USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 603 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 61 SER OG : rot 170:sc= -0.246 USER MOD Set 1.2: A 63 GLN : amide:sc= -0.851 K(o=-1.1,f=2.2) USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 2:sc= 0.699 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 20 CYS SG : rot -132:sc= 0.53 USER MOD Single : A 22 THR OG1 : rot 176:sc= 2.27 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 8:sc= 0.0205 USER MOD Single : A 26 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-4!) USER MOD Single : A 27 THR OG1 : rot -160:sc= -0.122 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.058) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 165:sc= -1.18 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -2.19! C(o=-2.2!,f=-7.4!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= -0.0135 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.763 -24.288 5.991 1.00 0.00 N ATOM 2 CA GLY A 1 -10.804 -23.859 4.987 1.00 0.00 C ATOM 3 C GLY A 1 -11.441 -22.872 4.007 1.00 0.00 C ATOM 4 O GLY A 1 -11.659 -23.203 2.842 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.307 -24.957 6.644 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.102 -23.461 6.523 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.568 -24.753 5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.947 -23.392 5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.429 -24.726 4.443 1.00 0.00 H new ATOM 8 N SER A 2 -11.722 -21.681 4.514 1.00 0.00 N ATOM 9 CA SER A 2 -12.329 -20.644 3.697 1.00 0.00 C ATOM 10 C SER A 2 -11.272 -19.621 3.278 1.00 0.00 C ATOM 11 O SER A 2 -10.642 -18.991 4.126 1.00 0.00 O ATOM 12 CB SER A 2 -13.471 -19.952 4.445 1.00 0.00 C ATOM 13 OG SER A 2 -12.989 -19.012 5.401 1.00 0.00 O ATOM 0 H SER A 2 -11.541 -21.411 5.481 1.00 0.00 H new ATOM 0 HA SER A 2 -12.745 -21.112 2.805 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.117 -19.443 3.730 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.081 -20.701 4.949 1.00 0.00 H new ATOM 0 HG SER A 2 -12.010 -18.983 5.366 1.00 0.00 H new ATOM 19 N SER A 3 -11.110 -19.486 1.970 1.00 0.00 N ATOM 20 CA SER A 3 -10.139 -18.550 1.428 1.00 0.00 C ATOM 21 C SER A 3 -10.187 -17.236 2.210 1.00 0.00 C ATOM 22 O SER A 3 -11.087 -16.422 2.008 1.00 0.00 O ATOM 23 CB SER A 3 -10.393 -18.293 -0.059 1.00 0.00 C ATOM 24 OG SER A 3 -10.129 -19.446 -0.853 1.00 0.00 O ATOM 0 H SER A 3 -11.635 -20.009 1.269 1.00 0.00 H new ATOM 0 HA SER A 3 -9.146 -18.989 1.529 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.428 -17.984 -0.202 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.765 -17.469 -0.397 1.00 0.00 H new ATOM 0 HG SER A 3 -10.305 -19.242 -1.795 1.00 0.00 H new ATOM 30 N GLY A 4 -9.207 -17.070 3.086 1.00 0.00 N ATOM 31 CA GLY A 4 -9.126 -15.868 3.899 1.00 0.00 C ATOM 32 C GLY A 4 -7.686 -15.601 4.340 1.00 0.00 C ATOM 33 O GLY A 4 -6.769 -16.322 3.949 1.00 0.00 O ATOM 0 H GLY A 4 -8.462 -17.747 3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.501 -15.015 3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.765 -15.974 4.776 1.00 0.00 H new ATOM 37 N SER A 5 -7.531 -14.563 5.149 1.00 0.00 N ATOM 38 CA SER A 5 -6.218 -14.191 5.647 1.00 0.00 C ATOM 39 C SER A 5 -5.576 -15.379 6.367 1.00 0.00 C ATOM 40 O SER A 5 -6.237 -16.383 6.627 1.00 0.00 O ATOM 41 CB SER A 5 -6.306 -12.987 6.586 1.00 0.00 C ATOM 42 OG SER A 5 -6.163 -11.753 5.887 1.00 0.00 O ATOM 0 H SER A 5 -8.294 -13.968 5.472 1.00 0.00 H new ATOM 0 HA SER A 5 -5.597 -13.910 4.797 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.265 -13.001 7.104 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.530 -13.064 7.348 1.00 0.00 H new ATOM 0 HG SER A 5 -6.227 -11.009 6.521 1.00 0.00 H new ATOM 48 N SER A 6 -4.295 -15.226 6.667 1.00 0.00 N ATOM 49 CA SER A 6 -3.556 -16.273 7.351 1.00 0.00 C ATOM 50 C SER A 6 -2.217 -15.728 7.852 1.00 0.00 C ATOM 51 O SER A 6 -1.932 -15.774 9.048 1.00 0.00 O ATOM 52 CB SER A 6 -3.329 -17.477 6.434 1.00 0.00 C ATOM 53 OG SER A 6 -3.579 -18.711 7.101 1.00 0.00 O ATOM 0 H SER A 6 -3.750 -14.392 6.449 1.00 0.00 H new ATOM 0 HA SER A 6 -4.147 -16.606 8.204 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.980 -17.397 5.563 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.303 -17.465 6.067 1.00 0.00 H new ATOM 0 HG SER A 6 -3.425 -19.455 6.482 1.00 0.00 H new ATOM 59 N GLY A 7 -1.431 -15.224 6.913 1.00 0.00 N ATOM 60 CA GLY A 7 -0.129 -14.670 7.244 1.00 0.00 C ATOM 61 C GLY A 7 0.958 -15.745 7.172 1.00 0.00 C ATOM 62 O GLY A 7 1.203 -16.315 6.110 1.00 0.00 O ATOM 0 H GLY A 7 -1.670 -15.187 5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.111 -13.859 6.557 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.156 -14.241 8.246 1.00 0.00 H new ATOM 66 N ARG A 8 1.580 -15.988 8.316 1.00 0.00 N ATOM 67 CA ARG A 8 2.635 -16.984 8.397 1.00 0.00 C ATOM 68 C ARG A 8 3.602 -16.830 7.221 1.00 0.00 C ATOM 69 O ARG A 8 3.411 -17.441 6.171 1.00 0.00 O ATOM 70 CB ARG A 8 2.057 -18.401 8.390 1.00 0.00 C ATOM 71 CG ARG A 8 3.018 -19.388 9.056 1.00 0.00 C ATOM 72 CD ARG A 8 3.061 -20.713 8.291 1.00 0.00 C ATOM 73 NE ARG A 8 3.679 -20.509 6.961 1.00 0.00 N ATOM 74 CZ ARG A 8 4.202 -21.494 6.218 1.00 0.00 C ATOM 75 NH1 ARG A 8 4.185 -22.755 6.669 1.00 0.00 N ATOM 76 NH2 ARG A 8 4.742 -21.216 5.023 1.00 0.00 N ATOM 0 H ARG A 8 1.374 -15.513 9.195 1.00 0.00 H new ATOM 0 HA ARG A 8 3.169 -16.826 9.334 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.101 -18.410 8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.862 -18.713 7.364 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.018 -18.956 9.098 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.705 -19.568 10.085 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.630 -21.451 8.857 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.052 -21.109 8.176 1.00 0.00 H new ATOM 0 HE ARG A 8 3.708 -19.560 6.587 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.774 -22.966 7.578 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.583 -23.504 6.103 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.755 -20.255 4.680 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.140 -21.965 4.457 1.00 0.00 H new ATOM 90 N MET A 9 4.620 -16.009 7.437 1.00 0.00 N ATOM 91 CA MET A 9 5.617 -15.766 6.408 1.00 0.00 C ATOM 92 C MET A 9 4.977 -15.162 5.156 1.00 0.00 C ATOM 93 O MET A 9 3.835 -15.477 4.824 1.00 0.00 O ATOM 94 CB MET A 9 6.306 -17.082 6.045 1.00 0.00 C ATOM 95 CG MET A 9 7.809 -17.009 6.323 1.00 0.00 C ATOM 96 SD MET A 9 8.484 -18.655 6.466 1.00 0.00 S ATOM 97 CE MET A 9 9.800 -18.351 7.633 1.00 0.00 C ATOM 0 H MET A 9 4.776 -15.504 8.309 1.00 0.00 H new ATOM 0 HA MET A 9 6.348 -15.058 6.797 1.00 0.00 H new ATOM 0 HB2 MET A 9 5.866 -17.897 6.619 1.00 0.00 H new ATOM 0 HB3 MET A 9 6.138 -17.306 4.992 1.00 0.00 H new ATOM 0 HG2 MET A 9 8.310 -16.470 5.519 1.00 0.00 H new ATOM 0 HG3 MET A 9 7.991 -16.451 7.242 1.00 0.00 H new ATOM 0 HE1 MET A 9 10.329 -19.282 7.836 1.00 0.00 H new ATOM 0 HE2 MET A 9 10.495 -17.622 7.216 1.00 0.00 H new ATOM 0 HE3 MET A 9 9.381 -17.963 8.561 1.00 0.00 H new ATOM 107 N PRO A 10 5.761 -14.281 4.478 1.00 0.00 N ATOM 108 CA PRO A 10 5.283 -13.630 3.270 1.00 0.00 C ATOM 109 C PRO A 10 5.288 -14.600 2.086 1.00 0.00 C ATOM 110 O PRO A 10 6.305 -15.230 1.800 1.00 0.00 O ATOM 111 CB PRO A 10 6.211 -12.443 3.070 1.00 0.00 C ATOM 112 CG PRO A 10 7.450 -12.737 3.901 1.00 0.00 C ATOM 113 CD PRO A 10 7.118 -13.884 4.842 1.00 0.00 C ATOM 0 HA PRO A 10 4.247 -13.300 3.351 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.467 -12.320 2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.735 -11.517 3.392 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.288 -13.002 3.256 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.749 -11.854 4.466 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.818 -14.711 4.721 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.173 -13.570 5.884 1.00 0.00 H new ATOM 121 N THR A 11 4.140 -14.688 1.431 1.00 0.00 N ATOM 122 CA THR A 11 3.999 -15.570 0.285 1.00 0.00 C ATOM 123 C THR A 11 3.093 -14.932 -0.771 1.00 0.00 C ATOM 124 O THR A 11 1.888 -14.801 -0.562 1.00 0.00 O ATOM 125 CB THR A 11 3.487 -16.921 0.788 1.00 0.00 C ATOM 126 OG1 THR A 11 3.317 -17.692 -0.399 1.00 0.00 O ATOM 127 CG2 THR A 11 2.079 -16.831 1.378 1.00 0.00 C ATOM 0 H THR A 11 3.299 -14.163 1.672 1.00 0.00 H new ATOM 0 HA THR A 11 4.957 -15.733 -0.209 1.00 0.00 H new ATOM 0 HB THR A 11 4.172 -17.311 1.541 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.988 -18.585 -0.165 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.764 -17.817 1.720 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.081 -16.139 2.220 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.387 -16.473 0.615 1.00 0.00 H new ATOM 135 N ARG A 12 3.709 -14.552 -1.881 1.00 0.00 N ATOM 136 CA ARG A 12 2.973 -13.931 -2.969 1.00 0.00 C ATOM 137 C ARG A 12 2.343 -12.618 -2.503 1.00 0.00 C ATOM 138 O ARG A 12 1.593 -12.597 -1.528 1.00 0.00 O ATOM 139 CB ARG A 12 1.874 -14.859 -3.491 1.00 0.00 C ATOM 140 CG ARG A 12 2.269 -15.476 -4.834 1.00 0.00 C ATOM 141 CD ARG A 12 1.181 -16.423 -5.344 1.00 0.00 C ATOM 142 NE ARG A 12 0.583 -15.885 -6.586 1.00 0.00 N ATOM 143 CZ ARG A 12 -0.435 -15.014 -6.614 1.00 0.00 C ATOM 144 NH1 ARG A 12 -0.975 -14.578 -5.468 1.00 0.00 N ATOM 145 NH2 ARG A 12 -0.913 -14.580 -7.788 1.00 0.00 N ATOM 0 H ARG A 12 4.709 -14.662 -2.050 1.00 0.00 H new ATOM 0 HA ARG A 12 3.679 -13.733 -3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.686 -15.650 -2.765 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.944 -14.301 -3.603 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.440 -14.686 -5.565 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.208 -16.019 -4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.605 -17.409 -5.532 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.410 -16.547 -4.584 1.00 0.00 H new ATOM 0 HE ARG A 12 0.970 -16.197 -7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.611 -14.909 -4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.750 -13.915 -5.489 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.502 -14.913 -8.660 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.688 -13.917 -7.809 1.00 0.00 H new ATOM 159 N ARG A 13 2.670 -11.553 -3.220 1.00 0.00 N ATOM 160 CA ARG A 13 2.146 -10.239 -2.892 1.00 0.00 C ATOM 161 C ARG A 13 2.535 -9.854 -1.463 1.00 0.00 C ATOM 162 O ARG A 13 2.835 -10.720 -0.643 1.00 0.00 O ATOM 163 CB ARG A 13 0.622 -10.205 -3.025 1.00 0.00 C ATOM 164 CG ARG A 13 0.187 -10.576 -4.444 1.00 0.00 C ATOM 165 CD ARG A 13 0.629 -9.511 -5.449 1.00 0.00 C ATOM 166 NE ARG A 13 1.500 -10.118 -6.480 1.00 0.00 N ATOM 167 CZ ARG A 13 1.053 -10.876 -7.490 1.00 0.00 C ATOM 168 NH1 ARG A 13 -0.258 -11.124 -7.612 1.00 0.00 N ATOM 169 NH2 ARG A 13 1.917 -11.385 -8.379 1.00 0.00 N ATOM 0 H ARG A 13 3.292 -11.574 -4.028 1.00 0.00 H new ATOM 0 HA ARG A 13 2.577 -9.525 -3.594 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.176 -10.897 -2.311 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.254 -9.210 -2.776 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.615 -11.540 -4.719 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.897 -10.686 -4.479 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.244 -9.058 -5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.163 -8.713 -4.934 1.00 0.00 H new ATOM 0 HE ARG A 13 2.504 -9.949 -6.418 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.916 -10.736 -6.936 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.598 -11.701 -8.381 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.915 -11.195 -8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.577 -11.962 -9.148 1.00 0.00 H new ATOM 183 N TRP A 14 2.518 -8.553 -1.209 1.00 0.00 N ATOM 184 CA TRP A 14 2.865 -8.043 0.106 1.00 0.00 C ATOM 185 C TRP A 14 1.799 -8.519 1.095 1.00 0.00 C ATOM 186 O TRP A 14 0.659 -8.772 0.709 1.00 0.00 O ATOM 187 CB TRP A 14 3.021 -6.522 0.081 1.00 0.00 C ATOM 188 CG TRP A 14 4.237 -6.033 -0.709 1.00 0.00 C ATOM 189 CD1 TRP A 14 5.515 -6.415 -0.576 1.00 0.00 C ATOM 190 CD2 TRP A 14 4.238 -5.051 -1.767 1.00 0.00 C ATOM 191 NE1 TRP A 14 6.335 -5.753 -1.466 1.00 0.00 N ATOM 192 CE2 TRP A 14 5.534 -4.898 -2.214 1.00 0.00 C ATOM 193 CE3 TRP A 14 3.178 -4.317 -2.327 1.00 0.00 C ATOM 194 CZ2 TRP A 14 5.892 -4.016 -3.241 1.00 0.00 C ATOM 195 CZ3 TRP A 14 3.551 -3.440 -3.353 1.00 0.00 C ATOM 196 CH2 TRP A 14 4.852 -3.274 -3.814 1.00 0.00 C ATOM 0 H TRP A 14 2.269 -7.837 -1.892 1.00 0.00 H new ATOM 0 HA TRP A 14 3.833 -8.429 0.426 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.121 -6.082 -0.348 1.00 0.00 H new ATOM 0 HB3 TRP A 14 3.096 -6.158 1.106 1.00 0.00 H new ATOM 0 HD1 TRP A 14 5.859 -7.149 0.138 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.344 -5.870 -1.558 1.00 0.00 H new ATOM 0 HE3 TRP A 14 2.156 -4.421 -1.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 6.915 -3.914 -3.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.774 -2.852 -3.818 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.060 -2.575 -4.611 1.00 0.00 H new ATOM 207 N ALA A 15 2.207 -8.625 2.351 1.00 0.00 N ATOM 208 CA ALA A 15 1.300 -9.066 3.397 1.00 0.00 C ATOM 209 C ALA A 15 0.900 -7.866 4.258 1.00 0.00 C ATOM 210 O ALA A 15 1.413 -6.764 4.070 1.00 0.00 O ATOM 211 CB ALA A 15 1.965 -10.174 4.216 1.00 0.00 C ATOM 0 H ALA A 15 3.153 -8.413 2.668 1.00 0.00 H new ATOM 0 HA ALA A 15 0.389 -9.481 2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.285 -10.505 5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.204 -11.015 3.565 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.881 -9.793 4.667 1.00 0.00 H new ATOM 217 N PRO A 16 -0.037 -8.127 5.208 1.00 0.00 N ATOM 218 CA PRO A 16 -0.512 -7.081 6.098 1.00 0.00 C ATOM 219 C PRO A 16 0.532 -6.755 7.168 1.00 0.00 C ATOM 220 O PRO A 16 0.884 -7.612 7.977 1.00 0.00 O ATOM 221 CB PRO A 16 -1.810 -7.619 6.679 1.00 0.00 C ATOM 222 CG PRO A 16 -1.776 -9.122 6.456 1.00 0.00 C ATOM 223 CD PRO A 16 -0.667 -9.420 5.460 1.00 0.00 C ATOM 0 HA PRO A 16 -0.683 -6.136 5.583 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.890 -7.383 7.740 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.673 -7.171 6.187 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.595 -9.643 7.396 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.735 -9.473 6.076 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.048 -10.136 5.866 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.065 -9.852 4.542 1.00 0.00 H new ATOM 231 N GLY A 17 0.997 -5.515 7.136 1.00 0.00 N ATOM 232 CA GLY A 17 1.994 -5.066 8.093 1.00 0.00 C ATOM 233 C GLY A 17 3.292 -4.669 7.387 1.00 0.00 C ATOM 234 O GLY A 17 4.187 -4.092 8.003 1.00 0.00 O ATOM 0 H GLY A 17 0.702 -4.808 6.463 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.607 -4.216 8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.195 -5.859 8.813 1.00 0.00 H new ATOM 238 N THR A 18 3.354 -4.995 6.104 1.00 0.00 N ATOM 239 CA THR A 18 4.528 -4.680 5.308 1.00 0.00 C ATOM 240 C THR A 18 4.559 -3.188 4.972 1.00 0.00 C ATOM 241 O THR A 18 3.523 -2.590 4.685 1.00 0.00 O ATOM 242 CB THR A 18 4.516 -5.581 4.072 1.00 0.00 C ATOM 243 OG1 THR A 18 4.969 -6.842 4.557 1.00 0.00 O ATOM 244 CG2 THR A 18 5.573 -5.177 3.042 1.00 0.00 C ATOM 0 H THR A 18 2.610 -5.474 5.596 1.00 0.00 H new ATOM 0 HA THR A 18 5.446 -4.876 5.862 1.00 0.00 H new ATOM 0 HB THR A 18 3.529 -5.550 3.611 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.990 -7.488 3.820 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.521 -5.849 2.185 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.388 -4.154 2.713 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.563 -5.240 3.493 1.00 0.00 H new ATOM 252 N GLN A 19 5.760 -2.629 5.018 1.00 0.00 N ATOM 253 CA GLN A 19 5.940 -1.218 4.722 1.00 0.00 C ATOM 254 C GLN A 19 6.207 -1.019 3.228 1.00 0.00 C ATOM 255 O GLN A 19 7.184 -1.541 2.694 1.00 0.00 O ATOM 256 CB GLN A 19 7.068 -0.620 5.565 1.00 0.00 C ATOM 257 CG GLN A 19 6.687 -0.585 7.046 1.00 0.00 C ATOM 258 CD GLN A 19 7.856 -0.093 7.902 1.00 0.00 C ATOM 259 OE1 GLN A 19 8.788 -0.820 8.202 1.00 0.00 O ATOM 260 NE2 GLN A 19 7.754 1.179 8.276 1.00 0.00 N ATOM 0 H GLN A 19 6.617 -3.128 5.256 1.00 0.00 H new ATOM 0 HA GLN A 19 5.021 -0.693 4.980 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.976 -1.208 5.433 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.289 0.390 5.219 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.827 0.069 7.188 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.387 -1.581 7.372 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.946 1.732 7.989 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.484 1.602 8.849 1.00 0.00 H new ATOM 269 N CYS A 20 5.321 -0.263 2.597 1.00 0.00 N ATOM 270 CA CYS A 20 5.448 0.012 1.176 1.00 0.00 C ATOM 271 C CYS A 20 5.667 1.515 0.994 1.00 0.00 C ATOM 272 O CYS A 20 5.244 2.313 1.829 1.00 0.00 O ATOM 273 CB CYS A 20 4.232 -0.486 0.392 1.00 0.00 C ATOM 274 SG CYS A 20 4.045 -2.294 0.610 1.00 0.00 S ATOM 0 H CYS A 20 4.512 0.168 3.044 1.00 0.00 H new ATOM 0 HA CYS A 20 6.304 -0.530 0.774 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.333 0.025 0.736 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.349 -0.249 -0.665 1.00 0.00 H new ATOM 0 HG CYS A 20 3.864 -2.854 -0.549 1.00 0.00 H new ATOM 280 N ILE A 21 6.329 1.856 -0.102 1.00 0.00 N ATOM 281 CA ILE A 21 6.609 3.250 -0.403 1.00 0.00 C ATOM 282 C ILE A 21 5.922 3.631 -1.716 1.00 0.00 C ATOM 283 O ILE A 21 5.786 2.801 -2.614 1.00 0.00 O ATOM 284 CB ILE A 21 8.118 3.505 -0.402 1.00 0.00 C ATOM 285 CG1 ILE A 21 8.793 2.791 0.771 1.00 0.00 C ATOM 286 CG2 ILE A 21 8.420 5.005 -0.411 1.00 0.00 C ATOM 287 CD1 ILE A 21 8.078 3.101 2.087 1.00 0.00 C ATOM 0 H ILE A 21 6.679 1.192 -0.792 1.00 0.00 H new ATOM 0 HA ILE A 21 6.199 3.898 0.372 1.00 0.00 H new ATOM 0 HB ILE A 21 8.537 3.087 -1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.790 1.715 0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.836 3.101 0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.499 5.159 -0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.990 5.457 -1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.987 5.469 0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.578 2.581 2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.104 4.175 2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 21 7.042 2.768 2.025 1.00 0.00 H new ATOM 299 N THR A 22 5.507 4.887 -1.787 1.00 0.00 N ATOM 300 CA THR A 22 4.837 5.389 -2.975 1.00 0.00 C ATOM 301 C THR A 22 5.863 5.775 -4.042 1.00 0.00 C ATOM 302 O THR A 22 6.813 6.504 -3.760 1.00 0.00 O ATOM 303 CB THR A 22 3.933 6.548 -2.553 1.00 0.00 C ATOM 304 OG1 THR A 22 4.760 7.346 -1.710 1.00 0.00 O ATOM 305 CG2 THR A 22 2.792 6.099 -1.639 1.00 0.00 C ATOM 0 H THR A 22 5.622 5.573 -1.041 1.00 0.00 H new ATOM 0 HA THR A 22 4.213 4.621 -3.432 1.00 0.00 H new ATOM 0 HB THR A 22 3.519 7.026 -3.441 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.271 8.151 -1.439 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.181 6.961 -1.369 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.176 5.366 -2.160 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.205 5.650 -0.736 1.00 0.00 H new ATOM 313 N LYS A 23 5.637 5.270 -5.245 1.00 0.00 N ATOM 314 CA LYS A 23 6.530 5.553 -6.356 1.00 0.00 C ATOM 315 C LYS A 23 6.250 6.962 -6.883 1.00 0.00 C ATOM 316 O LYS A 23 7.139 7.611 -7.432 1.00 0.00 O ATOM 317 CB LYS A 23 6.418 4.463 -7.424 1.00 0.00 C ATOM 318 CG LYS A 23 7.048 3.155 -6.941 1.00 0.00 C ATOM 319 CD LYS A 23 6.165 1.957 -7.297 1.00 0.00 C ATOM 320 CE LYS A 23 6.346 1.559 -8.763 1.00 0.00 C ATOM 321 NZ LYS A 23 6.450 0.088 -8.891 1.00 0.00 N ATOM 0 H LYS A 23 4.848 4.666 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 23 7.568 5.537 -6.025 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.369 4.296 -7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.912 4.793 -8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.032 3.033 -7.393 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.195 3.195 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.414 1.113 -6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.120 2.203 -7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.504 1.923 -9.351 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.243 2.029 -9.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.572 -0.166 -9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.268 -0.251 -8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.583 -0.354 -8.525 1.00 0.00 H new ATOM 335 N CYS A 24 5.011 7.393 -6.698 1.00 0.00 N ATOM 336 CA CYS A 24 4.603 8.713 -7.148 1.00 0.00 C ATOM 337 C CYS A 24 3.862 9.404 -6.002 1.00 0.00 C ATOM 338 O CYS A 24 3.639 8.804 -4.951 1.00 0.00 O ATOM 339 CB CYS A 24 3.750 8.640 -8.417 1.00 0.00 C ATOM 340 SG CYS A 24 4.793 8.173 -9.846 1.00 0.00 S ATOM 0 H CYS A 24 4.276 6.852 -6.243 1.00 0.00 H new ATOM 0 HA CYS A 24 5.484 9.297 -7.414 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.950 7.911 -8.286 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.275 9.604 -8.602 1.00 0.00 H new ATOM 0 HG CYS A 24 5.979 7.844 -9.428 1.00 0.00 H new ATOM 346 N GLU A 25 3.502 10.656 -6.242 1.00 0.00 N ATOM 347 CA GLU A 25 2.791 11.435 -5.242 1.00 0.00 C ATOM 348 C GLU A 25 1.340 11.657 -5.676 1.00 0.00 C ATOM 349 O GLU A 25 1.072 11.919 -6.847 1.00 0.00 O ATOM 350 CB GLU A 25 3.496 12.768 -4.983 1.00 0.00 C ATOM 351 CG GLU A 25 3.430 13.672 -6.215 1.00 0.00 C ATOM 352 CD GLU A 25 4.832 14.078 -6.674 1.00 0.00 C ATOM 353 OE1 GLU A 25 5.463 13.252 -7.369 1.00 0.00 O ATOM 354 OE2 GLU A 25 5.241 15.204 -6.319 1.00 0.00 O ATOM 0 H GLU A 25 3.689 11.151 -7.114 1.00 0.00 H new ATOM 0 HA GLU A 25 2.789 10.875 -4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.032 13.270 -4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.537 12.587 -4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.915 13.153 -7.024 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.846 14.564 -5.985 1.00 0.00 H new ATOM 361 N HIS A 26 0.443 11.545 -4.707 1.00 0.00 N ATOM 362 CA HIS A 26 -0.973 11.730 -4.973 1.00 0.00 C ATOM 363 C HIS A 26 -1.539 12.791 -4.027 1.00 0.00 C ATOM 364 O HIS A 26 -1.730 12.530 -2.840 1.00 0.00 O ATOM 365 CB HIS A 26 -1.721 10.398 -4.886 1.00 0.00 C ATOM 366 CG HIS A 26 -2.807 10.235 -5.923 1.00 0.00 C ATOM 367 ND1 HIS A 26 -2.706 10.753 -7.202 1.00 0.00 N ATOM 368 CD2 HIS A 26 -4.015 9.605 -5.857 1.00 0.00 C ATOM 369 CE1 HIS A 26 -3.810 10.445 -7.867 1.00 0.00 C ATOM 370 NE2 HIS A 26 -4.620 9.734 -7.031 1.00 0.00 N ATOM 0 H HIS A 26 0.670 11.328 -3.736 1.00 0.00 H new ATOM 0 HA HIS A 26 -1.111 12.091 -5.992 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -1.005 9.583 -4.993 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.163 10.305 -3.894 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -4.412 9.089 -4.995 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.030 10.710 -8.891 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -5.540 9.363 -7.269 1.00 0.00 H new ATOM 378 N THR A 27 -1.791 13.964 -4.588 1.00 0.00 N ATOM 379 CA THR A 27 -2.331 15.065 -3.809 1.00 0.00 C ATOM 380 C THR A 27 -3.859 15.072 -3.883 1.00 0.00 C ATOM 381 O THR A 27 -4.529 15.467 -2.929 1.00 0.00 O ATOM 382 CB THR A 27 -1.693 16.361 -4.315 1.00 0.00 C ATOM 383 OG1 THR A 27 -2.375 16.629 -5.537 1.00 0.00 O ATOM 384 CG2 THR A 27 -0.234 16.169 -4.737 1.00 0.00 C ATOM 0 H THR A 27 -1.631 14.176 -5.573 1.00 0.00 H new ATOM 0 HA THR A 27 -2.088 14.957 -2.752 1.00 0.00 H new ATOM 0 HB THR A 27 -1.749 17.122 -3.536 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.839 17.241 -6.084 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.171 17.118 -5.088 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.348 15.819 -3.885 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.181 15.433 -5.539 1.00 0.00 H new ATOM 392 N ARG A 28 -4.367 14.629 -5.024 1.00 0.00 N ATOM 393 CA ARG A 28 -5.803 14.579 -5.234 1.00 0.00 C ATOM 394 C ARG A 28 -6.219 13.193 -5.731 1.00 0.00 C ATOM 395 O ARG A 28 -6.228 12.937 -6.934 1.00 0.00 O ATOM 396 CB ARG A 28 -6.248 15.632 -6.251 1.00 0.00 C ATOM 397 CG ARG A 28 -6.028 17.045 -5.709 1.00 0.00 C ATOM 398 CD ARG A 28 -5.235 17.897 -6.704 1.00 0.00 C ATOM 399 NE ARG A 28 -4.252 18.735 -5.982 1.00 0.00 N ATOM 400 CZ ARG A 28 -3.366 19.540 -6.584 1.00 0.00 C ATOM 401 NH1 ARG A 28 -3.335 19.621 -7.921 1.00 0.00 N ATOM 402 NH2 ARG A 28 -2.511 20.264 -5.848 1.00 0.00 N ATOM 0 H ARG A 28 -3.809 14.301 -5.813 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.285 14.786 -4.279 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.691 15.504 -7.179 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.302 15.490 -6.489 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.991 17.515 -5.508 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.494 16.995 -4.760 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.721 17.253 -7.418 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.914 18.530 -7.276 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.249 18.697 -4.963 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.986 19.070 -8.481 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.661 20.234 -8.379 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.535 20.202 -4.830 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.836 20.877 -6.306 1.00 0.00 H new ATOM 416 N PRO A 29 -6.561 12.311 -4.754 1.00 0.00 N ATOM 417 CA PRO A 29 -6.976 10.957 -5.079 1.00 0.00 C ATOM 418 C PRO A 29 -8.399 10.940 -5.640 1.00 0.00 C ATOM 419 O PRO A 29 -9.056 11.978 -5.707 1.00 0.00 O ATOM 420 CB PRO A 29 -6.841 10.181 -3.779 1.00 0.00 C ATOM 421 CG PRO A 29 -6.803 11.223 -2.673 1.00 0.00 C ATOM 422 CD PRO A 29 -6.561 12.578 -3.318 1.00 0.00 C ATOM 0 HA PRO A 29 -6.365 10.506 -5.861 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.679 9.498 -3.643 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.934 9.577 -3.777 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -7.742 11.226 -2.119 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.012 10.993 -1.959 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.341 13.290 -3.048 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.612 13.006 -2.995 1.00 0.00 H new ATOM 430 N LYS A 30 -8.834 9.750 -6.030 1.00 0.00 N ATOM 431 CA LYS A 30 -10.167 9.585 -6.583 1.00 0.00 C ATOM 432 C LYS A 30 -11.205 9.899 -5.504 1.00 0.00 C ATOM 433 O LYS A 30 -10.852 10.158 -4.355 1.00 0.00 O ATOM 434 CB LYS A 30 -10.322 8.193 -7.199 1.00 0.00 C ATOM 435 CG LYS A 30 -10.559 8.284 -8.708 1.00 0.00 C ATOM 436 CD LYS A 30 -11.569 7.232 -9.169 1.00 0.00 C ATOM 437 CE LYS A 30 -10.911 6.209 -10.097 1.00 0.00 C ATOM 438 NZ LYS A 30 -11.753 4.998 -10.215 1.00 0.00 N ATOM 0 H LYS A 30 -8.286 8.891 -5.974 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.331 10.290 -7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.427 7.603 -7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.156 7.673 -6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.923 9.279 -8.963 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.616 8.144 -9.237 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.991 6.723 -8.302 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.396 7.719 -9.686 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.757 6.649 -11.082 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.928 5.939 -9.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.291 4.314 -10.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.879 4.570 -9.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.682 5.258 -10.604 1.00 0.00 H new ATOM 452 N PRO A 31 -12.498 9.865 -5.924 1.00 0.00 N ATOM 453 CA PRO A 31 -13.590 10.143 -5.006 1.00 0.00 C ATOM 454 C PRO A 31 -13.829 8.962 -4.063 1.00 0.00 C ATOM 455 O PRO A 31 -14.588 8.050 -4.386 1.00 0.00 O ATOM 456 CB PRO A 31 -14.785 10.444 -5.896 1.00 0.00 C ATOM 457 CG PRO A 31 -14.442 9.871 -7.262 1.00 0.00 C ATOM 458 CD PRO A 31 -12.954 9.563 -7.277 1.00 0.00 C ATOM 0 HA PRO A 31 -13.380 10.984 -4.345 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.692 9.989 -5.498 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -14.966 11.517 -5.957 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -15.021 8.967 -7.453 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -14.693 10.583 -8.049 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.768 8.520 -7.534 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -12.431 10.171 -8.016 1.00 0.00 H new ATOM 466 N GLY A 32 -13.166 9.018 -2.917 1.00 0.00 N ATOM 467 CA GLY A 32 -13.297 7.963 -1.926 1.00 0.00 C ATOM 468 C GLY A 32 -11.974 7.216 -1.743 1.00 0.00 C ATOM 469 O GLY A 32 -11.962 6.069 -1.298 1.00 0.00 O ATOM 0 H GLY A 32 -12.537 9.776 -2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.612 8.390 -0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.074 7.264 -2.234 1.00 0.00 H new ATOM 473 N GLU A 33 -10.893 7.896 -2.096 1.00 0.00 N ATOM 474 CA GLU A 33 -9.569 7.310 -1.977 1.00 0.00 C ATOM 475 C GLU A 33 -8.713 8.127 -1.006 1.00 0.00 C ATOM 476 O GLU A 33 -9.141 9.176 -0.527 1.00 0.00 O ATOM 477 CB GLU A 33 -8.893 7.200 -3.345 1.00 0.00 C ATOM 478 CG GLU A 33 -9.324 5.923 -4.068 1.00 0.00 C ATOM 479 CD GLU A 33 -8.422 5.643 -5.272 1.00 0.00 C ATOM 480 OE1 GLU A 33 -7.241 6.048 -5.202 1.00 0.00 O ATOM 481 OE2 GLU A 33 -8.933 5.030 -6.234 1.00 0.00 O ATOM 0 H GLU A 33 -10.907 8.847 -2.464 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.674 6.301 -1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.148 8.069 -3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.810 7.204 -3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.287 5.080 -3.378 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.358 6.019 -4.399 1.00 0.00 H new ATOM 488 N LEU A 34 -7.519 7.615 -0.746 1.00 0.00 N ATOM 489 CA LEU A 34 -6.600 8.284 0.159 1.00 0.00 C ATOM 490 C LEU A 34 -5.544 9.034 -0.656 1.00 0.00 C ATOM 491 O LEU A 34 -5.290 8.695 -1.811 1.00 0.00 O ATOM 492 CB LEU A 34 -6.010 7.286 1.158 1.00 0.00 C ATOM 493 CG LEU A 34 -4.640 7.647 1.737 1.00 0.00 C ATOM 494 CD1 LEU A 34 -4.774 8.676 2.861 1.00 0.00 C ATOM 495 CD2 LEU A 34 -3.892 6.393 2.194 1.00 0.00 C ATOM 0 H LEU A 34 -7.167 6.745 -1.146 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.128 9.026 0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.712 7.170 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.931 6.315 0.668 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.045 8.108 0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.786 8.915 3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.238 9.582 2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.393 8.265 3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.922 6.676 2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.473 5.882 2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.748 5.725 1.344 1.00 0.00 H new ATOM 507 N ALA A 35 -4.958 10.040 -0.023 1.00 0.00 N ATOM 508 CA ALA A 35 -3.936 10.840 -0.675 1.00 0.00 C ATOM 509 C ALA A 35 -2.583 10.570 -0.014 1.00 0.00 C ATOM 510 O ALA A 35 -2.526 10.074 1.110 1.00 0.00 O ATOM 511 CB ALA A 35 -4.329 12.318 -0.615 1.00 0.00 C ATOM 0 H ALA A 35 -5.172 10.319 0.935 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.849 10.568 -1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.562 12.919 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.282 12.462 -1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.423 12.628 0.426 1.00 0.00 H new ATOM 517 N PHE A 36 -1.527 10.907 -0.740 1.00 0.00 N ATOM 518 CA PHE A 36 -0.179 10.707 -0.238 1.00 0.00 C ATOM 519 C PHE A 36 0.850 11.389 -1.142 1.00 0.00 C ATOM 520 O PHE A 36 0.498 11.934 -2.187 1.00 0.00 O ATOM 521 CB PHE A 36 0.080 9.199 -0.240 1.00 0.00 C ATOM 522 CG PHE A 36 -0.077 8.542 -1.613 1.00 0.00 C ATOM 523 CD1 PHE A 36 0.913 8.658 -2.539 1.00 0.00 C ATOM 524 CD2 PHE A 36 -1.205 7.842 -1.907 1.00 0.00 C ATOM 525 CE1 PHE A 36 0.767 8.049 -3.813 1.00 0.00 C ATOM 526 CE2 PHE A 36 -1.350 7.233 -3.182 1.00 0.00 C ATOM 527 CZ PHE A 36 -0.361 7.349 -4.108 1.00 0.00 C ATOM 0 H PHE A 36 -1.578 11.317 -1.672 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.087 11.135 0.760 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.090 9.014 0.127 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.606 8.722 0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.809 9.213 -2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.990 7.749 -1.171 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.552 8.142 -4.549 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.246 6.678 -3.416 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.471 6.885 -5.077 1.00 0.00 H new ATOM 537 N ARG A 37 2.100 11.337 -0.707 1.00 0.00 N ATOM 538 CA ARG A 37 3.182 11.943 -1.463 1.00 0.00 C ATOM 539 C ARG A 37 4.148 10.867 -1.963 1.00 0.00 C ATOM 540 O ARG A 37 3.972 9.686 -1.671 1.00 0.00 O ATOM 541 CB ARG A 37 3.952 12.954 -0.611 1.00 0.00 C ATOM 542 CG ARG A 37 3.169 14.260 -0.468 1.00 0.00 C ATOM 543 CD ARG A 37 3.354 15.148 -1.700 1.00 0.00 C ATOM 544 NE ARG A 37 2.375 16.258 -1.676 1.00 0.00 N ATOM 545 CZ ARG A 37 2.439 17.333 -2.473 1.00 0.00 C ATOM 546 NH1 ARG A 37 3.434 17.449 -3.363 1.00 0.00 N ATOM 547 NH2 ARG A 37 1.507 18.291 -2.382 1.00 0.00 N ATOM 0 H ARG A 37 2.388 10.884 0.160 1.00 0.00 H new ATOM 0 HA ARG A 37 2.741 12.464 -2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.145 12.532 0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.922 13.155 -1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.110 14.040 -0.329 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.503 14.793 0.422 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.368 15.547 -1.722 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.224 14.557 -2.607 1.00 0.00 H new ATOM 0 HE ARG A 37 1.604 16.201 -1.011 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.143 16.719 -3.434 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.483 18.267 -3.970 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.749 18.202 -1.706 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.556 19.109 -2.989 1.00 0.00 H new ATOM 561 N LYS A 38 5.148 11.315 -2.709 1.00 0.00 N ATOM 562 CA LYS A 38 6.142 10.405 -3.252 1.00 0.00 C ATOM 563 C LYS A 38 7.181 10.089 -2.174 1.00 0.00 C ATOM 564 O LYS A 38 7.907 10.975 -1.727 1.00 0.00 O ATOM 565 CB LYS A 38 6.745 10.976 -4.538 1.00 0.00 C ATOM 566 CG LYS A 38 7.666 9.956 -5.211 1.00 0.00 C ATOM 567 CD LYS A 38 8.750 10.656 -6.033 1.00 0.00 C ATOM 568 CE LYS A 38 9.496 9.657 -6.920 1.00 0.00 C ATOM 569 NZ LYS A 38 9.150 9.869 -8.343 1.00 0.00 N ATOM 0 H LYS A 38 5.291 12.296 -2.950 1.00 0.00 H new ATOM 0 HA LYS A 38 5.679 9.460 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.947 11.259 -5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.305 11.883 -4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.130 9.324 -4.454 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.080 9.302 -5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.298 11.431 -6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.455 11.152 -5.365 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.571 9.770 -6.780 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.241 8.639 -6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.665 9.183 -8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.127 9.739 -8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.415 10.834 -8.625 1.00 0.00 H new ATOM 583 N GLY A 39 7.218 8.822 -1.787 1.00 0.00 N ATOM 584 CA GLY A 39 8.155 8.377 -0.770 1.00 0.00 C ATOM 585 C GLY A 39 7.515 8.415 0.619 1.00 0.00 C ATOM 586 O GLY A 39 8.125 8.892 1.575 1.00 0.00 O ATOM 0 H GLY A 39 6.614 8.090 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.486 7.363 -0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.041 9.012 -0.784 1.00 0.00 H new ATOM 590 N ASP A 40 6.294 7.904 0.687 1.00 0.00 N ATOM 591 CA ASP A 40 5.565 7.873 1.943 1.00 0.00 C ATOM 592 C ASP A 40 5.535 6.439 2.475 1.00 0.00 C ATOM 593 O ASP A 40 5.378 5.492 1.707 1.00 0.00 O ATOM 594 CB ASP A 40 4.120 8.338 1.753 1.00 0.00 C ATOM 595 CG ASP A 40 3.847 9.786 2.164 1.00 0.00 C ATOM 596 OD1 ASP A 40 4.108 10.100 3.345 1.00 0.00 O ATOM 597 OD2 ASP A 40 3.382 10.547 1.288 1.00 0.00 O ATOM 0 H ASP A 40 5.792 7.508 -0.108 1.00 0.00 H new ATOM 0 HA ASP A 40 6.069 8.540 2.642 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.850 8.217 0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.465 7.683 2.328 1.00 0.00 H new ATOM 602 N VAL A 41 5.687 6.325 3.786 1.00 0.00 N ATOM 603 CA VAL A 41 5.679 5.022 4.430 1.00 0.00 C ATOM 604 C VAL A 41 4.255 4.689 4.880 1.00 0.00 C ATOM 605 O VAL A 41 3.590 5.513 5.506 1.00 0.00 O ATOM 606 CB VAL A 41 6.690 4.999 5.578 1.00 0.00 C ATOM 607 CG1 VAL A 41 6.532 3.733 6.423 1.00 0.00 C ATOM 608 CG2 VAL A 41 8.121 5.133 5.053 1.00 0.00 C ATOM 0 H VAL A 41 5.816 7.113 4.420 1.00 0.00 H new ATOM 0 HA VAL A 41 5.988 4.247 3.728 1.00 0.00 H new ATOM 0 HB VAL A 41 6.487 5.857 6.219 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.263 3.742 7.232 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.527 3.699 6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.694 2.855 5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.819 5.114 5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.340 4.305 4.379 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.225 6.076 4.516 1.00 0.00 H new ATOM 618 N VAL A 42 3.830 3.480 4.543 1.00 0.00 N ATOM 619 CA VAL A 42 2.497 3.028 4.904 1.00 0.00 C ATOM 620 C VAL A 42 2.567 1.574 5.375 1.00 0.00 C ATOM 621 O VAL A 42 3.620 0.944 5.302 1.00 0.00 O ATOM 622 CB VAL A 42 1.539 3.231 3.729 1.00 0.00 C ATOM 623 CG1 VAL A 42 1.289 4.719 3.475 1.00 0.00 C ATOM 624 CG2 VAL A 42 2.064 2.541 2.468 1.00 0.00 C ATOM 0 H VAL A 42 4.385 2.800 4.024 1.00 0.00 H new ATOM 0 HA VAL A 42 2.104 3.619 5.731 1.00 0.00 H new ATOM 0 HB VAL A 42 0.586 2.771 3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.605 4.835 2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.851 5.171 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.233 5.212 3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.364 2.701 1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.035 2.958 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.167 1.472 2.654 1.00 0.00 H new ATOM 634 N THR A 43 1.431 1.084 5.849 1.00 0.00 N ATOM 635 CA THR A 43 1.349 -0.284 6.332 1.00 0.00 C ATOM 636 C THR A 43 0.162 -1.005 5.692 1.00 0.00 C ATOM 637 O THR A 43 -0.946 -0.473 5.655 1.00 0.00 O ATOM 638 CB THR A 43 1.283 -0.242 7.860 1.00 0.00 C ATOM 639 OG1 THR A 43 2.572 0.223 8.251 1.00 0.00 O ATOM 640 CG2 THR A 43 1.187 -1.638 8.480 1.00 0.00 C ATOM 0 H THR A 43 0.559 1.610 5.909 1.00 0.00 H new ATOM 0 HA THR A 43 2.230 -0.858 6.046 1.00 0.00 H new ATOM 0 HB THR A 43 0.424 0.353 8.170 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.616 0.282 9.228 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.143 -1.552 9.566 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.287 -2.135 8.119 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.063 -2.222 8.198 1.00 0.00 H new ATOM 648 N ILE A 44 0.434 -2.207 5.204 1.00 0.00 N ATOM 649 CA ILE A 44 -0.598 -3.007 4.567 1.00 0.00 C ATOM 650 C ILE A 44 -1.605 -3.467 5.623 1.00 0.00 C ATOM 651 O ILE A 44 -1.281 -4.291 6.477 1.00 0.00 O ATOM 652 CB ILE A 44 0.029 -4.155 3.773 1.00 0.00 C ATOM 653 CG1 ILE A 44 0.930 -3.623 2.657 1.00 0.00 C ATOM 654 CG2 ILE A 44 -1.047 -5.103 3.238 1.00 0.00 C ATOM 655 CD1 ILE A 44 0.099 -3.087 1.490 1.00 0.00 C ATOM 0 H ILE A 44 1.354 -2.646 5.237 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.149 -2.410 3.840 1.00 0.00 H new ATOM 0 HB ILE A 44 0.661 -4.732 4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.569 -2.831 3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.587 -4.418 2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.575 -5.910 2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.610 -5.522 4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.723 -4.553 2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.764 -2.715 0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.521 -3.888 1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.539 -2.276 1.840 1.00 0.00 H new ATOM 667 N LEU A 45 -2.805 -2.915 5.530 1.00 0.00 N ATOM 668 CA LEU A 45 -3.862 -3.258 6.467 1.00 0.00 C ATOM 669 C LEU A 45 -4.501 -4.582 6.045 1.00 0.00 C ATOM 670 O LEU A 45 -4.555 -5.527 6.831 1.00 0.00 O ATOM 671 CB LEU A 45 -4.860 -2.106 6.593 1.00 0.00 C ATOM 672 CG LEU A 45 -4.274 -0.751 6.995 1.00 0.00 C ATOM 673 CD1 LEU A 45 -5.294 0.371 6.789 1.00 0.00 C ATOM 674 CD2 LEU A 45 -3.744 -0.786 8.430 1.00 0.00 C ATOM 0 H LEU A 45 -3.070 -2.232 4.820 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.453 -3.405 7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.372 -1.989 5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.616 -2.385 7.327 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.426 -0.540 6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.852 1.323 7.082 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.582 0.413 5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.176 0.177 7.399 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.333 0.190 8.690 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.558 -1.031 9.113 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.963 -1.542 8.511 1.00 0.00 H new ATOM 686 N GLU A 46 -4.968 -4.609 4.805 1.00 0.00 N ATOM 687 CA GLU A 46 -5.601 -5.802 4.270 1.00 0.00 C ATOM 688 C GLU A 46 -5.333 -5.917 2.768 1.00 0.00 C ATOM 689 O GLU A 46 -5.501 -4.949 2.028 1.00 0.00 O ATOM 690 CB GLU A 46 -7.104 -5.803 4.560 1.00 0.00 C ATOM 691 CG GLU A 46 -7.483 -6.960 5.486 1.00 0.00 C ATOM 692 CD GLU A 46 -8.984 -7.250 5.415 1.00 0.00 C ATOM 693 OE1 GLU A 46 -9.741 -6.480 6.046 1.00 0.00 O ATOM 694 OE2 GLU A 46 -9.340 -8.234 4.732 1.00 0.00 O ATOM 0 H GLU A 46 -4.920 -3.824 4.156 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.168 -6.672 4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.390 -4.857 5.019 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.658 -5.884 3.625 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.923 -7.852 5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.204 -6.716 6.511 1.00 0.00 H new ATOM 701 N ALA A 47 -4.919 -7.109 2.363 1.00 0.00 N ATOM 702 CA ALA A 47 -4.625 -7.363 0.963 1.00 0.00 C ATOM 703 C ALA A 47 -5.897 -7.839 0.258 1.00 0.00 C ATOM 704 O ALA A 47 -6.750 -8.477 0.873 1.00 0.00 O ATOM 705 CB ALA A 47 -3.484 -8.376 0.856 1.00 0.00 C ATOM 0 H ALA A 47 -4.780 -7.909 2.980 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.296 -6.449 0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.264 -8.566 -0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.596 -7.977 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.778 -9.308 1.340 1.00 0.00 H new ATOM 711 N CYS A 48 -5.983 -7.512 -1.023 1.00 0.00 N ATOM 712 CA CYS A 48 -7.136 -7.899 -1.819 1.00 0.00 C ATOM 713 C CYS A 48 -8.211 -6.822 -1.662 1.00 0.00 C ATOM 714 O CYS A 48 -8.950 -6.816 -0.678 1.00 0.00 O ATOM 715 CB CYS A 48 -7.654 -9.284 -1.427 1.00 0.00 C ATOM 716 SG CYS A 48 -8.303 -10.150 -2.902 1.00 0.00 S ATOM 0 H CYS A 48 -5.273 -6.983 -1.530 1.00 0.00 H new ATOM 0 HA CYS A 48 -6.849 -7.974 -2.868 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.851 -9.868 -0.977 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -8.439 -9.189 -0.676 1.00 0.00 H new ATOM 0 HG CYS A 48 -8.738 -11.326 -2.558 1.00 0.00 H new ATOM 722 N GLU A 49 -8.265 -5.937 -2.646 1.00 0.00 N ATOM 723 CA GLU A 49 -9.237 -4.857 -2.629 1.00 0.00 C ATOM 724 C GLU A 49 -9.704 -4.542 -4.052 1.00 0.00 C ATOM 725 O GLU A 49 -9.519 -3.426 -4.537 1.00 0.00 O ATOM 726 CB GLU A 49 -8.663 -3.612 -1.952 1.00 0.00 C ATOM 727 CG GLU A 49 -8.862 -3.671 -0.436 1.00 0.00 C ATOM 728 CD GLU A 49 -7.725 -4.443 0.237 1.00 0.00 C ATOM 729 OE1 GLU A 49 -6.776 -4.804 -0.492 1.00 0.00 O ATOM 730 OE2 GLU A 49 -7.831 -4.654 1.464 1.00 0.00 O ATOM 0 H GLU A 49 -7.651 -5.946 -3.461 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.100 -5.180 -2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.600 -3.527 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.147 -2.721 -2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.908 -2.660 -0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.815 -4.149 -0.209 1.00 0.00 H new ATOM 737 N ASN A 50 -10.301 -5.544 -4.681 1.00 0.00 N ATOM 738 CA ASN A 50 -10.795 -5.387 -6.038 1.00 0.00 C ATOM 739 C ASN A 50 -9.637 -5.562 -7.022 1.00 0.00 C ATOM 740 O ASN A 50 -9.711 -5.103 -8.161 1.00 0.00 O ATOM 741 CB ASN A 50 -11.390 -3.993 -6.250 1.00 0.00 C ATOM 742 CG ASN A 50 -12.636 -4.057 -7.135 1.00 0.00 C ATOM 743 OD1 ASN A 50 -12.563 -4.111 -8.352 1.00 0.00 O ATOM 744 ND2 ASN A 50 -13.781 -4.048 -6.459 1.00 0.00 N ATOM 0 H ASN A 50 -10.454 -6.467 -4.276 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.568 -6.138 -6.204 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.646 -3.553 -5.286 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.646 -3.342 -6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -14.669 -4.088 -6.959 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.771 -4.001 -5.440 1.00 0.00 H new ATOM 751 N LYS A 51 -8.594 -6.226 -6.546 1.00 0.00 N ATOM 752 CA LYS A 51 -7.421 -6.467 -7.370 1.00 0.00 C ATOM 753 C LYS A 51 -6.761 -5.130 -7.713 1.00 0.00 C ATOM 754 O LYS A 51 -7.430 -4.100 -7.772 1.00 0.00 O ATOM 755 CB LYS A 51 -7.791 -7.303 -8.597 1.00 0.00 C ATOM 756 CG LYS A 51 -8.406 -8.641 -8.184 1.00 0.00 C ATOM 757 CD LYS A 51 -9.221 -9.247 -9.328 1.00 0.00 C ATOM 758 CE LYS A 51 -9.321 -10.767 -9.185 1.00 0.00 C ATOM 759 NZ LYS A 51 -8.294 -11.435 -10.015 1.00 0.00 N ATOM 0 H LYS A 51 -8.536 -6.605 -5.601 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.685 -7.055 -6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.496 -6.751 -9.218 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.902 -7.479 -9.203 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.617 -9.332 -7.889 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.046 -8.498 -7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.221 -8.813 -9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.756 -8.998 -10.282 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.192 -11.049 -8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.314 -11.102 -9.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.376 -12.466 -9.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.435 -11.180 -11.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.348 -11.129 -9.710 1.00 0.00 H new ATOM 773 N SER A 52 -5.455 -5.190 -7.930 1.00 0.00 N ATOM 774 CA SER A 52 -4.697 -3.997 -8.265 1.00 0.00 C ATOM 775 C SER A 52 -5.072 -2.855 -7.319 1.00 0.00 C ATOM 776 O SER A 52 -5.291 -1.727 -7.758 1.00 0.00 O ATOM 777 CB SER A 52 -4.936 -3.583 -9.719 1.00 0.00 C ATOM 778 OG SER A 52 -3.852 -2.819 -10.241 1.00 0.00 O ATOM 0 H SER A 52 -4.903 -6.046 -7.880 1.00 0.00 H new ATOM 0 HA SER A 52 -3.637 -4.222 -8.149 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.080 -4.474 -10.331 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.855 -3.000 -9.784 1.00 0.00 H new ATOM 0 HG SER A 52 -4.042 -2.575 -11.171 1.00 0.00 H new ATOM 784 N TRP A 53 -5.135 -3.187 -6.038 1.00 0.00 N ATOM 785 CA TRP A 53 -5.481 -2.203 -5.026 1.00 0.00 C ATOM 786 C TRP A 53 -5.067 -2.761 -3.663 1.00 0.00 C ATOM 787 O TRP A 53 -5.209 -3.957 -3.409 1.00 0.00 O ATOM 788 CB TRP A 53 -6.966 -1.840 -5.098 1.00 0.00 C ATOM 789 CG TRP A 53 -7.305 -0.819 -6.186 1.00 0.00 C ATOM 790 CD1 TRP A 53 -7.893 -1.040 -7.370 1.00 0.00 C ATOM 791 CD2 TRP A 53 -7.051 0.601 -6.142 1.00 0.00 C ATOM 792 NE1 TRP A 53 -8.036 0.129 -8.089 1.00 0.00 N ATOM 793 CE2 TRP A 53 -7.508 1.159 -7.318 1.00 0.00 C ATOM 794 CE3 TRP A 53 -6.455 1.388 -5.140 1.00 0.00 C ATOM 795 CZ2 TRP A 53 -7.416 2.526 -7.604 1.00 0.00 C ATOM 796 CZ3 TRP A 53 -6.371 2.752 -5.441 1.00 0.00 C ATOM 797 CH2 TRP A 53 -6.826 3.330 -6.621 1.00 0.00 C ATOM 0 H TRP A 53 -4.952 -4.124 -5.678 1.00 0.00 H new ATOM 0 HA TRP A 53 -4.945 -1.269 -5.197 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.543 -2.748 -5.273 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.280 -1.444 -4.132 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -8.214 -2.011 -7.718 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -8.452 0.221 -9.016 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.091 0.972 -4.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.781 2.939 -8.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.921 3.402 -4.705 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.725 4.394 -6.779 1.00 0.00 H new ATOM 808 N TYR A 54 -4.564 -1.870 -2.822 1.00 0.00 N ATOM 809 CA TYR A 54 -4.129 -2.259 -1.491 1.00 0.00 C ATOM 810 C TYR A 54 -4.496 -1.190 -0.460 1.00 0.00 C ATOM 811 O TYR A 54 -4.173 -0.016 -0.636 1.00 0.00 O ATOM 812 CB TYR A 54 -2.605 -2.379 -1.564 1.00 0.00 C ATOM 813 CG TYR A 54 -2.112 -3.732 -2.079 1.00 0.00 C ATOM 814 CD1 TYR A 54 -2.201 -4.851 -1.275 1.00 0.00 C ATOM 815 CD2 TYR A 54 -1.578 -3.835 -3.347 1.00 0.00 C ATOM 816 CE1 TYR A 54 -1.736 -6.125 -1.760 1.00 0.00 C ATOM 817 CE2 TYR A 54 -1.113 -5.109 -3.832 1.00 0.00 C ATOM 818 CZ TYR A 54 -1.215 -6.191 -3.014 1.00 0.00 C ATOM 819 OH TYR A 54 -0.777 -7.394 -3.472 1.00 0.00 O ATOM 0 H TYR A 54 -4.448 -0.880 -3.036 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.608 -3.190 -1.187 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.219 -1.592 -2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.189 -2.206 -0.571 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.619 -4.771 -0.283 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.509 -2.960 -3.976 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.800 -7.008 -1.141 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.693 -5.203 -4.823 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.657 -7.350 -4.444 1.00 0.00 H new ATOM 829 N ARG A 55 -5.165 -1.634 0.594 1.00 0.00 N ATOM 830 CA ARG A 55 -5.579 -0.730 1.653 1.00 0.00 C ATOM 831 C ARG A 55 -4.493 -0.639 2.728 1.00 0.00 C ATOM 832 O ARG A 55 -4.290 -1.582 3.491 1.00 0.00 O ATOM 833 CB ARG A 55 -6.886 -1.197 2.296 1.00 0.00 C ATOM 834 CG ARG A 55 -7.398 -0.169 3.307 1.00 0.00 C ATOM 835 CD ARG A 55 -8.831 -0.489 3.736 1.00 0.00 C ATOM 836 NE ARG A 55 -9.500 0.739 4.221 1.00 0.00 N ATOM 837 CZ ARG A 55 -10.756 0.777 4.687 1.00 0.00 C ATOM 838 NH1 ARG A 55 -11.487 -0.345 4.733 1.00 0.00 N ATOM 839 NH2 ARG A 55 -11.281 1.936 5.106 1.00 0.00 N ATOM 0 H ARG A 55 -5.431 -2.608 0.737 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.737 0.252 1.208 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.638 -1.358 1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.729 -2.154 2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.747 -0.158 4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.360 0.828 2.868 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.386 -0.908 2.896 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.824 -1.244 4.522 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.972 1.611 4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.087 -1.227 4.413 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.443 -0.317 5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.725 2.790 5.070 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.237 1.964 5.461 1.00 0.00 H new ATOM 853 N VAL A 56 -3.825 0.505 2.753 1.00 0.00 N ATOM 854 CA VAL A 56 -2.765 0.731 3.721 1.00 0.00 C ATOM 855 C VAL A 56 -3.154 1.897 4.632 1.00 0.00 C ATOM 856 O VAL A 56 -4.189 2.529 4.430 1.00 0.00 O ATOM 857 CB VAL A 56 -1.435 0.955 2.999 1.00 0.00 C ATOM 858 CG1 VAL A 56 -1.187 -0.137 1.956 1.00 0.00 C ATOM 859 CG2 VAL A 56 -1.384 2.344 2.361 1.00 0.00 C ATOM 0 H VAL A 56 -3.997 1.285 2.119 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.632 -0.147 4.353 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.638 0.898 3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.235 0.046 1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.158 -1.110 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.991 -0.126 1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.428 2.477 1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.194 2.443 1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.493 3.104 3.135 1.00 0.00 H new ATOM 869 N LYS A 57 -2.303 2.146 5.617 1.00 0.00 N ATOM 870 CA LYS A 57 -2.544 3.224 6.560 1.00 0.00 C ATOM 871 C LYS A 57 -1.417 4.253 6.451 1.00 0.00 C ATOM 872 O LYS A 57 -0.242 3.907 6.565 1.00 0.00 O ATOM 873 CB LYS A 57 -2.734 2.668 7.973 1.00 0.00 C ATOM 874 CG LYS A 57 -3.187 3.766 8.938 1.00 0.00 C ATOM 875 CD LYS A 57 -2.605 3.541 10.335 1.00 0.00 C ATOM 876 CE LYS A 57 -1.755 4.735 10.773 1.00 0.00 C ATOM 877 NZ LYS A 57 -1.882 4.955 12.231 1.00 0.00 N ATOM 0 H LYS A 57 -1.445 1.619 5.782 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.473 3.741 6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.472 1.866 7.956 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.799 2.232 8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.872 4.739 8.561 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.276 3.782 8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.414 3.384 11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.997 2.636 10.338 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.711 4.559 10.515 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.070 5.630 10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.299 5.769 12.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.877 5.144 12.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.560 4.107 12.739 1.00 0.00 H new ATOM 891 N HIS A 58 -1.815 5.498 6.231 1.00 0.00 N ATOM 892 CA HIS A 58 -0.853 6.579 6.105 1.00 0.00 C ATOM 893 C HIS A 58 -0.303 6.941 7.487 1.00 0.00 C ATOM 894 O HIS A 58 -1.064 7.281 8.392 1.00 0.00 O ATOM 895 CB HIS A 58 -1.473 7.777 5.382 1.00 0.00 C ATOM 896 CG HIS A 58 -0.486 8.582 4.570 1.00 0.00 C ATOM 897 ND1 HIS A 58 0.394 9.485 5.141 1.00 0.00 N ATOM 898 CD2 HIS A 58 -0.249 8.609 3.227 1.00 0.00 C ATOM 899 CE1 HIS A 58 1.121 10.027 4.175 1.00 0.00 C ATOM 900 NE2 HIS A 58 0.721 9.483 2.990 1.00 0.00 N ATOM 0 H HIS A 58 -2.790 5.782 6.137 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.013 6.253 5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.265 7.421 4.723 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -1.941 8.431 6.118 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -0.763 8.019 2.483 1.00 0.00 H new ATOM 0 HE1 HIS A 58 1.895 10.769 4.303 1.00 0.00 H new ATOM 0 HE2 HIS A 58 1.104 9.711 2.073 1.00 0.00 H new ATOM 908 N HIS A 59 1.013 6.856 7.605 1.00 0.00 N ATOM 909 CA HIS A 59 1.673 7.170 8.861 1.00 0.00 C ATOM 910 C HIS A 59 1.394 8.626 9.238 1.00 0.00 C ATOM 911 O HIS A 59 0.663 8.896 10.189 1.00 0.00 O ATOM 912 CB HIS A 59 3.168 6.854 8.783 1.00 0.00 C ATOM 913 CG HIS A 59 3.547 5.522 9.385 1.00 0.00 C ATOM 914 ND1 HIS A 59 2.828 4.362 9.152 1.00 0.00 N ATOM 915 CD2 HIS A 59 4.575 5.177 10.212 1.00 0.00 C ATOM 916 CE1 HIS A 59 3.406 3.371 9.814 1.00 0.00 C ATOM 917 NE2 HIS A 59 4.488 3.878 10.471 1.00 0.00 N ATOM 0 H HIS A 59 1.641 6.574 6.852 1.00 0.00 H new ATOM 0 HA HIS A 59 1.269 6.542 9.655 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.478 6.870 7.738 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.722 7.642 9.292 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.332 5.847 10.592 1.00 0.00 H new ATOM 0 HE1 HIS A 59 3.078 2.342 9.831 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.126 3.347 11.064 1.00 0.00 H new ATOM 925 N THR A 60 1.992 9.527 8.471 1.00 0.00 N ATOM 926 CA THR A 60 1.817 10.949 8.712 1.00 0.00 C ATOM 927 C THR A 60 0.329 11.295 8.806 1.00 0.00 C ATOM 928 O THR A 60 -0.146 11.726 9.856 1.00 0.00 O ATOM 929 CB THR A 60 2.548 11.710 7.605 1.00 0.00 C ATOM 930 OG1 THR A 60 3.911 11.705 8.021 1.00 0.00 O ATOM 931 CG2 THR A 60 2.175 13.193 7.568 1.00 0.00 C ATOM 0 H THR A 60 2.598 9.299 7.683 1.00 0.00 H new ATOM 0 HA THR A 60 2.249 11.244 9.669 1.00 0.00 H new ATOM 0 HB THR A 60 2.320 11.255 6.641 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.457 12.177 7.358 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.722 13.686 6.764 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.104 13.295 7.393 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.433 13.657 8.520 1.00 0.00 H new ATOM 939 N SER A 61 -0.364 11.093 7.696 1.00 0.00 N ATOM 940 CA SER A 61 -1.788 11.377 7.640 1.00 0.00 C ATOM 941 C SER A 61 -2.508 10.673 8.792 1.00 0.00 C ATOM 942 O SER A 61 -3.082 11.327 9.662 1.00 0.00 O ATOM 943 CB SER A 61 -2.384 10.946 6.298 1.00 0.00 C ATOM 944 OG SER A 61 -2.806 12.061 5.518 1.00 0.00 O ATOM 0 H SER A 61 0.034 10.736 6.827 1.00 0.00 H new ATOM 0 HA SER A 61 -1.926 12.454 7.738 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.644 10.373 5.740 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.233 10.285 6.474 1.00 0.00 H new ATOM 0 HG SER A 61 -3.030 11.761 4.612 1.00 0.00 H new ATOM 950 N GLY A 62 -2.455 9.350 8.760 1.00 0.00 N ATOM 951 CA GLY A 62 -3.095 8.550 9.790 1.00 0.00 C ATOM 952 C GLY A 62 -4.469 8.060 9.330 1.00 0.00 C ATOM 953 O GLY A 62 -5.253 7.556 10.132 1.00 0.00 O ATOM 0 H GLY A 62 -1.978 8.812 8.037 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.464 7.696 10.036 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.202 9.140 10.700 1.00 0.00 H new ATOM 957 N GLN A 63 -4.719 8.226 8.039 1.00 0.00 N ATOM 958 CA GLN A 63 -5.985 7.807 7.462 1.00 0.00 C ATOM 959 C GLN A 63 -5.840 6.431 6.808 1.00 0.00 C ATOM 960 O GLN A 63 -4.755 5.853 6.803 1.00 0.00 O ATOM 961 CB GLN A 63 -6.498 8.840 6.458 1.00 0.00 C ATOM 962 CG GLN A 63 -6.339 10.261 7.003 1.00 0.00 C ATOM 963 CD GLN A 63 -6.489 11.296 5.886 1.00 0.00 C ATOM 964 OE1 GLN A 63 -7.538 11.448 5.282 1.00 0.00 O ATOM 965 NE2 GLN A 63 -5.385 11.998 5.647 1.00 0.00 N ATOM 0 H GLN A 63 -4.066 8.645 7.377 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.720 7.731 8.263 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.951 8.743 5.520 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.548 8.647 6.237 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.086 10.444 7.776 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.361 10.367 7.473 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.540 11.820 6.190 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.383 12.714 4.921 1.00 0.00 H new ATOM 974 N GLU A 64 -6.951 5.947 6.271 1.00 0.00 N ATOM 975 CA GLU A 64 -6.962 4.650 5.616 1.00 0.00 C ATOM 976 C GLU A 64 -7.748 4.724 4.306 1.00 0.00 C ATOM 977 O GLU A 64 -8.934 5.050 4.307 1.00 0.00 O ATOM 978 CB GLU A 64 -7.535 3.574 6.540 1.00 0.00 C ATOM 979 CG GLU A 64 -6.586 3.289 7.706 1.00 0.00 C ATOM 980 CD GLU A 64 -7.325 2.609 8.860 1.00 0.00 C ATOM 981 OE1 GLU A 64 -8.484 3.008 9.106 1.00 0.00 O ATOM 982 OE2 GLU A 64 -6.714 1.705 9.471 1.00 0.00 O ATOM 0 H GLU A 64 -7.849 6.430 6.276 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.934 4.373 5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.502 3.898 6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.707 2.658 5.974 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.769 2.652 7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.141 4.221 8.054 1.00 0.00 H new ATOM 989 N GLY A 65 -7.055 4.416 3.219 1.00 0.00 N ATOM 990 CA GLY A 65 -7.674 4.444 1.904 1.00 0.00 C ATOM 991 C GLY A 65 -7.067 3.377 0.990 1.00 0.00 C ATOM 992 O GLY A 65 -6.083 2.733 1.350 1.00 0.00 O ATOM 0 H GLY A 65 -6.071 4.146 3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.747 4.279 2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.542 5.429 1.457 1.00 0.00 H new ATOM 996 N LEU A 66 -7.680 3.224 -0.174 1.00 0.00 N ATOM 997 CA LEU A 66 -7.213 2.246 -1.142 1.00 0.00 C ATOM 998 C LEU A 66 -6.012 2.817 -1.899 1.00 0.00 C ATOM 999 O LEU A 66 -5.994 3.998 -2.242 1.00 0.00 O ATOM 1000 CB LEU A 66 -8.360 1.804 -2.054 1.00 0.00 C ATOM 1001 CG LEU A 66 -9.530 1.099 -1.365 1.00 0.00 C ATOM 1002 CD1 LEU A 66 -10.691 0.885 -2.338 1.00 0.00 C ATOM 1003 CD2 LEU A 66 -9.076 -0.210 -0.717 1.00 0.00 C ATOM 0 H LEU A 66 -8.496 3.761 -0.469 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.872 1.343 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.745 2.682 -2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.956 1.136 -2.815 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.895 1.744 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.509 0.382 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.035 1.849 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.357 0.271 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.927 -0.691 -0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.670 -0.873 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.307 -0.000 0.027 1.00 0.00 H new ATOM 1015 N LEU A 67 -5.036 1.953 -2.136 1.00 0.00 N ATOM 1016 CA LEU A 67 -3.834 2.356 -2.845 1.00 0.00 C ATOM 1017 C LEU A 67 -3.642 1.457 -4.068 1.00 0.00 C ATOM 1018 O LEU A 67 -3.925 0.261 -4.013 1.00 0.00 O ATOM 1019 CB LEU A 67 -2.633 2.372 -1.898 1.00 0.00 C ATOM 1020 CG LEU A 67 -1.782 3.643 -1.915 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -0.850 3.696 -0.702 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -1.014 3.772 -3.232 1.00 0.00 C ATOM 0 H LEU A 67 -5.053 0.974 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.933 3.377 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.995 2.214 -0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.991 1.526 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.450 4.501 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.256 4.610 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.442 3.685 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.186 2.831 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.417 4.684 -3.217 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.358 2.911 -3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.719 3.813 -4.062 1.00 0.00 H new ATOM 1034 N ALA A 68 -3.162 2.066 -5.142 1.00 0.00 N ATOM 1035 CA ALA A 68 -2.929 1.335 -6.375 1.00 0.00 C ATOM 1036 C ALA A 68 -1.755 0.373 -6.179 1.00 0.00 C ATOM 1037 O ALA A 68 -0.694 0.772 -5.703 1.00 0.00 O ATOM 1038 CB ALA A 68 -2.687 2.324 -7.517 1.00 0.00 C ATOM 0 H ALA A 68 -2.928 3.058 -5.184 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.803 0.739 -6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.512 1.775 -8.442 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.561 2.965 -7.635 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.815 2.937 -7.289 1.00 0.00 H new ATOM 1044 N ALA A 69 -1.986 -0.876 -6.556 1.00 0.00 N ATOM 1045 CA ALA A 69 -0.962 -1.898 -6.427 1.00 0.00 C ATOM 1046 C ALA A 69 0.192 -1.580 -7.380 1.00 0.00 C ATOM 1047 O ALA A 69 1.315 -2.038 -7.175 1.00 0.00 O ATOM 1048 CB ALA A 69 -1.576 -3.274 -6.694 1.00 0.00 C ATOM 0 H ALA A 69 -2.868 -1.203 -6.951 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.560 -1.912 -5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.807 -4.041 -6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.371 -3.464 -5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.988 -3.299 -7.703 1.00 0.00 H new ATOM 1054 N GLY A 70 -0.124 -0.797 -8.401 1.00 0.00 N ATOM 1055 CA GLY A 70 0.873 -0.413 -9.386 1.00 0.00 C ATOM 1056 C GLY A 70 1.426 0.983 -9.090 1.00 0.00 C ATOM 1057 O GLY A 70 1.671 1.765 -10.007 1.00 0.00 O ATOM 0 H GLY A 70 -1.056 -0.418 -8.568 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.687 -1.138 -9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.431 -0.429 -10.382 1.00 0.00 H new ATOM 1061 N ALA A 71 1.607 1.252 -7.805 1.00 0.00 N ATOM 1062 CA ALA A 71 2.127 2.540 -7.377 1.00 0.00 C ATOM 1063 C ALA A 71 2.752 2.396 -5.988 1.00 0.00 C ATOM 1064 O ALA A 71 2.797 3.356 -5.220 1.00 0.00 O ATOM 1065 CB ALA A 71 1.005 3.579 -7.406 1.00 0.00 C ATOM 0 H ALA A 71 1.403 0.601 -7.047 1.00 0.00 H new ATOM 0 HA ALA A 71 2.907 2.884 -8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.395 4.545 -7.085 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.614 3.664 -8.420 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.205 3.269 -6.734 1.00 0.00 H new ATOM 1071 N LEU A 72 3.220 1.188 -5.707 1.00 0.00 N ATOM 1072 CA LEU A 72 3.841 0.906 -4.424 1.00 0.00 C ATOM 1073 C LEU A 72 5.163 0.170 -4.652 1.00 0.00 C ATOM 1074 O LEU A 72 5.327 -0.520 -5.657 1.00 0.00 O ATOM 1075 CB LEU A 72 2.869 0.156 -3.511 1.00 0.00 C ATOM 1076 CG LEU A 72 1.555 0.874 -3.195 1.00 0.00 C ATOM 1077 CD1 LEU A 72 0.454 -0.127 -2.841 1.00 0.00 C ATOM 1078 CD2 LEU A 72 1.754 1.920 -2.097 1.00 0.00 C ATOM 0 H LEU A 72 3.181 0.394 -6.346 1.00 0.00 H new ATOM 0 HA LEU A 72 4.078 1.834 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.634 -0.803 -3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.377 -0.059 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 72 1.231 1.404 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.469 0.410 -2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.290 -0.800 -3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.755 -0.705 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.806 2.416 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.113 1.432 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.486 2.658 -2.426 1.00 0.00 H new ATOM 1090 N ARG A 73 6.071 0.341 -3.703 1.00 0.00 N ATOM 1091 CA ARG A 73 7.373 -0.298 -3.788 1.00 0.00 C ATOM 1092 C ARG A 73 7.838 -0.741 -2.400 1.00 0.00 C ATOM 1093 O ARG A 73 7.219 -0.397 -1.394 1.00 0.00 O ATOM 1094 CB ARG A 73 8.413 0.648 -4.390 1.00 0.00 C ATOM 1095 CG ARG A 73 8.568 1.908 -3.535 1.00 0.00 C ATOM 1096 CD ARG A 73 9.952 1.963 -2.886 1.00 0.00 C ATOM 1097 NE ARG A 73 10.383 3.370 -2.731 1.00 0.00 N ATOM 1098 CZ ARG A 73 11.359 3.771 -1.905 1.00 0.00 C ATOM 1099 NH1 ARG A 73 12.013 2.873 -1.155 1.00 0.00 N ATOM 1100 NH2 ARG A 73 11.683 5.069 -1.830 1.00 0.00 N ATOM 0 H ARG A 73 5.931 0.913 -2.870 1.00 0.00 H new ATOM 0 HA ARG A 73 7.273 -1.169 -4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.373 0.137 -4.468 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.116 0.925 -5.402 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.417 2.793 -4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.799 1.925 -2.762 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.926 1.473 -1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.672 1.419 -3.498 1.00 0.00 H new ATOM 0 HE ARG A 73 9.907 4.080 -3.288 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.768 1.885 -1.213 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.756 3.178 -0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.187 5.752 -2.402 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.426 5.374 -1.201 1.00 0.00 H new ATOM 1114 N GLU A 74 8.926 -1.497 -2.389 1.00 0.00 N ATOM 1115 CA GLU A 74 9.482 -1.991 -1.140 1.00 0.00 C ATOM 1116 C GLU A 74 10.498 -0.993 -0.581 1.00 0.00 C ATOM 1117 O GLU A 74 11.568 -0.802 -1.156 1.00 0.00 O ATOM 1118 CB GLU A 74 10.116 -3.370 -1.330 1.00 0.00 C ATOM 1119 CG GLU A 74 10.039 -4.191 -0.040 1.00 0.00 C ATOM 1120 CD GLU A 74 11.123 -5.270 -0.012 1.00 0.00 C ATOM 1121 OE1 GLU A 74 12.254 -4.949 -0.434 1.00 0.00 O ATOM 1122 OE2 GLU A 74 10.795 -6.392 0.433 1.00 0.00 O ATOM 0 H GLU A 74 9.438 -1.780 -3.225 1.00 0.00 H new ATOM 0 HA GLU A 74 8.671 -2.097 -0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.607 -3.901 -2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.157 -3.257 -1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.153 -3.533 0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.056 -4.655 0.042 1.00 0.00 H new ATOM 1129 N ARG A 75 10.126 -0.382 0.535 1.00 0.00 N ATOM 1130 CA ARG A 75 10.992 0.592 1.179 1.00 0.00 C ATOM 1131 C ARG A 75 12.419 0.050 1.279 1.00 0.00 C ATOM 1132 O ARG A 75 13.330 0.568 0.636 1.00 0.00 O ATOM 1133 CB ARG A 75 10.485 0.937 2.581 1.00 0.00 C ATOM 1134 CG ARG A 75 11.245 2.133 3.159 1.00 0.00 C ATOM 1135 CD ARG A 75 10.958 2.293 4.653 1.00 0.00 C ATOM 1136 NE ARG A 75 11.844 3.329 5.230 1.00 0.00 N ATOM 1137 CZ ARG A 75 12.004 3.534 6.545 1.00 0.00 C ATOM 1138 NH1 ARG A 75 11.338 2.776 7.426 1.00 0.00 N ATOM 1139 NH2 ARG A 75 12.829 4.497 6.977 1.00 0.00 N ATOM 0 H ARG A 75 9.237 -0.542 1.009 1.00 0.00 H new ATOM 0 HA ARG A 75 10.985 1.496 0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.419 1.163 2.541 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.603 0.075 3.237 1.00 0.00 H new ATOM 0 HG2 ARG A 75 12.315 1.999 3.003 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.957 3.042 2.630 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.915 2.570 4.804 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.113 1.344 5.165 1.00 0.00 H new ATOM 0 HE ARG A 75 12.366 3.924 4.587 1.00 0.00 H new ATOM 0 HH11 ARG A 75 10.710 2.043 7.096 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.459 2.931 8.427 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.335 5.074 6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.951 4.653 7.978 1.00 0.00 H new ATOM 1153 N SER A 76 12.568 -0.987 2.090 1.00 0.00 N ATOM 1154 CA SER A 76 13.869 -1.605 2.283 1.00 0.00 C ATOM 1155 C SER A 76 14.446 -2.041 0.934 1.00 0.00 C ATOM 1156 O SER A 76 14.122 -3.117 0.434 1.00 0.00 O ATOM 1157 CB SER A 76 13.775 -2.802 3.231 1.00 0.00 C ATOM 1158 OG SER A 76 14.781 -2.765 4.239 1.00 0.00 O ATOM 0 H SER A 76 11.809 -1.415 2.621 1.00 0.00 H new ATOM 0 HA SER A 76 14.534 -0.869 2.735 1.00 0.00 H new ATOM 0 HB2 SER A 76 12.792 -2.816 3.701 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.868 -3.725 2.659 1.00 0.00 H new ATOM 0 HG SER A 76 14.686 -3.545 4.825 1.00 0.00 H new ATOM 1164 N GLY A 77 15.292 -1.182 0.384 1.00 0.00 N ATOM 1165 CA GLY A 77 15.917 -1.464 -0.897 1.00 0.00 C ATOM 1166 C GLY A 77 17.273 -2.148 -0.707 1.00 0.00 C ATOM 1167 O GLY A 77 17.888 -2.031 0.352 1.00 0.00 O ATOM 0 H GLY A 77 15.559 -0.291 0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.264 -2.103 -1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.049 -0.536 -1.454 1.00 0.00 H new ATOM 1171 N PRO A 78 17.710 -2.865 -1.776 1.00 0.00 N ATOM 1172 CA PRO A 78 18.981 -3.567 -1.737 1.00 0.00 C ATOM 1173 C PRO A 78 20.152 -2.591 -1.870 1.00 0.00 C ATOM 1174 O PRO A 78 19.948 -1.399 -2.098 1.00 0.00 O ATOM 1175 CB PRO A 78 18.912 -4.570 -2.877 1.00 0.00 C ATOM 1176 CG PRO A 78 17.806 -4.079 -3.797 1.00 0.00 C ATOM 1177 CD PRO A 78 17.008 -3.026 -3.046 1.00 0.00 C ATOM 0 HA PRO A 78 19.152 -4.074 -0.787 1.00 0.00 H new ATOM 0 HB2 PRO A 78 19.864 -4.627 -3.406 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.694 -5.571 -2.504 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.228 -3.659 -4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.162 -4.906 -4.094 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.971 -2.088 -3.600 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.978 -3.346 -2.891 1.00 0.00 H new ATOM 1185 N SER A 79 21.352 -3.132 -1.722 1.00 0.00 N ATOM 1186 CA SER A 79 22.555 -2.323 -1.822 1.00 0.00 C ATOM 1187 C SER A 79 22.404 -1.053 -0.981 1.00 0.00 C ATOM 1188 O SER A 79 22.004 -0.009 -1.494 1.00 0.00 O ATOM 1189 CB SER A 79 22.856 -1.962 -3.278 1.00 0.00 C ATOM 1190 OG SER A 79 23.784 -0.885 -3.381 1.00 0.00 O ATOM 0 H SER A 79 21.517 -4.121 -1.534 1.00 0.00 H new ATOM 0 HA SER A 79 23.392 -2.907 -1.440 1.00 0.00 H new ATOM 0 HB2 SER A 79 23.256 -2.836 -3.793 1.00 0.00 H new ATOM 0 HB3 SER A 79 21.929 -1.691 -3.783 1.00 0.00 H new ATOM 0 HG SER A 79 23.951 -0.686 -4.326 1.00 0.00 H new ATOM 1196 N SER A 80 22.732 -1.185 0.296 1.00 0.00 N ATOM 1197 CA SER A 80 22.638 -0.062 1.212 1.00 0.00 C ATOM 1198 C SER A 80 23.818 -0.080 2.186 1.00 0.00 C ATOM 1199 O SER A 80 23.944 -0.996 2.997 1.00 0.00 O ATOM 1200 CB SER A 80 21.315 -0.088 1.981 1.00 0.00 C ATOM 1201 OG SER A 80 20.613 1.147 1.878 1.00 0.00 O ATOM 0 H SER A 80 23.063 -2.053 0.718 1.00 0.00 H new ATOM 0 HA SER A 80 22.671 0.858 0.629 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.689 -0.894 1.598 1.00 0.00 H new ATOM 0 HB3 SER A 80 21.510 -0.308 3.031 1.00 0.00 H new ATOM 0 HG SER A 80 19.774 1.089 2.381 1.00 0.00 H new ATOM 1207 N GLY A 81 24.654 0.942 2.072 1.00 0.00 N ATOM 1208 CA GLY A 81 25.820 1.055 2.932 1.00 0.00 C ATOM 1209 C GLY A 81 26.663 2.274 2.554 1.00 0.00 C ATOM 1210 O GLY A 81 27.200 2.344 1.449 1.00 0.00 O ATOM 0 H GLY A 81 24.547 1.699 1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 81 25.503 1.136 3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 81 26.424 0.151 2.852 1.00 0.00 H new TER 1214 GLY A 81