CB SER A 18 2.541 -2.051 -8.765 1.00 0.00 C ATOM 230 OG SER A 18 3.350 -2.234 -9.914 1.00 0.00 O ATOM 0 H SER A 18 0.375 -1.194 -10.693 1.00 0.00 H new ATOM 0 HA SER A 18 1.008 -3.153 -9.791 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.649 -1.030 -8.399 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.881 -2.713 -7.968 1.00 0.00 H new ATOM 0 HG SER A 18 4.285 -2.046 -9.689 1.00 0.00 H new ATOM 236 N LEU A 19 -0.985 -2.814 -7.884 1.00 0.00 N ATOM 237 CA LEU A 19 -1.804 -3.196 -6.738 1.00 0.00 C ATOM 238 C LEU A 19 -2.307 -4.629 -6.883 1.00 0.00 C ATOM 239 O LEU A 19 -2.940 -4.976 -7.879 1.00 0.00 O ATOM 240 CB LEU A 19 -2.988 -2.239 -6.590 1.00 0.00 C ATOM 241 CG LEU A 19 -3.836 -2.411 -5.329 1.00 0.00 C ATOM 242 CD1 LEU A 19 -3.181 -1.715 -4.147 1.00 0.00 C ATOM 243 CD2 LEU A 19 -5.242 -1.874 -5.555 1.00 0.00 C ATOM 0 H LEU A 19 -1.515 -2.610 -8.731 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.184 -3.137 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.609 -1.217 -6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.636 -2.357 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.907 -3.475 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.798 -1.848 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.195 -2.146 -3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.079 -0.651 -4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.832 -2.005 -4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.191 -0.814 -5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.712 -2.418 -6.374 1.00 0.00 H new ATOM 255 N GLN A 20 -2.023 -5.454 -5.881 1.00 0.00 N ATOM 256 CA GLN A 20 -2.449 -6.849 -5.896 1.00 0.00 C ATOM 257 C GLN A 20 -3.766 -7.024 -5.147 1.00 0.00 C ATOM 258 O GLN A 20 -4.011 -6.360 -4.140 1.00 0.00 O ATOM 259 CB GLN A 20 -1.373 -7.740 -5.275 1.00 0.00 C ATOM 260 CG GLN A 20 -1.429 -9.183 -5.750 1.00 0.00 C ATOM 261 CD GLN A 20 -0.791 -9.374 -7.112 1.00 0.00 C ATOM 262 OE1 GLN A 20 -1.193 -8.745 -8.091 1.00 0.00 O ATOM 263 NE2 GLN A 20 0.209 -10.245 -7.181 1.00 0.00 N ATOM 0 H GLN A 20 -1.500 -5.181 -5.049 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.600 -7.145 -6.934 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.392 -7.327 -5.509 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.477 -7.719 -4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.924 -9.820 -5.024 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.469 -9.508 -5.791 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.509 -10.744 -6.344 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.677 -10.415 -8.071 1.00 0.00 H new ATOM 272 N GLU A 21 -4.610 -7.922 -5.646 1.00 0.00 N ATOM 273 CA GLU A 21 -5.903 -8.182 -5.024 1.00 0.00 C ATOM 274 C GLU A 21 -6.133 -9.681 -4.855 1.00 0.00 C ATOM 275 O GLU A 21 -6.633 -10.132 -3.824 1.00 0.00 O ATOM 276 CB GLU A 21 -7.030 -7.573 -5.861 1.00 0.00 C ATOM 277 CG GLU A 21 -6.743 -7.567 -7.354 1.00 0.00 C ATOM 278 CD GLU A 21 -7.754 -6.753 -8.138 1.00 0.00 C ATOM 279 OE1 GLU A 21 -8.958 -6.836 -7.818 1.00 0.00 O ATOM 280 OE2 GLU A 21 -7.341 -6.033 -9.071 1.00 0.00 O ATOM 0 H GLU A 21 -4.422 -8.481 -6.478 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.902 -7.718 -4.038 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.949 -8.130 -5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.206 -6.550 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.745 -7.164 -7.527 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.742 -8.592 -7.724 1.00 0.00 H new ATOM 287 N SER A 22 -5.766 -10.449 -5.876 1.00 0.00 N ATOM 288 CA SER A 22 -5.936 -11.897 -5.844 1.00 0.00 C ATOM 289 C SER A 22 -4.623 -12.605 -6.164 1.00 0.00 C ATOM 290 O SER A 22 -4.617 -13.707 -6.711 1.00 0.00 O ATOM 291 CB SER A 22 -7.017 -12.327 -6.838 1.00 0.00 C ATOM 292 OG SER A 22 -6.869 -11.651 -8.075 1.00 0.00 O ATOM 0 H SER A 22 -5.349 -10.092 -6.736 1.00 0.00 H new ATOM 0 HA SER A 22 -6.245 -12.180 -4.838 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.960 -13.404 -6.999 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.002 -12.119 -6.421 1.00 0.00 H new ATOM 0 HG SER A 22 -7.570 -11.944 -8.694 1.00 0.00 H new ATOM 298 N GLY A 23 -3.512 -11.963 -5.819 1.00 0.00 N ATOM 299 CA GLY A 23 -2.208 -12.545 -6.077 1.00 0.00 C ATOM 300 C GLY A 23 -1.268 -12.408 -4.896 1.00 0.00 C ATOM 301 O GLY A 23 -0.121 -12.855 -4.950 1.00 0.00 O ATOM 0 H GLY A 23 -3.491 -11.050 -5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.327 -13.600 -6.322 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.764 -12.063 -6.948 1.00 0.00 H new ATOM 305 N LEU A 24 -1.751 -11.787 -3.826 1.00 0.00 N ATOM 306 CA LEU A 24 -0.946 -11.590 -2.626 1.00 0.00 C ATOM 307 C LEU A 24 -0.505 -12.927 -2.040 1.00 0.00 C ATOM 308 O LEU A 24 -1.171 -13.947 -2.222 1.00 0.00 O ATOM 309 CB LEU A 24 -1.735 -10.798 -1.582 1.00 0.00 C ATOM 310 CG LEU A 24 -1.717 -9.277 -1.738 1.00 0.00 C ATOM 311 CD1 LEU A 24 -2.235 -8.605 -0.476 1.00 0.00 C ATOM 312 CD2 LEU A 24 -0.312 -8.791 -2.065 1.00 0.00 C ATOM 0 H LEU A 24 -2.697 -11.411 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.056 -11.025 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.772 -11.133 -1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.344 -11.047 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.375 -9.008 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.215 -7.523 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.258 -8.929 -0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.604 -8.881 0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.318 -7.706 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.367 -9.072 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.023 -9.246 -2.997 1.00 0.00 H new ATOM 324 N LYS A 25 0.620 -12.917 -1.334 1.00 0.00 N ATOM 325 CA LYS A 25 1.149 -14.127 -0.718 1.00 0.00 C ATOM 326 C LYS A 25 1.416 -13.910 0.768 1.00 0.00 C ATOM 327 O LYS A 25 2.050 -12.929 1.158 1.00 0.00 O ATOM 328 CB LYS A 25 2.438 -14.561 -1.420 1.00 0.00 C ATOM 329 CG LYS A 25 2.205 -15.477 -2.609 1.00 0.00 C ATOM 330 CD LYS A 25 3.375 -16.423 -2.822 1.00 0.00 C ATOM 331 CE LYS A 25 4.442 -15.799 -3.708 1.00 0.00 C ATOM 332 NZ LYS A 25 5.513 -16.773 -4.055 1.00 0.00 N ATOM 0 H LYS A 25 1.184 -12.082 -1.174 1.00 0.00 H new ATOM 0 HA LYS A 25 0.402 -14.914 -0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.975 -13.674 -1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.080 -15.070 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.294 -16.054 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.052 -14.878 -3.507 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.810 -16.688 -1.858 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.019 -17.348 -3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.982 -15.424 -4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.882 -14.942 -3.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.221 -16.310 -4.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.970 -17.112 -3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.097 -17.579 -4.564 1.00 0.00 H new ATOM 346 N VAL A 26 0.929 -14.831 1.594 1.00 0.00 N ATOM 347 CA VAL A 26 1.117 -14.741 3.037 1.00 0.00 C ATOM 348 C VAL A 26 2.595 -14.813 3.404 1.00 0.00 C ATOM 349 O VAL A 26 3.320 -15.687 2.932 1.00 0.00 O ATOM 350 CB VAL A 26 0.361 -15.863 3.772 1.00 0.00 C ATOM 351 CG1 VAL A 26 -1.136 -15.746 3.531 1.00 0.00 C ATOM 352 CG2 VAL A 26 0.875 -17.226 3.335 1.00 0.00 C ATOM 0 H VAL A 26 0.401 -15.648 1.288 1.00 0.00 H new ATOM 0 HA VAL A 26 0.715 -13.777 3.350 1.00 0.00 H new ATOM 0 HB VAL A 26 0.541 -15.758 4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.653 -16.548 4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.489 -14.783 3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.340 -15.824 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.330 -18.007 3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.727 -17.344 2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.937 -17.305 3.565 1.00 0.00 H new ATOM 362 N ASN A 27 3.035 -13.887 4.250 1.00 0.00 N ATOM 363 CA ASN A 27 4.428 -13.845 4.681 1.00 0.00 C ATOM 364 C ASN A 27 5.352 -13.541 3.506 1.00 0.00 C ATOM 365 O ASN A 27 6.394 -14.175 3.343 1.00 0.00 O ATOM 366 CB ASN A 27 4.824 -15.176 5.324 1.00 0.00 C ATOM 367 CG ASN A 27 3.887 -15.576 6.448 1.00 0.00 C ATOM 368 OD1 ASN A 27 3.655 -14.808 7.381 1.00 0.00 O ATOM 369 ND2 ASN A 27 3.344 -16.785 6.362 1.00 0.00 N ATOM 0 H ASN A 27 2.447 -13.156 4.651 1.00 0.00 H new ATOM 0 HA ASN A 27 4.531 -13.048 5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.829 -15.957 4.563 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.840 -15.101 5.711 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.706 -17.110 7.088 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.565 -17.388 5.570 1.00 0.00 H new ATOM 376 N GLN A 28 4.962 -12.566 2.691 1.00 0.00 N ATOM 377 CA GLN A 28 5.756 -12.178 1.531 1.00 0.00 C ATOM 378 C GLN A 28 5.782 -10.661 1.372 1.00 0.00 C ATOM 379 O GLN A 28 4.775 -9.976 1.550 1.00 0.00 O ATOM 380 CB GLN A 28 5.196 -12.825 0.263 1.00 0.00 C ATOM 381 CG GLN A 28 5.418 -11.997 -0.992 1.00 0.00 C ATOM 382 CD GLN A 28 5.526 -12.849 -2.242 1.00 0.00 C ATOM 383 OE1 GLN A 28 6.468 -13.627 -2.397 1.00 0.00 O ATOM 384 NE2 GLN A 28 4.560 -12.706 -3.141 1.00 0.00 N ATOM 0 H GLN A 28 4.102 -12.031 2.812 1.00 0.00 H new ATOM 0 HA GLN A 28 6.777 -12.527 1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.659 -13.803 0.129 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.127 -12.993 0.393 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.595 -11.292 -1.108 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.328 -11.409 -0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.798 -12.049 -2.971 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.579 -13.253 -4.002 1.00 0.00 H new ATOM 393 N PRO A 29 6.962 -10.122 1.030 1.00 0.00 N ATOM 394 CA PRO A 29 7.148 -8.680 0.840 1.00 0.00 C ATOM 395 C PRO A 29 6.439 -8.164 -0.408 1.00 0.00 C ATOM 396 O PRO A 29 6.811 -8.505 -1.530 1.00 0.00 O ATOM 397 CB PRO A 29 8.664 -8.535 0.692 1.00 0.00 C ATOM 398 CG PRO A 29 9.125 -9.859 0.189 1.00 0.00 C ATOM 399 CD PRO A 29 8.205 -10.878 0.802 1.00 0.00 C ATOM 0 HA PRO A 29 6.729 -8.102 1.664 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.919 -7.736 -0.005 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.133 -8.289 1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.082 -9.899 -0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.160 -10.046 0.475 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.043 -11.726 0.136 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.609 -11.276 1.732 1.00 0.00 H new ATOM 407 N ALA A 30 5.417 -7.340 -0.203 1.00 0.00 N ATOM 408 CA ALA A 30 4.658 -6.775 -1.312 1.00 0.00 C ATOM 409 C ALA A 30 4.615 -5.253 -1.229 1.00 0.00 C ATOM 410 O ALA A 30 4.436 -4.685 -0.151 1.00 0.00 O ATOM 411 CB ALA A 30 3.247 -7.344 -1.330 1.00 0.00 C ATOM 0 H ALA A 30 5.096 -7.049 0.720 1.00 0.00 H new ATOM 0 HA ALA A 30 5.160 -7.048 -2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.692 -6.913 -2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.293 -8.427 -1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.744 -7.100 -0.394 1.00 0.00 H new ATOM 417 N SER A 31 4.783 -4.597 -2.373 1.00 0.00 N ATOM 418 CA SER A 31 4.768 -3.140 -2.428 1.00 0.00 C ATOM 419 C SER A 31 4.088 -2.652 -3.704 1.00 0.00 C ATOM 420 O SER A 31 4.061 -3.354 -4.715 1.00 0.00 O ATOM 421 CB SER A 31 6.194 -2.592 -2.355 1.00 0.00 C ATOM 422 OG SER A 31 6.929 -2.924 -3.520 1.00 0.00 O ATOM 0 H SER A 31 4.931 -5.052 -3.274 1.00 0.00 H new ATOM 0 HA SER A 31 4.201 -2.774 -1.572 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.165 -1.509 -2.236 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.697 -2.996 -1.476 1.00 0.00 H new ATOM 0 HG SER A 31 7.836 -2.561 -3.449 1.00 0.00 H new ATOM 428 N PHE A 32 3.539 -1.443 -3.649 1.00 0.00 N ATOM 429 CA PHE A 32 2.858 -0.859 -4.798 1.00 0.00 C ATOM 430 C PHE A 32 3.421 0.521 -5.122 1.00 0.00 C ATOM 431 O PHE A 32 4.130 1.119 -4.313 1.00 0.00 O ATOM 432 CB PHE A 32 1.354 -0.759 -4.530 1.00 0.00 C ATOM 433 CG PHE A 32 1.020 -0.041 -3.254 1.00 0.00 C ATOM 434 CD1 PHE A 32 1.178 1.332 -3.154 1.00 0.00 C ATOM 435 CD2 PHE A 32 0.548 -0.739 -2.154 1.00 0.00 C ATOM 436 CE1 PHE A 32 0.871 1.996 -1.981 1.00 0.00 C ATOM 437 CE2 PHE A 32 0.239 -0.080 -0.979 1.00 0.00 C ATOM 438 CZ PHE A 32 0.402 1.289 -0.892 1.00 0.00 C ATOM 0 H PHE A 32 3.553 -0.849 -2.820 1.00 0.00 H new ATOM 0 HA PHE A 32 3.025 -1.510 -5.656 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.878 -0.243 -5.364 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.932 -1.763 -4.494 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.545 1.890 -4.003 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.420 -1.810 -2.215 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.998 3.067 -1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.130 -0.635 -0.129 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.163 1.805 0.026 1.00 0.00 H new ATOM 448 N ALA A 33 3.101 1.021 -6.311 1.00 0.00 N ATOM 449 CA ALA A 33 3.573 2.331 -6.741 1.00 0.00 C ATOM 450 C ALA A 33 2.437 3.347 -6.754 1.00 0.00 C ATOM 451 O ALA A 33 1.361 3.083 -7.293 1.00 0.00 O ATOM 452 CB ALA A 33 4.213 2.235 -8.118 1.00 0.00 C ATOM 0 H ALA A 33 2.517 0.538 -6.994 1.00 0.00 H new ATOM 0 HA ALA A 33 4.322 2.672 -6.027 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.561 3.221 -8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.058 1.547 -8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.479 1.868 -8.836 1.00 0.00 H new ATOM 458 N ILE A 34 2.681 4.509 -6.157 1.00 0.00 N ATOM 459 CA ILE A 34 1.678 5.565 -6.101 1.00 0.00 C ATOM 460 C ILE A 34 1.981 6.666 -7.112 1.00 0.00 C ATOM 461 O ILE A 34 2.885 7.477 -6.910 1.00 0.00 O ATOM 462 CB ILE A 34 1.591 6.185 -4.694 1.00 0.00 C ATOM 463 CG1 ILE A 34 1.292 5.104 -3.654 1.00 0.00 C ATOM 464 CG2 ILE A 34 0.527 7.271 -4.659 1.00 0.00 C ATOM 465 CD1 ILE A 34 1.368 5.600 -2.227 1.00 0.00 C ATOM 0 H ILE A 34 3.565 4.743 -5.705 1.00 0.00 H new ATOM 0 HA ILE A 34 0.721 5.104 -6.346 1.00 0.00 H new ATOM 0 HB ILE A 34 2.552 6.638 -4.452 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.296 4.701 -3.837 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.997 4.283 -3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.477 7.700 -3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.780 8.052 -5.376 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.441 6.841 -4.918 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.145 4.780 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.371 5.977 -2.026 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.643 6.401 -2.081 1.00 0.00 H new ATOM 477 N ARG A 35 1.218 6.689 -8.200 1.00 0.00 N ATOM 478 CA ARG A 35 1.404 7.691 -9.243 1.00 0.00 C ATOM 479 C ARG A 35 0.773 9.020 -8.838 1.00 0.00 C ATOM 480 O ARG A 35 -0.350 9.059 -8.335 1.00 0.00 O ATOM 481 CB ARG A 35 0.796 7.206 -10.560 1.00 0.00 C ATOM 482 CG ARG A 35 0.289 8.331 -11.448 1.00 0.00 C ATOM 483 CD ARG A 35 0.338 7.945 -12.918 1.00 0.00 C ATOM 484 NE ARG A 35 -0.881 7.265 -13.346 1.00 0.00 N ATOM 485 CZ ARG A 35 -2.008 7.898 -13.649 1.00 0.00 C ATOM 486 NH1 ARG A 35 -2.071 9.220 -13.572 1.00 0.00 N ATOM 487 NH2 ARG A 35 -3.076 7.209 -14.031 1.00 0.00 N ATOM 0 H ARG A 35 0.465 6.025 -8.382 1.00 0.00 H new ATOM 0 HA ARG A 35 2.475 7.843 -9.379 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.545 6.633 -11.107 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.028 6.527 -10.342 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.735 8.582 -11.170 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.892 9.225 -11.285 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.486 8.840 -13.523 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.196 7.296 -13.094 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.866 6.248 -13.416 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.252 9.753 -13.279 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.938 9.704 -13.805 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.032 6.192 -14.092 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.941 7.697 -14.263 1.00 0.00 H new ATOM 501 N LEU A 36 1.504 10.107 -9.060 1.00 0.00 N ATOM 502 CA LEU A 36 1.017 11.439 -8.719 1.00 0.00 C ATOM 503 C LEU A 36 0.751 12.261 -9.976 1.00 0.00 C ATOM 504 O LEU A 36 1.653 12.492 -10.780 1.00 0.00 O ATOM 505 CB LEU A 36 2.029 12.161 -7.828 1.00 0.00 C ATOM 506 CG LEU A 36 2.371 11.474 -6.506 1.00 0.00 C ATOM 507 CD1 LEU A 36 3.636 12.068 -5.907 1.00 0.00 C ATOM 508 CD2 LEU A 36 1.210 11.591 -5.529 1.00 0.00 C ATOM 0 H LEU A 36 2.436 10.092 -9.475 1.00 0.00 H new ATOM 0 HA LEU A 36 0.079 11.327 -8.176 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.951 12.294 -8.394 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.644 13.156 -7.608 1.00 0.00 H new ATOM 0 HG LEU A 36 2.549 10.417 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.864 11.566 -4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.466 11.932 -6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.487 13.132 -5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.471 11.096 -4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.001 12.643 -5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.326 11.117 -5.956 1.00 0.00 H new ATOM 520 N ASN A 37 -0.493 12.701 -10.137 1.00 0.00 N ATOM 521 CA ASN A 37 -0.877 13.498 -11.296 1.00 0.00 C ATOM 522 C ASN A 37 -0.561 14.974 -11.070 1.00 0.00 C ATOM 523 O ASN A 37 -1.182 15.851 -11.667 1.00 0.00 O ATOM 524 CB ASN A 37 -2.369 13.324 -11.589 1.00 0.00 C ATOM 525 CG ASN A 37 -2.672 12.012 -12.287 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.460 11.873 -13.492 1.00 0.00 O ATOM 527 ND2 ASN A 37 -3.170 11.041 -11.530 1.00 0.00 N ATOM 0 H ASN A 37 -1.252 12.519 -9.480 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.302 13.148 -12.153 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.928 13.373 -10.655 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.713 14.151 -12.210 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.393 10.136 -11.943 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.329 11.201 -10.535 1.00 0.00 H new ATOM 534 N GLY A 38 0.412 15.239 -10.203 1.00 0.00 N ATOM 535 CA GLY A 38 0.794 16.608 -9.913 1.00 0.00 C ATOM 536 C GLY A 38 0.202 17.113 -8.612 1.00 0.00 C ATOM 537 O GLY A 38 -0.130 18.291 -8.490 1.00 0.00 O ATOM 0 H GLY A 38 0.942 14.530 -9.697 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.881 16.676 -9.864 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.471 17.253 -10.730 1.00 0.00 H new ATOM 541 N ALA A 39 0.069 16.218 -7.638 1.00 0.00 N ATOM 542 CA ALA A 39 -0.487 16.580 -6.340 1.00 0.00 C ATOM 543 C ALA A 39 0.593 16.586 -5.264 1.00 0.00 C ATOM 544 O ALA A 39 1.736 16.202 -5.513 1.00 0.00 O ATOM 545 CB ALA A 39 -1.607 15.623 -5.961 1.00 0.00 C ATOM 0 H ALA A 39 0.339 15.238 -7.723 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.895 17.588 -6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.013 15.905 -4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.396 15.670 -6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.216 14.607 -5.910 1.00 0.00 H new ATOM 551 N LYS A 40 0.225 17.027 -4.065 1.00 0.00 N ATOM 552 CA LYS A 40 1.161 17.083 -2.949 1.00 0.00 C ATOM 553 C LYS A 40 0.421 17.257 -1.627 1.00 0.00 C ATOM 554 O LYS A 40 -0.741 17.659 -1.603 1.00 0.00 O ATOM 555 CB LYS A 40 2.152 18.232 -3.146 1.00 0.00 C ATOM 556 CG LYS A 40 1.528 19.608 -2.991 1.00 0.00 C ATOM 557 CD LYS A 40 2.508 20.710 -3.356 1.00 0.00 C ATOM 558 CE LYS A 40 1.807 22.051 -3.510 1.00 0.00 C ATOM 559 NZ LYS A 40 1.551 22.698 -2.193 1.00 0.00 N ATOM 0 H LYS A 40 -0.716 17.351 -3.842 1.00 0.00 H new ATOM 0 HA LYS A 40 1.708 16.141 -2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.964 18.128 -2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.594 18.153 -4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.644 19.681 -3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.194 19.743 -1.962 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.275 20.786 -2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.015 20.454 -4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.417 22.711 -4.126 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.862 21.909 -4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.072 23.609 -2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.948 22.080 -1.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.454 22.857 -1.703 1.00 0.00 H new ATOM 573 N GLY A 41 1.104 16.953 -0.527 1.00 0.00 N ATOM 574 CA GLY A 41 0.496 17.084 0.784 1.00 0.00 C ATOM 575 C GLY A 41 1.076 16.112 1.792 1.00 0.00 C ATOM 576 O GLY A 41 2.277 16.132 2.065 1.00 0.00 O ATOM 0 H GLY A 41 2.068 16.618 -0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.635 18.103 1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.578 16.919 0.701 1.00 0.00 H new ATOM 580 N LYS A 42 0.223 15.260 2.349 1.00 0.00 N ATOM 581 CA LYS A 42 0.656 14.275 3.333 1.00 0.00 C ATOM 582 C LYS A 42 0.239 12.869 2.917 1.00 0.00 C ATOM 583 O LYS A 42 -0.951 12.566 2.826 1.00 0.00 O ATOM 584 CB LYS A 42 0.071 14.607 4.708 1.00 0.00 C ATOM 585 CG LYS A 42 0.956 15.516 5.543 1.00 0.00 C ATOM 586 CD LYS A 42 1.960 14.721 6.359 1.00 0.00 C ATOM 587 CE LYS A 42 1.310 14.086 7.578 1.00 0.00 C ATOM 588 NZ LYS A 42 0.907 15.105 8.586 1.00 0.00 N ATOM 0 H LYS A 42 -0.774 15.232 2.136 1.00 0.00 H new ATOM 0 HA LYS A 42 1.744 14.309 3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.901 15.083 4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.100 13.679 5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.485 16.210 4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.337 16.115 6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.403 13.944 5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.771 15.376 6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.434 13.517 7.267 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.004 13.380 8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.773 14.646 9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.650 15.829 8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.017 15.553 8.290 1.00 0.00 H new ATOM 602 N ILE A 43 1.224 12.014 2.666 1.00 0.00 N ATOM 603 CA ILE A 43 0.958 10.639 2.262 1.00 0.00 C ATOM 604 C ILE A 43 1.052 9.689 3.450 1.00 0.00 C ATOM 605 O ILE A 43 2.096 9.585 4.094 1.00 0.00 O ATOM 606 CB ILE A 43 1.937 10.174 1.168 1.00 0.00 C ATOM 607 CG1 ILE A 43 1.795 11.047 -0.080 1.00 0.00 C ATOM 608 CG2 ILE A 43 1.696 8.711 0.828 1.00 0.00 C ATOM 609 CD1 ILE A 43 2.915 10.861 -1.080 1.00 0.00 C ATOM 0 H ILE A 43 2.214 12.249 2.735 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.056 10.618 1.863 1.00 0.00 H new ATOM 0 HB ILE A 43 2.954 10.276 1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.845 10.821 -0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.758 12.094 0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.396 8.397 0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.844 8.101 1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.675 8.585 0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.748 11.511 -1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.866 11.115 -0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.939 9.823 -1.411 1.00 0.00 H new ATOM 621 N ASP A 44 -0.045 8.995 3.735 1.00 0.00 N ATOM 622 CA ASP A 44 -0.086 8.050 4.844 1.00 0.00 C ATOM 623 C ASP A 44 -0.698 6.723 4.406 1.00 0.00 C ATOM 624 O ASP A 44 -1.886 6.650 4.094 1.00 0.00 O ATOM 625 CB ASP A 44 -0.885 8.634 6.010 1.00 0.00 C ATOM 626 CG ASP A 44 -0.177 9.802 6.669 1.00 0.00 C ATOM 627 OD1 ASP A 44 0.622 9.564 7.599 1.00 0.00 O ATOM 628 OD2 ASP A 44 -0.423 10.954 6.255 1.00 0.00 O ATOM 0 H ASP A 44 -0.918 9.070 3.213 1.00 0.00 H new ATOM 0 HA ASP A 44 0.938 7.867 5.170 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.861 8.960 5.651 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.062 7.855 6.752 1.00 0.00 H new ATOM 633 N ALA A 45 0.122 5.678 4.384 1.00 0.00 N ATOM 634 CA ALA A 45 -0.339 4.354 3.985 1.00 0.00 C ATOM 635 C ALA A 45 -0.154 3.345 5.113 1.00 0.00 C ATOM 636 O ALA A 45 0.971 3.013 5.485 1.00 0.00 O ATOM 637 CB ALA A 45 0.397 3.893 2.736 1.00 0.00 C ATOM 0 H ALA A 45 1.109 5.722 4.638 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.404 4.419 3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.043 2.903 2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.209 4.595 1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.467 3.851 2.939 1.00 0.00 H new ATOM 643 N LYS A 46 -1.267 2.860 5.655 1.00 0.00 N ATOM 644 CA LYS A 46 -1.228 1.888 6.741 1.00 0.00 C ATOM 645 C LYS A 46 -2.146 0.706 6.446 1.00 0.00 C ATOM 646 O LYS A 46 -3.221 0.871 5.869 1.00 0.00 O ATOM 647 CB LYS A 46 -1.638 2.549 8.059 1.00 0.00 C ATOM 648 CG LYS A 46 -0.833 3.793 8.391 1.00 0.00 C ATOM 649 CD LYS A 46 -1.398 4.515 9.603 1.00 0.00 C ATOM 650 CE LYS A 46 -0.819 3.967 10.898 1.00 0.00 C ATOM 651 NZ LYS A 46 -1.059 4.886 12.046 1.00 0.00 N ATOM 0 H LYS A 46 -2.207 3.125 5.360 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.206 1.519 6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.695 2.812 8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.526 1.827 8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.204 3.516 8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.831 4.466 7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.180 5.580 9.528 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.483 4.412 9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.264 2.995 11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.253 3.808 10.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.649 4.477 12.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.613 5.806 11.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.082 5.018 12.177 1.00 0.00 H new ATOM 665 N VAL A 47 -1.716 -0.486 6.847 1.00 0.00 N ATOM 666 CA VAL A 47 -2.501 -1.695 6.628 1.00 0.00 C ATOM 667 C VAL A 47 -3.330 -2.043 7.859 1.00 0.00 C ATOM 668 O VAL A 47 -2.813 -2.088 8.976 1.00 0.00 O ATOM 669 CB VAL A 47 -1.599 -2.893 6.274 1.00 0.00 C ATOM 670 CG1 VAL A 47 -0.579 -3.138 7.375 1.00 0.00 C ATOM 671 CG2 VAL A 47 -2.439 -4.137 6.028 1.00 0.00 C ATOM 0 H VAL A 47 -0.828 -0.640 7.325 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.168 -1.492 5.790 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.058 -2.660 5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.049 -3.988 7.107 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.043 -2.252 7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.097 -3.350 8.310 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.786 -4.974 5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.008 -4.375 6.927 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.126 -3.955 5.202 1.00 0.00 H new ATOM 681 N HIS A 48 -4.619 -2.290 7.648 1.00 0.00 N ATOM 682 CA HIS A 48 -5.520 -2.636 8.741 1.00 0.00 C ATOM 683 C HIS A 48 -5.895 -4.114 8.689 1.00 0.00 C ATOM 684 O HIS A 48 -5.730 -4.771 7.661 1.00 0.00 O ATOM 685 CB HIS A 48 -6.783 -1.775 8.680 1.00 0.00 C ATOM 686 CG HIS A 48 -6.545 -0.338 9.027 1.00 0.00 C ATOM 687 ND1 HIS A 48 -6.707 0.166 10.300 1.00 0.00 N ATOM 688 CD2 HIS A 48 -6.154 0.705 8.258 1.00 0.00 C ATOM 689 CE1 HIS A 48 -6.427 1.457 10.299 1.00 0.00 C ATOM 690 NE2 HIS A 48 -6.088 1.809 9.072 1.00 0.00 N ATOM 0 H HIS A 48 -5.063 -2.257 6.730 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.002 -2.444 9.681 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.204 -1.833 7.676 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.527 -2.187 9.362 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.935 0.675 7.201 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.468 2.113 11.156 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -5.821 2.748 8.777 1.00 0.00 H new ATOM 698 N SER A 49 -6.398 -4.631 9.806 1.00 0.00 N ATOM 699 CA SER A 49 -6.791 -6.033 9.889 1.00 0.00 C ATOM 700 C SER A 49 -8.221 -6.166 10.404 1.00 0.00 C ATOM 701 O SER A 49 -8.731 -5.308 11.125 1.00 0.00 O ATOM 702 CB SER A 49 -5.835 -6.799 10.804 1.00 0.00 C ATOM 703 OG SER A 49 -4.541 -6.884 10.232 1.00 0.00 O ATOM 0 H SER A 49 -6.543 -4.100 10.665 1.00 0.00 H new ATOM 0 HA SER A 49 -6.742 -6.459 8.887 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.776 -6.302 11.772 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.223 -7.801 10.984 1.00 0.00 H new ATOM 0 HG SER A 49 -3.948 -7.377 10.837 1.00 0.00 H new ATOM 709 N PRO A 50 -8.885 -7.268 10.025 1.00 0.00 N ATOM 710 CA PRO A 50 -10.265 -7.542 10.437 1.00 0.00 C ATOM 711 C PRO A 50 -10.374 -7.868 11.922 1.00 0.00 C ATOM 712 O PRO A 50 -11.461 -8.145 12.429 1.00 0.00 O ATOM 713 CB PRO A 50 -10.653 -8.758 9.593 1.00 0.00 C ATOM 714 CG PRO A 50 -9.361 -9.431 9.282 1.00 0.00 C ATOM 715 CD PRO A 50 -8.340 -8.333 9.167 1.00 0.00 C ATOM 0 HA PRO A 50 -10.913 -6.678 10.288 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.323 -9.421 10.139 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.173 -8.459 8.683 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.089 -10.136 10.068 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.430 -9.999 8.354 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.358 -8.660 9.508 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.224 -7.998 8.136 1.00 0.00 H new ATOM 723 N SER A 51 -9.240 -7.832 12.615 1.00 0.00 N ATOM 724 CA SER A 51 -9.207 -8.128 14.043 1.00 0.00 C ATOM 725 C SER A 51 -9.259 -6.843 14.865 1.00 0.00 C ATOM 726 O SER A 51 -9.706 -6.844 16.011 1.00 0.00 O ATOM 727 CB SER A 51 -7.946 -8.920 14.393 1.00 0.00 C ATOM 728 OG SER A 51 -6.798 -8.090 14.361 1.00 0.00 O ATOM 0 H SER A 51 -8.332 -7.601 12.211 1.00 0.00 H new ATOM 0 HA SER A 51 -10.083 -8.730 14.285 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.053 -9.361 15.384 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.823 -9.744 13.690 1.00 0.00 H new ATOM 0 HG SER A 51 -6.005 -8.619 14.590 1.00 0.00 H new ATOM 734 N GLY A 52 -8.798 -5.748 14.269 1.00 0.00 N ATOM 735 CA GLY A 52 -8.801 -4.471 14.959 1.00 0.00 C ATOM 736 C GLY A 52 -7.401 -3.967 15.250 1.00 0.00 C ATOM 737 O GLY A 52 -7.195 -3.187 16.179 1.00 0.00 O ATOM 0 H GLY A 52 -8.423 -5.722 13.321 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.330 -3.735 14.353 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.351 -4.568 15.895 1.00 0.00 H new ATOM 741 N ALA A 53 -6.435 -4.414 14.453 1.00 0.00 N ATOM 742 CA ALA A 53 -5.048 -4.003 14.630 1.00 0.00 C ATOM 743 C ALA A 53 -4.631 -3.003 13.556 1.00 0.00 C ATOM 744 O ALA A 53 -5.165 -3.010 12.447 1.00 0.00 O ATOM 745 CB ALA A 53 -4.131 -5.217 14.608 1.00 0.00 C ATOM 0 H ALA A 53 -6.588 -5.060 13.679 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.961 -3.513 15.600 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.098 -4.895 14.741 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.407 -5.896 15.415 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.230 -5.731 13.652 1.00 0.00 H new ATOM 751 N VAL A 54 -3.675 -2.144 13.894 1.00 0.00 N ATOM 752 CA VAL A 54 -3.186 -1.138 12.958 1.00 0.00 C ATOM 753 C VAL A 54 -1.700 -1.329 12.673 1.00 0.00 C ATOM 754 O VAL A 54 -0.864 -1.183 13.563 1.00 0.00 O ATOM 755 CB VAL A 54 -3.415 0.287 13.496 1.00 0.00 C ATOM 756 CG1 VAL A 54 -2.863 1.319 12.525 1.00 0.00 C ATOM 757 CG2 VAL A 54 -4.895 0.526 13.756 1.00 0.00 C ATOM 0 H VAL A 54 -3.224 -2.124 14.809 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.750 -1.265 12.034 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.882 0.390 14.441 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.034 2.320 12.922 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.793 1.159 12.393 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.366 1.219 11.563 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.039 1.538 14.136 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.452 0.404 12.827 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.256 -0.193 14.492 1.00 0.00 H new ATOM 767 N GLU A 55 -1.380 -1.655 11.424 1.00 0.00 N ATOM 768 CA GLU A 55 0.005 -1.866 11.022 1.00 0.00 C ATOM 769 C GLU A 55 0.464 -0.775 10.059 1.00 0.00 C ATOM 770 O GLU A 55 -0.297 -0.331 9.200 1.00 0.00 O ATOM 771 CB GLU A 55 0.166 -3.240 10.368 1.00 0.00 C ATOM 772 CG GLU A 55 0.471 -4.353 11.357 1.00 0.00 C ATOM 773 CD GLU A 55 0.763 -5.675 10.675 1.00 0.00 C ATOM 774 OE1 GLU A 55 1.620 -5.697 9.767 1.00 0.00 O ATOM 775 OE2 GLU A 55 0.135 -6.688 11.049 1.00 0.00 O ATOM 0 H GLU A 55 -2.061 -1.778 10.674 1.00 0.00 H new ATOM 0 HA GLU A 55 0.627 -1.822 11.916 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.749 -3.486 9.828 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.968 -3.191 9.631 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.327 -4.067 11.968 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.376 -4.476 12.032 1.00 0.00 H new ATOM 782 N GLU A 56 1.714 -0.348 10.210 1.00 0.00 N ATOM 783 CA GLU A 56 2.274 0.692 9.354 1.00 0.00 C ATOM 784 C GLU A 56 3.045 0.080 8.188 1.00 0.00 C ATOM 785 O GLU A 56 3.661 -0.978 8.324 1.00 0.00 O ATOM 786 CB GLU A 56 3.193 1.609 10.163 1.00 0.00 C ATOM 787 CG GLU A 56 3.777 2.754 9.353 1.00 0.00 C ATOM 788 CD GLU A 56 5.018 3.348 9.992 1.00 0.00 C ATOM 789 OE1 GLU A 56 6.059 2.658 10.018 1.00 0.00 O ATOM 790 OE2 GLU A 56 4.948 4.501 10.466 1.00 0.00 O ATOM 0 H GLU A 56 2.357 -0.706 10.916 1.00 0.00 H new ATOM 0 HA GLU A 56 1.449 1.280 8.952 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.634 2.018 11.005 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.008 1.017 10.579 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.023 2.398 8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.024 3.533 9.238 1.00 0.00 H new ATOM 797 N CYS A 57 3.007 0.753 7.043 1.00 0.00 N ATOM 798 CA CYS A 57 3.701 0.276 5.853 1.00 0.00 C ATOM 799 C CYS A 57 4.912 1.150 5.542 1.00 0.00 C ATOM 800 O CYS A 57 4.842 2.377 5.622 1.00 0.00 O ATOM 801 CB CYS A 57 2.749 0.258 4.655 1.00 0.00 C ATOM 802 SG CYS A 57 1.306 -0.810 4.876 1.00 0.00 S ATOM 0 H CYS A 57 2.503 1.630 6.914 1.00 0.00 H new ATOM 0 HA CYS A 57 4.049 -0.739 6.048 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.409 1.275 4.459 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.299 -0.070 3.772 1.00 0.00 H new ATOM 0 HG CYS A 57 0.560 -0.757 3.812 1.00 0.00 H new ATOM 808 N HIS A 58 6.022 0.510 5.189 1.00 0.00 N ATOM 809 CA HIS A 58 7.249 1.229 4.867 1.00 0.00 C ATOM 810 C HIS A 58 7.034 2.169 3.684 1.00 0.00 C ATOM 811 O HIS A 58 6.780 1.725 2.564 1.00 0.00 O ATOM 812 CB HIS A 58 8.375 0.244 4.553 1.00 0.00 C ATOM 813 CG HIS A 58 9.542 0.871 3.853 1.00 0.00 C ATOM 814 ND1 HIS A 58 9.612 1.009 2.483 1.00 0.00 N ATOM 815 CD2 HIS A 58 10.688 1.400 4.342 1.00 0.00 C ATOM 816 CE1 HIS A 58 10.751 1.594 2.159 1.00 0.00 C ATOM 817 NE2 HIS A 58 11.422 1.842 3.269 1.00 0.00 N ATOM 0 H HIS A 58 6.097 -0.505 5.119 1.00 0.00 H new ATOM 0 HA HIS A 58 7.530 1.825 5.735 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.720 -0.209 5.482 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.980 -0.561 3.933 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.972 1.463 5.382 1.00 0.00 H new ATOM 0 HE1 HIS A 58 11.078 1.829 1.157 1.00 0.00 H new ATOM 0 HE2 HIS A 58 12.337 2.289 3.321 1.00 0.00 H new ATOM 825 N VAL A 59 7.138 3.469 3.941 1.00 0.00 N ATOM 826 CA VAL A 59 6.955 4.471 2.898 1.00 0.00 C ATOM 827 C VAL A 59 8.234 5.272 2.675 1.00 0.00 C ATOM 828 O VAL A 59 8.721 5.947 3.581 1.00 0.00 O ATOM 829 CB VAL A 59 5.810 5.440 3.245 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.676 6.514 2.176 1.00 0.00 C ATOM 831 CG2 VAL A 59 4.503 4.681 3.415 1.00 0.00 C ATOM 0 H VAL A 59 7.348 3.853 4.862 1.00 0.00 H new ATOM 0 HA VAL A 59 6.702 3.934 1.984 1.00 0.00 H new ATOM 0 HB VAL A 59 6.046 5.929 4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.862 7.189 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.607 7.077 2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.463 6.046 1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.705 5.382 3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.260 4.163 2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.607 3.953 4.220 1.00 0.00 H new ATOM 841 N SER A 60 8.771 5.191 1.462 1.00 0.00 N ATOM 842 CA SER A 60 9.996 5.906 1.120 1.00 0.00 C ATOM 843 C SER A 60 9.779 6.803 -0.095 1.00 0.00 C ATOM 844 O SER A 60 9.053 6.446 -1.022 1.00 0.00 O ATOM 845 CB SER A 60 11.128 4.916 0.842 1.00 0.00 C ATOM 846 OG SER A 60 11.801 4.562 2.037 1.00 0.00 O ATOM 0 H SER A 60 8.378 4.638 0.700 1.00 0.00 H new ATOM 0 HA SER A 60 10.272 6.533 1.968 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.724 4.021 0.369 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.836 5.356 0.139 1.00 0.00 H new ATOM 0 HG SER A 60 12.519 3.927 1.832 1.00 0.00 H new ATOM 852 N GLU A 61 10.416 7.971 -0.082 1.00 0.00 N ATOM 853 CA GLU A 61 10.293 8.920 -1.182 1.00 0.00 C ATOM 854 C GLU A 61 11.468 8.790 -2.146 1.00 0.00 C ATOM 855 O GLU A 61 12.525 9.388 -1.938 1.00 0.00 O ATOM 856 CB GLU A 61 10.215 10.350 -0.644 1.00 0.00 C ATOM 857 CG GLU A 61 9.757 11.365 -1.678 1.00 0.00 C ATOM 858 CD GLU A 61 9.339 12.683 -1.056 1.00 0.00 C ATOM 859 OE1 GLU A 61 8.763 12.660 0.052 1.00 0.00 O ATOM 860 OE2 GLU A 61 9.588 13.738 -1.676 1.00 0.00 O ATOM 0 H GLU A 61 11.022 8.282 0.678 1.00 0.00 H new ATOM 0 HA GLU A 61 9.375 8.693 -1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.530 10.373 0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.196 10.642 -0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.564 11.543 -2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.920 10.952 -2.242 1.00 0.00 H new ATOM 867 N LEU A 62 11.276 8.006 -3.201 1.00 0.00 N ATOM 868 CA LEU A 62 12.320 7.797 -4.199 1.00 0.00 C ATOM 869 C LEU A 62 12.301 8.904 -5.247 1.00 0.00 C ATOM 870 O LEU A 62 13.349 9.340 -5.722 1.00 0.00 O ATOM 871 CB LEU A 62 12.141 6.436 -4.874 1.00 0.00 C ATOM 872 CG LEU A 62 11.504 5.340 -4.019 1.00 0.00 C ATOM 873 CD1 LEU A 62 11.365 4.053 -4.817 1.00 0.00 C ATOM 874 CD2 LEU A 62 12.324 5.103 -2.759 1.00 0.00 C ATOM 0 H LEU A 62 10.408 7.505 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 62 13.284 7.820 -3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.531 6.573 -5.767 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.118 6.087 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 62 10.508 5.669 -3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.910 3.285 -4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.736 4.232 -5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.350 3.719 -5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 62 11.856 4.320 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.333 4.796 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.371 6.023 -2.177 1.00 0.00 H new ATOM 886 N GLU A 63 11.102 9.357 -5.601 1.00 0.00 N ATOM 887 CA GLU A 63 10.948 10.415 -6.593 1.00 0.00 C ATOM 888 C GLU A 63 9.900 11.430 -6.146 1.00 0.00 C ATOM 889 O GLU A 63 8.998 11.126 -5.364 1.00 0.00 O ATOM 890 CB GLU A 63 10.555 9.822 -7.947 1.00 0.00 C ATOM 891 CG GLU A 63 11.084 8.416 -8.173 1.00 0.00 C ATOM 892 CD GLU A 63 10.873 7.934 -9.595 1.00 0.00 C ATOM 893 OE1 GLU A 63 10.564 8.774 -10.466 1.00 0.00 O ATOM 894 OE2 GLU A 63 11.015 6.717 -9.837 1.00 0.00 O ATOM 0 H GLU A 63 10.224 9.008 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 63 11.905 10.927 -6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.468 9.809 -8.027 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.925 10.472 -8.740 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.148 8.390 -7.939 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.590 7.731 -7.484 1.00 0.00 H new ATOM 901 N PRO A 64 10.020 12.666 -6.653 1.00 0.00 N ATOM 902 CA PRO A 64 9.092 13.752 -6.321 1.00 0.00 C ATOM 903 C PRO A 64 7.707 13.534 -6.921 1.00 0.00 C ATOM 904 O PRO A 64 6.732 14.152 -6.493 1.00 0.00 O ATOM 905 CB PRO A 64 9.755 14.986 -6.939 1.00 0.00 C ATOM 906 CG PRO A 64 10.594 14.450 -8.047 1.00 0.00 C ATOM 907 CD PRO A 64 11.070 13.099 -7.590 1.00 0.00 C ATOM 0 HA PRO A 64 8.927 13.833 -5.247 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.011 15.691 -7.311 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.361 15.519 -6.206 1.00 0.00 H new ATOM 0 HG2 PRO A 64 10.018 14.369 -8.969 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.436 15.111 -8.254 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.174 12.406 -8.425 1.00 0.00 H new ATOM 0 HD3 PRO A 64 12.043 13.160 -7.103 1.00 0.00 H new ATOM 915 N ASP A 65 7.628 12.653 -7.912 1.00 0.00 N ATOM 916 CA ASP A 65 6.361 12.353 -8.569 1.00 0.00 C ATOM 917 C ASP A 65 6.010 10.876 -8.423 1.00 0.00 C ATOM 918 O ASP A 65 4.933 10.440 -8.830 1.00 0.00 O ATOM 919 CB ASP A 65 6.429 12.730 -10.050 1.00 0.00 C ATOM 920 CG ASP A 65 6.428 14.231 -10.266 1.00 0.00 C ATOM 921 OD1 ASP A 65 5.538 14.910 -9.712 1.00 0.00 O ATOM 922 OD2 ASP A 65 7.317 14.726 -10.989 1.00 0.00 O ATOM 0 H ASP A 65 8.426 12.134 -8.278 1.00 0.00 H new ATOM 0 HA ASP A 65 5.581 12.943 -8.087 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.331 12.303 -10.490 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.580 12.290 -10.573 1.00 0.00 H new ATOM 927 N LYS A 66 6.925 10.110 -7.839 1.00 0.00 N ATOM 928 CA LYS A 66 6.713 8.682 -7.637 1.00 0.00 C ATOM 929 C LYS A 66 6.930 8.300 -6.177 1.00 0.00 C ATOM 930 O LYS A 66 7.755 8.898 -5.485 1.00 0.00 O ATOM 931 CB LYS A 66 7.656 7.874 -8.533 1.00 0.00 C ATOM 932 CG LYS A 66 7.163 6.467 -8.821 1.00 0.00 C ATOM 933 CD LYS A 66 7.677 5.474 -7.792 1.00 0.00 C ATOM 934 CE LYS A 66 7.594 4.045 -8.306 1.00 0.00 C ATOM 935 NZ LYS A 66 8.644 3.759 -9.322 1.00 0.00 N ATOM 0 H LYS A 66 7.822 10.455 -7.497 1.00 0.00 H new ATOM 0 HA LYS A 66 5.682 8.452 -7.904 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.790 8.403 -9.476 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.635 7.817 -8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.073 6.456 -8.825 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.489 6.163 -9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.711 5.712 -7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.096 5.566 -6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.698 3.352 -7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.610 3.873 -8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.687 2.735 -9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.413 4.253 -10.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.566 4.089 -8.971 1.00 0.00 H new ATOM 949 N TYR A 67 6.187 7.301 -5.715 1.00 0.00 N ATOM 950 CA TYR A 67 6.298 6.840 -4.336 1.00 0.00 C ATOM 951 C TYR A 67 6.185 5.320 -4.259 1.00 0.00 C ATOM 952 O TYR A 67 5.613 4.683 -5.143 1.00 0.00 O ATOM 953 CB TYR A 67 5.216 7.487 -3.471 1.00 0.00 C ATOM 954 CG TYR A 67 5.543 8.902 -3.049 1.00 0.00 C ATOM 955 CD1 TYR A 67 5.475 9.952 -3.958 1.00 0.00 C ATOM 956 CD2 TYR A 67 5.922 9.189 -1.744 1.00 0.00 C ATOM 957 CE1 TYR A 67 5.774 11.246 -3.578 1.00 0.00 C ATOM 958 CE2 TYR A 67 6.221 10.480 -1.355 1.00 0.00 C ATOM 959 CZ TYR A 67 6.146 11.505 -2.275 1.00 0.00 C ATOM 960 OH TYR A 67 6.445 12.792 -1.892 1.00 0.00 O ATOM 0 H TYR A 67 5.501 6.795 -6.275 1.00 0.00 H new ATOM 0 HA TYR A 67 7.278 7.133 -3.960 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.276 7.489 -4.022 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.062 6.878 -2.580 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.183 9.752 -4.979 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.984 8.389 -1.021 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.717 12.050 -4.297 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.512 10.686 -0.336 1.00 0.00 H new ATOM 0 HH TYR A 67 6.672 12.805 -0.939 1.00 0.00 H new ATOM 970 N ALA A 68 6.735 4.746 -3.194 1.00 0.00 N ATOM 971 CA ALA A 68 6.694 3.302 -2.998 1.00 0.00 C ATOM 972 C ALA A 68 6.316 2.953 -1.562 1.00 0.00 C ATOM 973 O ALA A 68 6.732 3.626 -0.619 1.00 0.00 O ATOM 974 CB ALA A 68 8.036 2.683 -3.358 1.00 0.00 C ATOM 0 H ALA A 68 7.214 5.259 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 68 5.929 2.892 -3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.991 1.604 -3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.266 2.894 -4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.814 3.106 -2.723 1.00 0.00 H new ATOM 980 N VAL A 69 5.525 1.897 -1.404 1.00 0.00 N ATOM 981 CA VAL A 69 5.091 1.458 -0.083 1.00 0.00 C ATOM 982 C VAL A 69 5.241 -0.051 0.072 1.00 0.00 C ATOM 983 O VAL A 69 4.636 -0.824 -0.671 1.00 0.00 O ATOM 984 CB VAL A 69 3.625 1.848 0.185 1.00 0.00 C ATOM 985 CG1 VAL A 69 3.220 1.464 1.600 1.00 0.00 C ATOM 986 CG2 VAL A 69 3.417 3.336 -0.054 1.00 0.00 C ATOM 0 H VAL A 69 5.172 1.329 -2.174 1.00 0.00 H new ATOM 0 HA VAL A 69 5.731 1.960 0.643 1.00 0.00 H new ATOM 0 HB VAL A 69 2.989 1.300 -0.510 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.181 1.747 1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.328 0.387 1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.860 1.982 2.315 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.376 3.594 0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.062 3.906 0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.664 3.576 -1.088 1.00 0.00 H new ATOM 996 N ARG A 70 6.051 -0.464 1.042 1.00 0.00 N ATOM 997 CA ARG A 70 6.281 -1.881 1.294 1.00 0.00 C ATOM 998 C ARG A 70 5.487 -2.353 2.508 1.00 0.00 C ATOM 999 O ARG A 70 5.404 -1.654 3.519 1.00 0.00 O ATOM 1000 CB ARG A 70 7.772 -2.147 1.510 1.00 0.00 C ATOM 1001 CG ARG A 70 8.208 -3.543 1.096 1.00 0.00 C ATOM 1002 CD ARG A 70 9.512 -3.941 1.769 1.00 0.00 C ATOM 1003 NE ARG A 70 10.678 -3.492 1.012 1.00 0.00 N ATOM 1004 CZ ARG A 70 11.911 -3.937 1.228 1.00 0.00 C ATOM 1005 NH1 ARG A 70 12.137 -4.839 2.173 1.00 0.00 N ATOM 1006 NH2 ARG A 70 12.920 -3.480 0.497 1.00 0.00 N ATOM 0 H ARG A 70 6.559 0.163 1.666 1.00 0.00 H new ATOM 0 HA ARG A 70 5.943 -2.439 0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.349 -1.413 0.947 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.010 -1.999 2.563 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.430 -4.261 1.355 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.329 -3.582 0.013 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.546 -3.517 2.773 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.547 -5.025 1.879 1.00 0.00 H new ATOM 0 HE ARG A 70 10.538 -2.799 0.277 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.363 -5.193 2.736 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.084 -5.179 2.337 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.749 -2.787 -0.231 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.866 -3.822 0.663 1.00 0.00 H new ATOM 1020 N PHE A 71 4.905 -3.543 2.402 1.00 0.00 N ATOM 1021 CA PHE A 71 4.116 -4.108 3.491 1.00 0.00 C ATOM 1022 C PHE A 71 3.978 -5.619 3.335 1.00 0.00 C ATOM 1023 O PHE A 71 4.222 -6.168 2.259 1.00 0.00 O ATOM 1024 CB PHE A 71 2.731 -3.460 3.535 1.00 0.00 C ATOM 1025 CG PHE A 71 1.826 -3.903 2.421 1.00 0.00 C ATOM 1026 CD1 PHE A 71 1.900 -3.308 1.172 1.00 0.00 C ATOM 1027 CD2 PHE A 71 0.900 -4.914 2.624 1.00 0.00 C ATOM 1028 CE1 PHE A 71 1.069 -3.713 0.145 1.00 0.00 C ATOM 1029 CE2 PHE A 71 0.067 -5.324 1.600 1.00 0.00 C ATOM 1030 CZ PHE A 71 0.150 -4.722 0.360 1.00 0.00 C ATOM 0 H PHE A 71 4.965 -4.135 1.573 1.00 0.00 H new ATOM 0 HA PHE A 71 4.635 -3.903 4.427 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.260 -3.693 4.490 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.844 -2.377 3.492 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.616 -2.518 0.999 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.829 -5.386 3.593 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.138 -3.242 -0.824 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.649 -6.115 1.770 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.502 -5.039 -0.440 1.00 0.00 H new ATOM 1040 N ILE A 72 3.586 -6.286 4.415 1.00 0.00 N ATOM 1041 CA ILE A 72 3.415 -7.734 4.398 1.00 0.00 C ATOM 1042 C ILE A 72 1.957 -8.118 4.622 1.00 0.00 C ATOM 1043 O ILE A 72 1.428 -8.029 5.730 1.00 0.00 O ATOM 1044 CB ILE A 72 4.284 -8.416 5.472 1.00 0.00 C ATOM 1045 CG1 ILE A 72 5.760 -8.073 5.259 1.00 0.00 C ATOM 1046 CG2 ILE A 72 4.075 -9.922 5.444 1.00 0.00 C ATOM 1047 CD1 ILE A 72 6.647 -8.476 6.416 1.00 0.00 C ATOM 0 H ILE A 72 3.381 -5.847 5.313 1.00 0.00 H new ATOM 0 HA ILE A 72 3.732 -8.077 3.413 1.00 0.00 H new ATOM 0 HB ILE A 72 3.982 -8.045 6.452 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.112 -8.566 4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.855 -7.000 5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.696 -10.390 6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.027 -10.148 5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.353 -10.310 4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.679 -8.202 6.196 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.321 -7.963 7.321 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.582 -9.554 6.567 1.00 0.00 H new ATOM 1059 N PRO A 73 1.289 -8.557 3.545 1.00 0.00 N ATOM 1060 CA PRO A 73 -0.118 -8.966 3.598 1.00 0.00 C ATOM 1061 C PRO A 73 -0.315 -10.265 4.372 1.00 0.00 C ATOM 1062 O PRO A 73 -0.453 -11.337 3.781 1.00 0.00 O ATOM 1063 CB PRO A 73 -0.487 -9.160 2.125 1.00 0.00 C ATOM 1064 CG PRO A 73 0.805 -9.465 1.448 1.00 0.00 C ATOM 1065 CD PRO A 73 1.856 -8.689 2.192 1.00 0.00 C ATOM 0 HA PRO A 73 -0.737 -8.231 4.113 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.201 -9.974 2.000 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.949 -8.264 1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.017 -10.534 1.475 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.774 -9.173 0.398 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.810 -9.216 2.206 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.036 -7.716 1.735 1.00 0.00 H new ATOM 1073 N HIS A 74 -0.327 -10.163 5.697 1.00 0.00 N ATOM 1074 CA HIS A 74 -0.509 -11.331 6.552 1.00 0.00 C ATOM 1075 C HIS A 74 -1.702 -11.141 7.484 1.00 0.00 C ATOM 1076 O HIS A 74 -1.623 -10.401 8.464 1.00 0.00 O ATOM 1077 CB HIS A 74 0.756 -11.592 7.370 1.00 0.00 C ATOM 1078 CG HIS A 74 1.054 -10.519 8.372 1.00 0.00 C ATOM 1079 ND1 HIS A 74 1.866 -9.439 8.098 1.00 0.00 N ATOM 1080 CD2 HIS A 74 0.642 -10.364 9.652 1.00 0.00 C ATOM 1081 CE1 HIS A 74 1.941 -8.666 9.167 1.00 0.00 C ATOM 1082 NE2 HIS A 74 1.207 -9.205 10.124 1.00 0.00 N ATOM 0 H HIS A 74 -0.213 -9.284 6.202 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.703 -12.192 5.913 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.652 -12.544 7.890 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.604 -11.690 6.692 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.010 -11.028 10.200 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.506 -7.749 9.245 1.00 0.00 H new ATOM 0 HE2 HIS A 74 1.081 -8.822 11.061 1.00 0.00 H new ATOM 1090 N GLU A 75 -2.805 -11.814 7.171 1.00 0.00 N ATOM 1091 CA GLU A 75 -4.013 -11.718 7.981 1.00 0.00 C ATOM 1092 C GLU A 75 -4.766 -13.045 7.995 1.00 0.00 C ATOM 1093 O GLU A 75 -4.373 -14.001 7.328 1.00 0.00 O ATOM 1094 CB GLU A 75 -4.923 -10.608 7.449 1.00 0.00 C ATOM 1095 CG GLU A 75 -4.371 -9.210 7.669 1.00 0.00 C ATOM 1096 CD GLU A 75 -5.312 -8.127 7.178 1.00 0.00 C ATOM 1097 OE1 GLU A 75 -6.489 -8.443 6.908 1.00 0.00 O ATOM 1098 OE2 GLU A 75 -4.871 -6.965 7.063 1.00 0.00 O ATOM 0 H GLU A 75 -2.887 -12.431 6.363 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.717 -11.478 9.002 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.084 -10.762 6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.897 -10.685 7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.177 -9.063 8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.415 -9.116 7.154 1.00 0.00 H new ATOM 1105 N ASN A 76 -5.851 -13.095 8.761 1.00 0.00 N ATOM 1106 CA ASN A 76 -6.659 -14.305 8.864 1.00 0.00 C ATOM 1107 C ASN A 76 -7.890 -14.215 7.966 1.00 0.00 C ATOM 1108 O ASN A 76 -8.783 -15.058 8.033 1.00 0.00 O ATOM 1109 CB ASN A 76 -7.088 -14.535 10.315 1.00 0.00 C ATOM 1110 CG ASN A 76 -8.349 -13.771 10.673 1.00 0.00 C ATOM 1111 OD1 ASN A 76 -9.427 -14.353 10.794 1.00 0.00 O ATOM 1112 ND2 ASN A 76 -8.218 -12.461 10.844 1.00 0.00 N ATOM 0 H ASN A 76 -6.191 -12.312 9.319 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.051 -15.147 8.534 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.253 -15.600 10.478 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.281 -14.232 10.982 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.031 -11.894 11.086 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -7.304 -12.021 10.733 1.00 0.00 H new ATOM 1119 N GLY A 77 -7.928 -13.186 7.125 1.00 0.00 N ATOM 1120 CA GLY A 77 -9.053 -13.005 6.226 1.00 0.00 C ATOM 1121 C GLY A 77 -8.747 -12.032 5.104 1.00 0.00 C ATOM 1122 O GLY A 77 -7.871 -12.284 4.276 1.00 0.00 O ATOM 0 H GLY A 77 -7.200 -12.475 7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.333 -13.969 5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.912 -12.644 6.792 1.00 0.00 H new ATOM 1126 N VAL A 78 -9.472 -10.918 5.074 1.00 0.00 N ATOM 1127 CA VAL A 78 -9.274 -9.905 4.045 1.00 0.00 C ATOM 1128 C VAL A 78 -8.511 -8.705 4.594 1.00 0.00 C ATOM 1129 O VAL A 78 -8.723 -8.290 5.734 1.00 0.00 O ATOM 1130 CB VAL A 78 -10.617 -9.423 3.466 1.00 0.00 C ATOM 1131 CG1 VAL A 78 -10.394 -8.315 2.449 1.00 0.00 C ATOM 1132 CG2 VAL A 78 -11.375 -10.586 2.842 1.00 0.00 C ATOM 0 H VAL A 78 -10.202 -10.695 5.751 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.690 -10.371 3.251 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.220 -9.020 4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.355 -7.988 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.895 -7.474 2.931 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.772 -8.688 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.322 -10.228 2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.779 -11.020 2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.568 -11.344 3.601 1.00 0.00 H new ATOM 1142 N HIS A 79 -7.621 -8.151 3.777 1.00 0.00 N ATOM 1143 CA HIS A 79 -6.826 -6.997 4.181 1.00 0.00 C ATOM 1144 C HIS A 79 -7.499 -5.696 3.751 1.00 0.00 C ATOM 1145 O HIS A 79 -8.289 -5.676 2.807 1.00 0.00 O ATOM 1146 CB HIS A 79 -5.423 -7.082 3.579 1.00 0.00 C ATOM 1147 CG HIS A 79 -4.739 -8.389 3.837 1.00 0.00 C ATOM 1148 ND1 HIS A 79 -3.810 -8.566 4.840 1.00 0.00 N ATOM 1149 CD2 HIS A 79 -4.855 -9.586 3.217 1.00 0.00 C ATOM 1150 CE1 HIS A 79 -3.382 -9.816 4.825 1.00 0.00 C ATOM 1151 NE2 HIS A 79 -4.001 -10.456 3.849 1.00 0.00 N ATOM 0 H HIS A 79 -7.432 -8.483 2.831 1.00 0.00 H new ATOM 0 HA HIS A 79 -6.748 -7.003 5.268 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.488 -6.921 2.503 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.813 -6.275 3.985 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.501 -7.845 5.492 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.499 -9.815 2.381 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.651 -10.242 5.496 1.00 0.00 H new ATOM 1159 N THR A 80 -7.181 -4.612 4.451 1.00 0.00 N ATOM 1160 CA THR A 80 -7.756 -3.308 4.143 1.00 0.00 C ATOM 1161 C THR A 80 -6.687 -2.221 4.152 1.00 0.00 C ATOM 1162 O THR A 80 -6.175 -1.849 5.208 1.00 0.00 O ATOM 1163 CB THR A 80 -8.863 -2.932 5.146 1.00 0.00 C ATOM 1164 OG1 THR A 80 -9.843 -3.974 5.207 1.00 0.00 O ATOM 1165 CG2 THR A 80 -9.530 -1.623 4.750 1.00 0.00 C ATOM 0 H THR A 80 -6.529 -4.611 5.235 1.00 0.00 H new ATOM 0 HA THR A 80 -8.189 -3.380 3.145 1.00 0.00 H new ATOM 0 HB THR A 80 -8.406 -2.806 6.128 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.542 -3.728 5.848 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.308 -1.378 5.473 1.00 0.00 H new ATOM 0 HG22 THR A 80 -8.786 -0.826 4.733 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.974 -1.726 3.760 1.00 0.00 H new ATOM 1173 N ILE A 81 -6.356 -1.714 2.969 1.00 0.00 N ATOM 1174 CA ILE A 81 -5.350 -0.668 2.841 1.00 0.00 C ATOM 1175 C ILE A 81 -5.971 0.715 3.007 1.00 0.00 C ATOM 1176 O ILE A 81 -6.884 1.089 2.272 1.00 0.00 O ATOM 1177 CB ILE A 81 -4.635 -0.737 1.478 1.00 0.00 C ATOM 1178 CG1 ILE A 81 -4.000 -2.115 1.280 1.00 0.00 C ATOM 1179 CG2 ILE A 81 -3.583 0.357 1.376 1.00 0.00 C ATOM 1180 CD1 ILE A 81 -3.553 -2.376 -0.141 1.00 0.00 C ATOM 0 H ILE A 81 -6.770 -2.011 2.086 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.620 -0.834 3.633 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.371 -0.580 0.690 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.142 -2.210 1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.717 -2.882 1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.087 0.295 0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.061 1.332 1.477 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.847 0.229 2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.113 -3.371 -0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.412 -2.314 -0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.812 -1.631 -0.432 1.00 0.00 H new ATOM 1192 N ASP A 82 -5.467 1.471 3.977 1.00 0.00 N ATOM 1193 CA ASP A 82 -5.970 2.814 4.238 1.00 0.00 C ATOM 1194 C ASP A 82 -5.017 3.869 3.685 1.00 0.00 C ATOM 1195 O ASP A 82 -3.902 4.034 4.180 1.00 0.00 O ATOM 1196 CB ASP A 82 -6.167 3.025 5.741 1.00 0.00 C ATOM 1197 CG ASP A 82 -6.840 4.346 6.057 1.00 0.00 C ATOM 1198 OD1 ASP A 82 -6.493 5.358 5.412 1.00 0.00 O ATOM 1199 OD2 ASP A 82 -7.714 4.368 6.948 1.00 0.00 O ATOM 0 H ASP A 82 -4.711 1.176 4.595 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.931 2.919 3.735 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -6.767 2.209 6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.199 2.985 6.240 1.00 0.00 H new ATOM 1204 N VAL A 83 -5.463 4.580 2.654 1.00 0.00 N ATOM 1205 CA VAL A 83 -4.650 5.618 2.033 1.00 0.00 C ATOM 1206 C VAL A 83 -5.230 7.003 2.298 1.00 0.00 C ATOM 1207 O VAL A 83 -6.304 7.344 1.802 1.00 0.00 O ATOM 1208 CB VAL A 83 -4.533 5.405 0.512 1.00 0.00 C ATOM 1209 CG1 VAL A 83 -3.670 6.490 -0.115 1.00 0.00 C ATOM 1210 CG2 VAL A 83 -3.972 4.024 0.209 1.00 0.00 C ATOM 0 H VAL A 83 -6.383 4.456 2.232 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.658 5.551 2.479 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.530 5.471 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.599 6.323 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.119 7.465 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.673 6.460 0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.896 3.891 -0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.983 3.927 0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.634 3.263 0.623 1.00 0.00 H new ATOM 1220 N LYS A 84 -4.512 7.798 3.084 1.00 0.00 N ATOM 1221 CA LYS A 84 -4.954 9.148 3.415 1.00 0.00 C ATOM 1222 C LYS A 84 -4.059 10.191 2.753 1.00 0.00 C ATOM 1223 O LYS A 84 -2.833 10.097 2.808 1.00 0.00 O ATOM 1224 CB LYS A 84 -4.952 9.349 4.933 1.00 0.00 C ATOM 1225 CG LYS A 84 -6.200 8.821 5.618 1.00 0.00 C ATOM 1226 CD LYS A 84 -5.912 8.389 7.046 1.00 0.00 C ATOM 1227 CE LYS A 84 -7.156 8.477 7.916 1.00 0.00 C ATOM 1228 NZ LYS A 84 -7.433 9.875 8.348 1.00 0.00 N ATOM 0 H LYS A 84 -3.622 7.531 3.504 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.969 9.274 3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.078 8.853 5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.851 10.412 5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.970 9.593 5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.596 7.976 5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.536 7.366 7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.127 9.018 7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.013 8.091 7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.031 7.844 8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.289 9.893 8.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.626 10.235 8.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.578 10.475 7.511 1.00 0.00 H new ATOM 1242 N PHE A 85 -4.681 11.185 2.127 1.00 0.00 N ATOM 1243 CA PHE A 85 -3.941 12.246 1.454 1.00 0.00 C ATOM 1244 C PHE A 85 -4.461 13.619 1.869 1.00 0.00 C ATOM 1245 O PHE A 85 -5.502 14.070 1.392 1.00 0.00 O ATOM 1246 CB PHE A 85 -4.044 12.086 -0.064 1.00 0.00 C ATOM 1247 CG PHE A 85 -3.088 12.958 -0.826 1.00 0.00 C ATOM 1248 CD1 PHE A 85 -1.761 12.586 -0.977 1.00 0.00 C ATOM 1249 CD2 PHE A 85 -3.515 14.148 -1.391 1.00 0.00 C ATOM 1250 CE1 PHE A 85 -0.879 13.387 -1.677 1.00 0.00 C ATOM 1251 CE2 PHE A 85 -2.637 14.953 -2.092 1.00 0.00 C ATOM 1252 CZ PHE A 85 -1.317 14.571 -2.236 1.00 0.00 C ATOM 0 H PHE A 85 -5.695 11.278 2.072 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.895 12.169 1.750 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.859 11.044 -0.325 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.062 12.317 -0.377 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -1.413 11.660 -0.543 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.546 14.451 -1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.153 13.087 -1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.982 15.879 -2.527 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.629 15.197 -2.785 1.00 0.00 H new ATOM 1262 N ASN A 86 -3.728 14.279 2.760 1.00 0.00 N ATOM 1263 CA ASN A 86 -4.116 15.600 3.241 1.00 0.00 C ATOM 1264 C ASN A 86 -5.436 15.537 4.002 1.00 0.00 C ATOM 1265 O ASN A 86 -6.245 16.462 3.941 1.00 0.00 O ATOM 1266 CB ASN A 86 -4.236 16.577 2.069 1.00 0.00 C ATOM 1267 CG ASN A 86 -4.073 18.021 2.501 1.00 0.00 C ATOM 1268 OD1 ASN A 86 -4.579 18.429 3.546 1.00 0.00 O ATOM 1269 ND2 ASN A 86 -3.363 18.803 1.695 1.00 0.00 N ATOM 0 H ASN A 86 -2.862 13.921 3.163 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.342 15.953 3.922 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.481 16.337 1.321 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.208 16.451 1.592 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.219 19.784 1.933 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.962 18.422 0.838 1.00 0.00 H new ATOM 1276 N GLY A 87 -5.647 14.438 4.720 1.00 0.00 N ATOM 1277 CA GLY A 87 -6.870 14.273 5.483 1.00 0.00 C ATOM 1278 C GLY A 87 -8.077 14.029 4.599 1.00 0.00 C ATOM 1279 O GLY A 87 -9.070 14.752 4.680 1.00 0.00 O ATOM 0 H GLY A 87 -4.992 13.659 4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.754 13.437 6.173 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.040 15.164 6.087 1.00 0.00 H new ATOM 1283 N SER A 88 -7.991 13.009 3.752 1.00 0.00 N ATOM 1284 CA SER A 88 -9.083 12.675 2.845 1.00 0.00 C ATOM 1285 C SER A 88 -8.794 11.373 2.103 1.00 0.00 C ATOM 1286 O SER A 88 -7.871 11.299 1.292 1.00 0.00 O ATOM 1287 CB SER A 88 -9.305 13.808 1.841 1.00 0.00 C ATOM 1288 OG SER A 88 -10.655 13.853 1.413 1.00 0.00 O ATOM 0 H SER A 88 -7.177 12.399 3.675 1.00 0.00 H new ATOM 0 HA SER A 88 -9.988 12.542 3.439 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.033 14.760 2.296 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.652 13.668 0.980 1.00 0.00 H new ATOM 0 HG SER A 88 -10.771 14.586 0.773 1.00 0.00 H new ATOM 1294 N HIS A 89 -9.591 10.348 2.389 1.00 0.00 N ATOM 1295 CA HIS A 89 -9.422 9.048 1.749 1.00 0.00 C ATOM 1296 C HIS A 89 -9.578 9.162 0.236 1.00 0.00 C ATOM 1297 O HIS A 89 -10.650 9.504 -0.264 1.00 0.00 O ATOM 1298 CB HIS A 89 -10.436 8.047 2.304 1.00 0.00 C ATOM 1299 CG HIS A 89 -10.135 7.601 3.702 1.00 0.00 C ATOM 1300 ND1 HIS A 89 -10.034 6.275 4.063 1.00 0.00 N ATOM 1301 CD2 HIS A 89 -9.911 8.315 4.830 1.00 0.00 C ATOM 1302 CE1 HIS A 89 -9.762 6.191 5.353 1.00 0.00 C ATOM 1303 NE2 HIS A 89 -9.682 7.416 5.842 1.00 0.00 N ATOM 0 H HIS A 89 -10.359 10.392 3.059 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.415 8.692 1.966 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.428 8.497 2.281 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.467 7.174 1.652 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -10.151 5.482 3.432 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -9.912 9.391 4.918 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.628 5.277 5.913 1.00 0.00 H new ATOM 1311 N VAL A 90 -8.501 8.874 -0.489 1.00 0.00 N ATOM 1312 CA VAL A 90 -8.519 8.945 -1.945 1.00 0.00 C ATOM 1313 C VAL A 90 -9.697 8.166 -2.519 1.00 0.00 C ATOM 1314 O VAL A 90 -10.529 7.641 -1.778 1.00 0.00 O ATOM 1315 CB VAL A 90 -7.212 8.396 -2.549 1.00 0.00 C ATOM 1316 CG1 VAL A 90 -6.011 9.143 -1.990 1.00 0.00 C ATOM 1317 CG2 VAL A 90 -7.091 6.903 -2.288 1.00 0.00 C ATOM 0 H VAL A 90 -7.606 8.590 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.620 9.998 -2.210 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.236 8.552 -3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.097 8.742 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.096 10.202 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.979 9.021 -0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.162 6.532 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.088 6.721 -1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.936 6.385 -2.742 1.00 0.00 H new ATOM 1327 N VAL A 91 -9.763 8.094 -3.845 1.00 0.00 N ATOM 1328 CA VAL A 91 -10.839 7.378 -4.519 1.00 0.00 C ATOM 1329 C VAL A 91 -10.718 5.873 -4.302 1.00 0.00 C ATOM 1330 O VAL A 91 -9.621 5.317 -4.333 1.00 0.00 O ATOM 1331 CB VAL A 91 -10.845 7.668 -6.032 1.00 0.00 C ATOM 1332 CG1 VAL A 91 -10.685 9.158 -6.290 1.00 0.00 C ATOM 1333 CG2 VAL A 91 -9.748 6.877 -6.730 1.00 0.00 C ATOM 0 H VAL A 91 -9.084 8.523 -4.473 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.774 7.731 -4.085 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.805 7.353 -6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.691 9.344 -7.364 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.508 9.699 -5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.740 9.501 -5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.767 7.094 -7.798 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.779 7.159 -6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.912 5.811 -6.573 1.00 0.00 H new ATOM 1343 N GLY A 92 -11.855 5.219 -4.082 1.00 0.00 N ATOM 1344 CA GLY A 92 -11.855 3.785 -3.863 1.00 0.00 C ATOM 1345 C GLY A 92 -11.092 3.389 -2.615 1.00 0.00 C ATOM 1346 O GLY A 92 -10.504 2.309 -2.555 1.00 0.00 O ATOM 0 H GLY A 92 -12.776 5.657 -4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.883 3.433 -3.783 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.414 3.289 -4.727 1.00 0.00 H new ATOM 1350 N SER A 93 -11.100 4.265 -1.615 1.00 0.00 N ATOM 1351 CA SER A 93 -10.399 4.003 -0.364 1.00 0.00 C ATOM 1352 C SER A 93 -11.378 3.938 0.804 1.00 0.00 C ATOM 1353 O SER A 93 -12.377 4.656 0.851 1.00 0.00 O ATOM 1354 CB SER A 93 -9.351 5.088 -0.105 1.00 0.00 C ATOM 1355 OG SER A 93 -8.802 4.967 1.195 1.00 0.00 O ATOM 0 H SER A 93 -11.584 5.162 -1.647 1.00 0.00 H new ATOM 0 HA SER A 93 -9.900 3.038 -0.452 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.556 5.015 -0.847 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.805 6.072 -0.221 1.00 0.00 H new ATOM 0 HG SER A 93 -8.134 5.671 1.335 1.00 0.00 H new ATOM 1361 N PRO A 94 -11.086 3.056 1.771 1.00 0.00 N ATOM 1362 CA PRO A 94 -9.900 2.195 1.726 1.00 0.00 C ATOM 1363 C PRO A 94 -10.001 1.125 0.645 1.00 0.00 C ATOM 1364 O PRO A 94 -11.048 0.959 0.017 1.00 0.00 O ATOM 1365 CB PRO A 94 -9.876 1.552 3.115 1.00 0.00 C ATOM 1366 CG PRO A 94 -11.293 1.581 3.571 1.00 0.00 C ATOM 1367 CD PRO A 94 -11.892 2.829 2.983 1.00 0.00 C ATOM 0 HA PRO A 94 -8.997 2.757 1.486 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.495 0.532 3.072 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.230 2.105 3.796 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -11.830 0.694 3.234 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.353 1.595 4.659 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.947 2.695 2.745 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.826 3.670 3.673 1.00 0.00 H new ATOM 1375 N PHE A 95 -8.908 0.401 0.432 1.00 0.00 N ATOM 1376 CA PHE A 95 -8.873 -0.654 -0.575 1.00 0.00 C ATOM 1377 C PHE A 95 -8.937 -2.032 0.078 1.00 0.00 C ATOM 1378 O PHE A 95 -8.457 -2.225 1.195 1.00 0.00 O ATOM 1379 CB PHE A 95 -7.605 -0.538 -1.423 1.00 0.00 C ATOM 1380 CG PHE A 95 -7.600 0.657 -2.333 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -8.289 0.632 -3.535 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -6.908 1.806 -1.986 1.00 0.00 C ATOM 1383 CE1 PHE A 95 -8.285 1.730 -4.375 1.00 0.00 C ATOM 1384 CE2 PHE A 95 -6.901 2.907 -2.821 1.00 0.00 C ATOM 1385 CZ PHE A 95 -7.591 2.869 -4.017 1.00 0.00 C ATOM 0 H PHE A 95 -8.034 0.525 0.943 1.00 0.00 H new ATOM 0 HA PHE A 95 -9.744 -0.535 -1.219 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.739 -0.486 -0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -7.494 -1.442 -2.022 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.835 -0.255 -3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.368 1.842 -1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.824 1.697 -5.310 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.357 3.796 -2.539 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.588 3.728 -4.671 1.00 0.00 H new ATOM 1395 N LYS A 96 -9.535 -2.987 -0.626 1.00 0.00 N ATOM 1396 CA LYS A 96 -9.662 -4.347 -0.118 1.00 0.00 C ATOM 1397 C LYS A 96 -8.970 -5.342 -1.044 1.00 0.00 C ATOM 1398 O LYS A 96 -9.034 -5.214 -2.267 1.00 0.00 O ATOM 1399 CB LYS A 96 -11.138 -4.720 0.036 1.00 0.00 C ATOM 1400 CG LYS A 96 -11.818 -5.069 -1.277 1.00 0.00 C ATOM 1401 CD LYS A 96 -13.162 -5.740 -1.048 1.00 0.00 C ATOM 1402 CE LYS A 96 -13.570 -6.590 -2.241 1.00 0.00 C ATOM 1403 NZ LYS A 96 -14.121 -5.763 -3.350 1.00 0.00 N ATOM 0 H LYS A 96 -9.940 -2.843 -1.551 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.178 -4.389 0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.221 -5.569 0.715 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.668 -3.888 0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.958 -4.163 -1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -11.174 -5.730 -1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.111 -6.364 -0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.922 -4.981 -0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.706 -7.150 -2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.316 -7.321 -1.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -14.387 -6.380 -4.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -14.960 -5.248 -3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -13.401 -5.083 -3.667 1.00 0.00 H new ATOM 1417 N VAL A 97 -8.310 -6.333 -0.454 1.00 0.00 N ATOM 1418 CA VAL A 97 -7.608 -7.351 -1.227 1.00 0.00 C ATOM 1419 C VAL A 97 -7.677 -8.709 -0.538 1.00 0.00 C ATOM 1420 O VAL A 97 -7.679 -8.793 0.691 1.00 0.00 O ATOM 1421 CB VAL A 97 -6.131 -6.972 -1.443 1.00 0.00 C ATOM 1422 CG1 VAL A 97 -6.022 -5.638 -2.167 1.00 0.00 C ATOM 1423 CG2 VAL A 97 -5.392 -6.928 -0.114 1.00 0.00 C ATOM 0 H VAL A 97 -8.247 -6.453 0.557 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.105 -7.412 -2.195 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.666 -7.736 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.971 -5.387 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.514 -5.709 -3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.503 -4.861 -1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.350 -6.659 -0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.856 -6.186 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.440 -7.908 0.362 1.00 0.00 H new ATOM 1433 N ARG A 98 -7.732 -9.769 -1.336 1.00 0.00 N ATOM 1434 CA ARG A 98 -7.802 -11.125 -0.803 1.00 0.00 C ATOM 1435 C ARG A 98 -6.431 -11.794 -0.840 1.00 0.00 C ATOM 1436 O ARG A 98 -5.741 -11.765 -1.859 1.00 0.00 O ATOM 1437 CB ARG A 98 -8.809 -11.957 -1.598 1.00 0.00 C ATOM 1438 CG ARG A 98 -10.224 -11.892 -1.046 1.00 0.00 C ATOM 1439 CD ARG A 98 -11.258 -12.146 -2.131 1.00 0.00 C ATOM 1440 NE ARG A 98 -11.363 -13.563 -2.467 1.00 0.00 N ATOM 1441 CZ ARG A 98 -11.963 -14.460 -1.691 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -12.510 -14.087 -0.543 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -12.018 -15.732 -2.065 1.00 0.00 N ATOM 0 H ARG A 98 -7.729 -9.716 -2.355 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.130 -11.065 0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.815 -11.613 -2.632 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.480 -12.996 -1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.340 -12.629 -0.252 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -10.397 -10.913 -0.599 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.229 -11.779 -1.799 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.992 -11.581 -3.024 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.954 -13.882 -3.345 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -12.471 -13.110 -0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.970 -14.777 0.051 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.600 -16.022 -2.949 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.479 -16.419 -1.469 1.00 0.00 H new ATOM 1457 N VAL A 99 -6.042 -12.397 0.279 1.00 0.00 N ATOM 1458 CA VAL A 99 -4.755 -13.074 0.376 1.00 0.00 C ATOM 1459 C VAL A 99 -4.858 -14.520 -0.096 1.00 0.00 C ATOM 1460 O VAL A 99 -5.733 -15.266 0.341 1.00 0.00 O ATOM 1461 CB VAL A 99 -4.216 -13.054 1.819 1.00 0.00 C ATOM 1462 CG1 VAL A 99 -4.966 -14.056 2.683 1.00 0.00 C ATOM 1463 CG2 VAL A 99 -2.722 -13.338 1.833 1.00 0.00 C ATOM 0 H VAL A 99 -6.601 -12.430 1.132 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.064 -12.532 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.377 -12.060 2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.572 -14.028 3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.026 -13.802 2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.839 -15.058 2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.358 -13.320 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.534 -14.320 1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.202 -12.578 1.250 1.00 0.00 H new ATOM 1473 N GLY A 100 -3.957 -14.910 -0.993 1.00 0.00 N ATOM 1474 CA GLY A 100 -3.964 -16.266 -1.510 1.00 0.00 C ATOM 1475 C GLY A 100 -3.271 -16.378 -2.854 1.00 0.00 C ATOM 1476 O GLY A 100 -3.358 -15.471 -3.680 1.00 0.00 O ATOM 0 H GLY A 100 -3.223 -14.311 -1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.473 -16.927 -0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.994 -16.610 -1.606 1.00 0.00 H new ATOM 1480 N GLU A 101 -2.581 -17.493 -3.071 1.00 0.00 N ATOM 1481 CA GLU A 101 -1.869 -17.718 -4.323 1.00 0.00 C ATOM 1482 C GLU A 101 -2.829 -18.158 -5.424 1.00 0.00 C ATOM 1483 O GLU A 101 -3.743 -18.954 -5.204 1.00 0.00 O ATOM 1484 CB GLU A 101 -0.777 -18.773 -4.133 1.00 0.00 C ATOM 1485 CG GLU A 101 0.315 -18.716 -5.188 1.00 0.00 C ATOM 1486 CD GLU A 101 1.422 -19.721 -4.936 1.00 0.00 C ATOM 1487 OE1 GLU A 101 1.231 -20.911 -5.266 1.00 0.00 O ATOM 1488 OE2 GLU A 101 2.481 -19.318 -4.410 1.00 0.00 O ATOM 0 H GLU A 101 -2.500 -18.254 -2.397 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.407 -16.777 -4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -0.327 -18.644 -3.149 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.233 -19.763 -4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.123 -18.901 -6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.739 -17.712 -5.213 1.00 0.00 H new ATOM 1495 N PRO A 102 -2.620 -17.629 -6.638 1.00 0.00 N ATOM 1496 CA PRO A 102 -3.456 -17.952 -7.798 1.00 0.00 C ATOM 1497 C PRO A 102 -3.251 -19.384 -8.280 1.00 0.00 C ATOM 1498 O PRO A 102 -3.924 -19.841 -9.203 1.00 0.00 O ATOM 1499 CB PRO A 102 -2.986 -16.957 -8.863 1.00 0.00 C ATOM 1500 CG PRO A 102 -1.588 -16.621 -8.475 1.00 0.00 C ATOM 1501 CD PRO A 102 -1.550 -16.674 -6.973 1.00 0.00 C ATOM 0 HA PRO A 102 -4.519 -17.879 -7.567 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -3.026 -17.396 -9.860 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.617 -16.068 -8.881 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.882 -17.329 -8.908 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -1.310 -15.631 -8.838 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.581 -17.012 -6.607 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.733 -15.694 -6.532 1.00 0.00 H new ATOM 1509 N GLY A 103 -2.317 -20.088 -7.647 1.00 0.00 N ATOM 1510 CA GLY A 103 -2.041 -21.462 -8.026 1.00 0.00 C ATOM 1511 C GLY A 103 -0.958 -21.566 -9.082 1.00 0.00 C ATOM 1512 O GLY A 103 -0.199 -20.622 -9.295 1.00 0.00 O ATOM 0 H GLY A 103 -1.747 -19.732 -6.880 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.739 -22.025 -7.143 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.955 -21.923 -8.401 1.00 0.00 H new ATOM 1516 N GLN A 104 -0.887 -22.717 -9.742 1.00 0.00 N ATOM 1517 CA GLN A 104 0.112 -22.941 -10.780 1.00 0.00 C ATOM 1518 C GLN A 104 -0.526 -22.916 -12.165 1.00 0.00 C ATOM 1519 O GLN A 104 -1.386 -23.739 -12.477 1.00 0.00 O ATOM 1520 CB GLN A 104 0.821 -24.278 -10.556 1.00 0.00 C ATOM 1521 CG GLN A 104 2.239 -24.315 -11.102 1.00 0.00 C ATOM 1522 CD GLN A 104 2.317 -23.877 -12.551 1.00 0.00 C ATOM 1523 OE1 GLN A 104 3.002 -22.909 -12.883 1.00 0.00 O ATOM 1524 NE2 GLN A 104 1.614 -24.590 -13.424 1.00 0.00 N ATOM 0 H GLN A 104 -1.509 -23.508 -9.577 1.00 0.00 H new ATOM 0 HA GLN A 104 0.844 -22.136 -10.723 1.00 0.00 H new ATOM 0 HB2 GLN A 104 0.847 -24.491 -9.487 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.239 -25.071 -11.026 1.00 0.00 H new ATOM 0 HG2 GLN A 104 2.875 -23.669 -10.496 1.00 0.00 H new ATOM 0 HG3 GLN A 104 2.633 -25.327 -11.010 1.00 0.00 H new ATOM 0 HE21 GLN A 104 1.060 -25.385 -13.105 1.00 0.00 H new ATOM 0 HE22 GLN A 104 1.628 -24.343 -14.413 1.00 0.00 H new ATOM 1533 N ALA A 105 -0.099 -21.967 -12.991 1.00 0.00 N ATOM 1534 CA ALA A 105 -0.627 -21.836 -14.343 1.00 0.00 C ATOM 1535 C ALA A 105 0.227 -22.608 -15.343 1.00 0.00 C ATOM 1536 O ALA A 105 1.443 -22.432 -15.401 1.00 0.00 O ATOM 1537 CB ALA A 105 -0.711 -20.369 -14.738 1.00 0.00 C ATOM 0 H ALA A 105 0.612 -21.277 -12.747 1.00 0.00 H new ATOM 0 HA ALA A 105 -1.630 -22.262 -14.357 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -1.107 -20.287 -15.750 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -1.370 -19.843 -14.047 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.284 -19.925 -14.700 1.00 0.00 H new ATOM 1543 N GLY A 106 -0.418 -23.463 -16.130 1.00 0.00 N ATOM 1544 CA GLY A 106 0.299 -24.249 -17.117 1.00 0.00 C ATOM 1545 C GLY A 106 -0.306 -24.133 -18.502 1.00 0.00 C ATOM 1546 O GLY A 106 0.153 -24.779 -19.444 1.00 0.00 O ATOM 0 H GLY A 106 -1.425 -23.626 -16.102 1.00 0.00 H new ATOM 0 HA2 GLY A 106 1.339 -23.924 -17.150 1.00 0.00 H new ATOM 0 HA3 GLY A 106 0.301 -25.295 -16.812 1.00 0.00 H new TER 1550 GLY A 106