USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 791 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 Single : A 1 MET CE :methyl 168:sc= 0 (180deg=-0.108) USER MOD Single : A 1 MET N :NH3+ -175:sc= 0 (180deg=-0.0311) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0754 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.641 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -63:sc= 0.776 USER MOD Single : A 56 LYS NZ :NH3+ 145:sc= -0.0125 (180deg=-0.227) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -3.25! C(o=-3.2!,f=-1.7!) USER MOD Single : A 63 HIS : no HD1:sc= -3.03 K(o=-3,f=-0.9) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc=-0.00412 X(o=-0.0041,f=-0.1) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 109:sc= 1.02 USER MOD Single : A 84 MET CE :methyl -170:sc= 0 (180deg=-0.209) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.830 6.832 11.117 1.00 0.00 N ATOM 2 CA MET A 1 23.853 5.829 10.728 1.00 0.00 C ATOM 3 C MET A 1 23.913 5.560 9.223 1.00 0.00 C ATOM 4 O MET A 1 23.941 4.407 8.796 1.00 0.00 O ATOM 5 CB MET A 1 22.450 6.309 11.105 1.00 0.00 C ATOM 6 CG MET A 1 21.569 5.138 11.545 1.00 0.00 C ATOM 7 SD MET A 1 20.756 5.530 13.085 1.00 0.00 S ATOM 8 CE MET A 1 19.711 6.874 12.550 1.00 0.00 C ATOM 0 H1 MET A 1 24.828 6.935 12.152 1.00 0.00 H new ATOM 0 H2 MET A 1 25.776 6.537 10.800 1.00 0.00 H new ATOM 0 H3 MET A 1 24.586 7.743 10.678 1.00 0.00 H new ATOM 0 HA MET A 1 24.083 4.902 11.254 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.516 7.041 11.910 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.993 6.812 10.253 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.826 4.922 10.777 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.176 4.240 11.663 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.982 7.100 13.328 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.322 7.756 12.359 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.190 6.588 11.636 1.00 0.00 H new ATOM 18 N SER A 2 23.931 6.643 8.461 1.00 0.00 N ATOM 19 CA SER A 2 23.987 6.539 7.013 1.00 0.00 C ATOM 20 C SER A 2 24.724 7.746 6.429 1.00 0.00 C ATOM 21 O SER A 2 24.298 8.885 6.610 1.00 0.00 O ATOM 22 CB SER A 2 22.583 6.433 6.413 1.00 0.00 C ATOM 23 OG SER A 2 21.778 5.482 7.104 1.00 0.00 O ATOM 0 H SER A 2 23.908 7.598 8.819 1.00 0.00 H new ATOM 0 HA SER A 2 24.532 5.630 6.757 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.100 7.409 6.446 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.658 6.150 5.363 1.00 0.00 H new ATOM 0 HG SER A 2 20.890 5.445 6.692 1.00 0.00 H new ATOM 29 N ALA A 3 25.818 7.454 5.740 1.00 0.00 N ATOM 30 CA ALA A 3 26.618 8.501 5.128 1.00 0.00 C ATOM 31 C ALA A 3 27.595 7.874 4.132 1.00 0.00 C ATOM 32 O ALA A 3 28.427 7.050 4.508 1.00 0.00 O ATOM 33 CB ALA A 3 27.332 9.302 6.220 1.00 0.00 C ATOM 0 H ALA A 3 26.169 6.508 5.592 1.00 0.00 H new ATOM 0 HA ALA A 3 25.984 9.195 4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 3 27.932 10.088 5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 3 26.593 9.751 6.884 1.00 0.00 H new ATOM 0 HB3 ALA A 3 27.980 8.639 6.793 1.00 0.00 H new ATOM 39 N ASN A 4 27.462 8.289 2.880 1.00 0.00 N ATOM 40 CA ASN A 4 28.322 7.778 1.827 1.00 0.00 C ATOM 41 C ASN A 4 28.091 6.274 1.670 1.00 0.00 C ATOM 42 O ASN A 4 27.570 5.625 2.575 1.00 0.00 O ATOM 43 CB ASN A 4 29.798 7.997 2.167 1.00 0.00 C ATOM 44 CG ASN A 4 30.424 9.044 1.244 1.00 0.00 C ATOM 45 OD1 ASN A 4 30.416 10.233 1.517 1.00 0.00 O ATOM 46 ND2 ASN A 4 30.965 8.538 0.140 1.00 0.00 N ATOM 0 H ASN A 4 26.771 8.973 2.572 1.00 0.00 H new ATOM 0 HA ASN A 4 28.081 8.310 0.907 1.00 0.00 H new ATOM 0 HB2 ASN A 4 29.892 8.319 3.204 1.00 0.00 H new ATOM 0 HB3 ASN A 4 30.340 7.056 2.075 1.00 0.00 H new ATOM 0 HD21 ASN A 4 31.408 9.156 -0.540 1.00 0.00 H new ATOM 0 HD22 ASN A 4 30.937 7.532 -0.027 1.00 0.00 H new ATOM 53 N ARG A 5 28.490 5.764 0.514 1.00 0.00 N ATOM 54 CA ARG A 5 28.333 4.348 0.227 1.00 0.00 C ATOM 55 C ARG A 5 26.869 3.933 0.389 1.00 0.00 C ATOM 56 O ARG A 5 26.366 3.843 1.508 1.00 0.00 O ATOM 57 CB ARG A 5 29.203 3.498 1.154 1.00 0.00 C ATOM 58 CG ARG A 5 29.606 2.186 0.478 1.00 0.00 C ATOM 59 CD ARG A 5 31.109 1.935 0.621 1.00 0.00 C ATOM 60 NE ARG A 5 31.691 1.583 -0.693 1.00 0.00 N ATOM 61 CZ ARG A 5 33.016 1.551 -0.950 1.00 0.00 C ATOM 62 NH1 ARG A 5 33.909 1.848 0.018 1.00 0.00 N ATOM 63 NH2 ARG A 5 33.426 1.223 -2.161 1.00 0.00 N ATOM 0 H ARG A 5 28.922 6.306 -0.235 1.00 0.00 H new ATOM 0 HA ARG A 5 28.650 4.181 -0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 5 30.096 4.057 1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 5 28.659 3.285 2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 5 29.052 1.359 0.922 1.00 0.00 H new ATOM 0 HG3 ARG A 5 29.338 2.219 -0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 5 31.598 2.824 1.018 1.00 0.00 H new ATOM 0 HD3 ARG A 5 31.285 1.129 1.334 1.00 0.00 H new ATOM 0 HE ARG A 5 31.051 1.350 -1.452 1.00 0.00 H new ATOM 0 HH11 ARG A 5 33.584 2.099 0.952 1.00 0.00 H new ATOM 0 HH12 ARG A 5 34.908 1.821 -0.184 1.00 0.00 H new ATOM 0 HH21 ARG A 5 32.745 0.998 -2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 5 34.424 1.194 -2.371 1.00 0.00 H new ATOM 77 N ARG A 6 26.226 3.692 -0.744 1.00 0.00 N ATOM 78 CA ARG A 6 24.830 3.289 -0.742 1.00 0.00 C ATOM 79 C ARG A 6 23.969 4.363 -0.075 1.00 0.00 C ATOM 80 O ARG A 6 23.778 4.345 1.140 1.00 0.00 O ATOM 81 CB ARG A 6 24.642 1.962 -0.003 1.00 0.00 C ATOM 82 CG ARG A 6 23.918 0.942 -0.884 1.00 0.00 C ATOM 83 CD ARG A 6 22.476 0.737 -0.414 1.00 0.00 C ATOM 84 NE ARG A 6 22.401 -0.426 0.498 1.00 0.00 N ATOM 85 CZ ARG A 6 22.556 -1.708 0.105 1.00 0.00 C ATOM 86 NH1 ARG A 6 22.796 -2.002 -1.191 1.00 0.00 N ATOM 87 NH2 ARG A 6 22.469 -2.669 1.005 1.00 0.00 N ATOM 0 H ARG A 6 26.646 3.768 -1.670 1.00 0.00 H new ATOM 0 HA ARG A 6 24.519 3.162 -1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 6 25.613 1.567 0.295 1.00 0.00 H new ATOM 0 HB3 ARG A 6 24.072 2.128 0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 6 23.922 1.283 -1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 6 24.451 -0.008 -0.859 1.00 0.00 H new ATOM 0 HD2 ARG A 6 22.120 1.633 0.095 1.00 0.00 H new ATOM 0 HD3 ARG A 6 21.824 0.579 -1.273 1.00 0.00 H new ATOM 0 HE ARG A 6 22.221 -0.248 1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 6 22.861 -1.253 -1.880 1.00 0.00 H new ATOM 0 HH12 ARG A 6 22.912 -2.973 -1.481 1.00 0.00 H new ATOM 0 HH21 ARG A 6 22.287 -2.438 1.982 1.00 0.00 H new ATOM 0 HH22 ARG A 6 22.584 -3.643 0.724 1.00 0.00 H new ATOM 101 N TRP A 7 23.471 5.273 -0.900 1.00 0.00 N ATOM 102 CA TRP A 7 22.634 6.353 -0.406 1.00 0.00 C ATOM 103 C TRP A 7 21.928 6.990 -1.604 1.00 0.00 C ATOM 104 O TRP A 7 22.188 8.145 -1.940 1.00 0.00 O ATOM 105 CB TRP A 7 23.456 7.355 0.407 1.00 0.00 C ATOM 106 CG TRP A 7 22.687 7.999 1.562 1.00 0.00 C ATOM 107 CD1 TRP A 7 22.392 7.466 2.756 1.00 0.00 C ATOM 108 CD2 TRP A 7 22.123 9.328 1.585 1.00 0.00 C ATOM 109 NE1 TRP A 7 21.683 8.350 3.543 1.00 0.00 N ATOM 110 CE2 TRP A 7 21.514 9.518 2.808 1.00 0.00 C ATOM 111 CE3 TRP A 7 22.128 10.335 0.604 1.00 0.00 C ATOM 112 CZ2 TRP A 7 20.864 10.706 3.165 1.00 0.00 C ATOM 113 CZ3 TRP A 7 21.474 11.516 0.976 1.00 0.00 C ATOM 114 CH2 TRP A 7 20.856 11.724 2.203 1.00 0.00 C ATOM 0 H TRP A 7 23.631 5.284 -1.907 1.00 0.00 H new ATOM 0 HA TRP A 7 21.878 5.972 0.281 1.00 0.00 H new ATOM 0 HB2 TRP A 7 24.335 6.849 0.807 1.00 0.00 H new ATOM 0 HB3 TRP A 7 23.815 8.140 -0.259 1.00 0.00 H new ATOM 0 HD1 TRP A 7 22.674 6.470 3.063 1.00 0.00 H new ATOM 0 HE1 TRP A 7 21.345 8.178 4.490 1.00 0.00 H new ATOM 0 HE3 TRP A 7 22.599 10.208 -0.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 20.394 10.830 4.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 21.448 12.323 0.258 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.372 12.666 2.414 1.00 0.00 H new ATOM 125 N TRP A 8 21.049 6.210 -2.216 1.00 0.00 N ATOM 126 CA TRP A 8 20.304 6.684 -3.369 1.00 0.00 C ATOM 127 C TRP A 8 19.374 5.559 -3.827 1.00 0.00 C ATOM 128 O TRP A 8 19.810 4.422 -4.002 1.00 0.00 O ATOM 129 CB TRP A 8 21.248 7.165 -4.473 1.00 0.00 C ATOM 130 CG TRP A 8 20.803 8.462 -5.152 1.00 0.00 C ATOM 131 CD1 TRP A 8 20.120 9.482 -4.615 1.00 0.00 C ATOM 132 CD2 TRP A 8 21.040 8.838 -6.525 1.00 0.00 C ATOM 133 NE1 TRP A 8 19.900 10.484 -5.538 1.00 0.00 N ATOM 134 CE2 TRP A 8 20.477 10.080 -6.736 1.00 0.00 C ATOM 135 CE3 TRP A 8 21.708 8.152 -7.554 1.00 0.00 C ATOM 136 CZ2 TRP A 8 20.525 10.744 -7.968 1.00 0.00 C ATOM 137 CZ3 TRP A 8 21.747 8.829 -8.779 1.00 0.00 C ATOM 138 CH2 TRP A 8 21.185 10.080 -9.008 1.00 0.00 C ATOM 0 H TRP A 8 20.836 5.253 -1.935 1.00 0.00 H new ATOM 0 HA TRP A 8 19.698 7.551 -3.106 1.00 0.00 H new ATOM 0 HB2 TRP A 8 22.241 7.311 -4.049 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.336 6.384 -5.228 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.784 9.516 -3.589 1.00 0.00 H new ATOM 0 HE1 TRP A 8 19.405 11.360 -5.372 1.00 0.00 H new ATOM 0 HE3 TRP A 8 22.156 7.180 -7.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 20.077 11.717 -8.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 22.249 8.345 -9.604 1.00 0.00 H new ATOM 0 HH2 TRP A 8 21.258 10.537 -9.984 1.00 0.00 H new ATOM 149 N VAL A 9 18.110 5.914 -4.007 1.00 0.00 N ATOM 150 CA VAL A 9 17.116 4.948 -4.441 1.00 0.00 C ATOM 151 C VAL A 9 16.432 5.461 -5.710 1.00 0.00 C ATOM 152 O VAL A 9 15.295 5.929 -5.661 1.00 0.00 O ATOM 153 CB VAL A 9 16.131 4.665 -3.304 1.00 0.00 C ATOM 154 CG1 VAL A 9 16.846 4.044 -2.102 1.00 0.00 C ATOM 155 CG2 VAL A 9 15.380 5.935 -2.899 1.00 0.00 C ATOM 0 H VAL A 9 17.752 6.858 -3.860 1.00 0.00 H new ATOM 0 HA VAL A 9 17.589 3.998 -4.688 1.00 0.00 H new ATOM 0 HB VAL A 9 15.398 3.945 -3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.124 3.853 -1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.313 3.106 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 9 17.611 4.731 -1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 9 14.687 5.705 -2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 9 16.093 6.688 -2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.824 6.318 -3.755 1.00 0.00 H new ATOM 165 N PRO A 10 17.172 5.353 -6.845 1.00 0.00 N ATOM 166 CA PRO A 10 16.649 5.800 -8.125 1.00 0.00 C ATOM 167 C PRO A 10 15.611 4.816 -8.667 1.00 0.00 C ATOM 168 O PRO A 10 15.943 3.681 -9.005 1.00 0.00 O ATOM 169 CB PRO A 10 17.868 5.932 -9.023 1.00 0.00 C ATOM 170 CG PRO A 10 18.965 5.114 -8.361 1.00 0.00 C ATOM 171 CD PRO A 10 18.522 4.804 -6.941 1.00 0.00 C ATOM 0 HA PRO A 10 16.118 6.749 -8.054 1.00 0.00 H new ATOM 0 HB2 PRO A 10 17.656 5.562 -10.026 1.00 0.00 H new ATOM 0 HB3 PRO A 10 18.167 6.975 -9.125 1.00 0.00 H new ATOM 0 HG2 PRO A 10 19.142 4.192 -8.916 1.00 0.00 H new ATOM 0 HG3 PRO A 10 19.904 5.668 -8.356 1.00 0.00 H new ATOM 0 HD2 PRO A 10 18.527 3.731 -6.750 1.00 0.00 H new ATOM 0 HD3 PRO A 10 19.188 5.261 -6.210 1.00 0.00 H new ATOM 179 N PRO A 11 14.341 5.299 -8.734 1.00 0.00 N ATOM 180 CA PRO A 11 13.252 4.475 -9.229 1.00 0.00 C ATOM 181 C PRO A 11 13.317 4.337 -10.752 1.00 0.00 C ATOM 182 O PRO A 11 14.111 5.011 -11.407 1.00 0.00 O ATOM 183 CB PRO A 11 11.986 5.166 -8.749 1.00 0.00 C ATOM 184 CG PRO A 11 12.393 6.590 -8.406 1.00 0.00 C ATOM 185 CD PRO A 11 13.911 6.638 -8.342 1.00 0.00 C ATOM 0 HA PRO A 11 13.297 3.451 -8.857 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.218 5.155 -9.522 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.570 4.658 -7.879 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.020 7.285 -9.158 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.961 6.891 -7.452 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.312 7.396 -9.015 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.257 6.887 -7.339 1.00 0.00 H new ATOM 193 N ASP A 12 12.471 3.459 -11.271 1.00 0.00 N ATOM 194 CA ASP A 12 12.423 3.225 -12.704 1.00 0.00 C ATOM 195 C ASP A 12 11.273 4.032 -13.310 1.00 0.00 C ATOM 196 O ASP A 12 11.476 4.798 -14.251 1.00 0.00 O ATOM 197 CB ASP A 12 12.176 1.746 -13.012 1.00 0.00 C ATOM 198 CG ASP A 12 13.109 1.141 -14.063 1.00 0.00 C ATOM 199 OD1 ASP A 12 12.844 1.218 -15.272 1.00 0.00 O ATOM 200 OD2 ASP A 12 14.160 0.561 -13.591 1.00 0.00 O ATOM 0 H ASP A 12 11.814 2.902 -10.725 1.00 0.00 H new ATOM 0 HA ASP A 12 13.381 3.527 -13.128 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.276 1.176 -12.088 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.147 1.628 -13.350 1.00 0.00 H new ATOM 205 N ASP A 13 10.091 3.832 -12.746 1.00 0.00 N ATOM 206 CA ASP A 13 8.908 4.532 -13.219 1.00 0.00 C ATOM 207 C ASP A 13 7.705 4.127 -12.365 1.00 0.00 C ATOM 208 O ASP A 13 7.038 4.980 -11.782 1.00 0.00 O ATOM 209 CB ASP A 13 8.599 4.170 -14.673 1.00 0.00 C ATOM 210 CG ASP A 13 8.226 5.353 -15.569 1.00 0.00 C ATOM 211 OD1 ASP A 13 8.766 6.460 -15.423 1.00 0.00 O ATOM 212 OD2 ASP A 13 7.327 5.101 -16.459 1.00 0.00 O ATOM 0 H ASP A 13 9.927 3.195 -11.966 1.00 0.00 H new ATOM 0 HA ASP A 13 9.098 5.603 -13.146 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.469 3.670 -15.100 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.780 3.451 -14.686 1.00 0.00 H new ATOM 217 N GLU A 14 7.464 2.825 -12.320 1.00 0.00 N ATOM 218 CA GLU A 14 6.353 2.296 -11.547 1.00 0.00 C ATOM 219 C GLU A 14 6.867 1.362 -10.449 1.00 0.00 C ATOM 220 O GLU A 14 6.602 1.581 -9.268 1.00 0.00 O ATOM 221 CB GLU A 14 5.349 1.579 -12.451 1.00 0.00 C ATOM 222 CG GLU A 14 3.912 1.860 -12.006 1.00 0.00 C ATOM 223 CD GLU A 14 3.161 2.675 -13.061 1.00 0.00 C ATOM 224 OE1 GLU A 14 3.706 3.654 -13.592 1.00 0.00 O ATOM 225 OE2 GLU A 14 1.970 2.257 -13.326 1.00 0.00 O ATOM 0 H GLU A 14 8.019 2.121 -12.806 1.00 0.00 H new ATOM 0 HA GLU A 14 5.835 3.130 -11.074 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.485 1.906 -13.482 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.537 0.506 -12.429 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.391 0.919 -11.830 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.920 2.402 -11.060 1.00 0.00 H new ATOM 232 N ASP A 15 7.594 0.340 -10.877 1.00 0.00 N ATOM 233 CA ASP A 15 8.147 -0.627 -9.946 1.00 0.00 C ATOM 234 C ASP A 15 7.013 -1.243 -9.123 1.00 0.00 C ATOM 235 O ASP A 15 6.622 -0.696 -8.093 1.00 0.00 O ATOM 236 CB ASP A 15 9.127 0.038 -8.977 1.00 0.00 C ATOM 237 CG ASP A 15 10.439 0.510 -9.607 1.00 0.00 C ATOM 238 OD1 ASP A 15 10.498 0.814 -10.808 1.00 0.00 O ATOM 239 OD2 ASP A 15 11.443 0.561 -8.800 1.00 0.00 O ATOM 0 H ASP A 15 7.813 0.161 -11.857 1.00 0.00 H new ATOM 0 HA ASP A 15 8.672 -1.388 -10.523 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.634 0.894 -8.516 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.358 -0.666 -8.177 1.00 0.00 H new ATOM 244 N CYS A 16 6.518 -2.371 -9.608 1.00 0.00 N ATOM 245 CA CYS A 16 5.437 -3.067 -8.931 1.00 0.00 C ATOM 246 C CYS A 16 6.041 -4.200 -8.100 1.00 0.00 C ATOM 247 O CYS A 16 5.964 -4.184 -6.872 1.00 0.00 O ATOM 248 CB CYS A 16 4.387 -3.580 -9.919 1.00 0.00 C ATOM 249 SG CYS A 16 2.709 -3.154 -9.327 1.00 0.00 S ATOM 0 H CYS A 16 6.846 -2.821 -10.463 1.00 0.00 H new ATOM 0 HA CYS A 16 4.912 -2.375 -8.272 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.557 -3.142 -10.903 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.479 -4.660 -10.031 1.00 0.00 H new ATOM 0 HG CYS A 16 1.826 -3.592 -10.174 1.00 0.00 H new ATOM 255 N VAL A 17 6.628 -5.158 -8.802 1.00 0.00 N ATOM 256 CA VAL A 17 7.246 -6.297 -8.145 1.00 0.00 C ATOM 257 C VAL A 17 8.742 -6.030 -7.969 1.00 0.00 C ATOM 258 O VAL A 17 9.187 -5.665 -6.882 1.00 0.00 O ATOM 259 CB VAL A 17 6.955 -7.576 -8.933 1.00 0.00 C ATOM 260 CG1 VAL A 17 7.963 -8.674 -8.586 1.00 0.00 C ATOM 261 CG2 VAL A 17 5.521 -8.053 -8.695 1.00 0.00 C ATOM 0 H VAL A 17 6.689 -5.169 -9.820 1.00 0.00 H new ATOM 0 HA VAL A 17 6.823 -6.440 -7.151 1.00 0.00 H new ATOM 0 HB VAL A 17 7.060 -7.347 -9.994 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.734 -9.572 -9.159 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.970 -8.334 -8.830 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.904 -8.899 -7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.341 -8.963 -9.267 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.377 -8.256 -7.634 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.823 -7.280 -9.015 1.00 0.00 H new ATOM 271 N SER A 18 9.476 -6.222 -9.055 1.00 0.00 N ATOM 272 CA SER A 18 10.913 -6.007 -9.034 1.00 0.00 C ATOM 273 C SER A 18 11.568 -6.940 -8.014 1.00 0.00 C ATOM 274 O SER A 18 10.880 -7.695 -7.327 1.00 0.00 O ATOM 275 CB SER A 18 11.247 -4.549 -8.710 1.00 0.00 C ATOM 276 OG SER A 18 12.461 -4.130 -9.326 1.00 0.00 O ATOM 0 H SER A 18 9.103 -6.524 -9.955 1.00 0.00 H new ATOM 0 HA SER A 18 11.306 -6.231 -10.026 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.431 -3.908 -9.043 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.328 -4.427 -7.630 1.00 0.00 H new ATOM 0 HG SER A 18 12.638 -3.194 -9.096 1.00 0.00 H new ATOM 282 N GLU A 19 12.888 -6.859 -7.947 1.00 0.00 N ATOM 283 CA GLU A 19 13.643 -7.687 -7.022 1.00 0.00 C ATOM 284 C GLU A 19 13.140 -7.480 -5.592 1.00 0.00 C ATOM 285 O GLU A 19 13.275 -8.365 -4.749 1.00 0.00 O ATOM 286 CB GLU A 19 15.142 -7.396 -7.123 1.00 0.00 C ATOM 287 CG GLU A 19 15.953 -8.693 -7.135 1.00 0.00 C ATOM 288 CD GLU A 19 15.670 -9.505 -8.401 1.00 0.00 C ATOM 289 OE1 GLU A 19 15.300 -8.930 -9.435 1.00 0.00 O ATOM 290 OE2 GLU A 19 15.849 -10.777 -8.284 1.00 0.00 O ATOM 0 H GLU A 19 13.455 -6.232 -8.518 1.00 0.00 H new ATOM 0 HA GLU A 19 13.490 -8.732 -7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.345 -6.827 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.453 -6.776 -6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.017 -8.462 -7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.708 -9.288 -6.255 1.00 0.00 H new ATOM 297 N LYS A 20 12.569 -6.307 -5.363 1.00 0.00 N ATOM 298 CA LYS A 20 12.045 -5.973 -4.050 1.00 0.00 C ATOM 299 C LYS A 20 11.031 -7.036 -3.625 1.00 0.00 C ATOM 300 O LYS A 20 11.208 -7.695 -2.601 1.00 0.00 O ATOM 301 CB LYS A 20 11.483 -4.550 -4.043 1.00 0.00 C ATOM 302 CG LYS A 20 12.581 -3.528 -3.744 1.00 0.00 C ATOM 303 CD LYS A 20 12.741 -2.540 -4.902 1.00 0.00 C ATOM 304 CE LYS A 20 14.003 -1.692 -4.729 1.00 0.00 C ATOM 305 NZ LYS A 20 14.150 -0.746 -5.858 1.00 0.00 N ATOM 0 H LYS A 20 12.458 -5.576 -6.065 1.00 0.00 H new ATOM 0 HA LYS A 20 12.844 -5.979 -3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.030 -4.330 -5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.694 -4.471 -3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.339 -2.986 -2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.525 -4.044 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.791 -3.084 -5.845 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.867 -1.891 -4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.952 -1.141 -3.790 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.878 -2.339 -4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.011 -0.178 -5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.220 -1.277 -6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.323 -0.117 -5.894 1.00 0.00 H new ATOM 319 N LEU A 21 9.990 -7.172 -4.433 1.00 0.00 N ATOM 320 CA LEU A 21 8.947 -8.145 -4.153 1.00 0.00 C ATOM 321 C LEU A 21 9.537 -9.554 -4.227 1.00 0.00 C ATOM 322 O LEU A 21 9.363 -10.353 -3.308 1.00 0.00 O ATOM 323 CB LEU A 21 7.751 -7.930 -5.083 1.00 0.00 C ATOM 324 CG LEU A 21 6.504 -7.317 -4.441 1.00 0.00 C ATOM 325 CD1 LEU A 21 5.915 -8.253 -3.384 1.00 0.00 C ATOM 326 CD2 LEU A 21 6.806 -5.928 -3.873 1.00 0.00 C ATOM 0 H LEU A 21 9.846 -6.625 -5.282 1.00 0.00 H new ATOM 0 HA LEU A 21 8.564 -8.012 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.066 -7.287 -5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.477 -8.891 -5.518 1.00 0.00 H new ATOM 0 HG LEU A 21 5.748 -7.190 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.030 -7.793 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.639 -9.199 -3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.656 -8.434 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.903 -5.515 -3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.586 -6.006 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.144 -5.272 -4.676 1.00 0.00 H new ATOM 338 N LEU A 22 10.224 -9.817 -5.330 1.00 0.00 N ATOM 339 CA LEU A 22 10.841 -11.116 -5.535 1.00 0.00 C ATOM 340 C LEU A 22 11.456 -11.598 -4.219 1.00 0.00 C ATOM 341 O LEU A 22 11.358 -12.776 -3.879 1.00 0.00 O ATOM 342 CB LEU A 22 11.837 -11.059 -6.695 1.00 0.00 C ATOM 343 CG LEU A 22 11.459 -11.859 -7.943 1.00 0.00 C ATOM 344 CD1 LEU A 22 11.246 -13.336 -7.605 1.00 0.00 C ATOM 345 CD2 LEU A 22 10.240 -11.249 -8.638 1.00 0.00 C ATOM 0 H LEU A 22 10.366 -9.152 -6.090 1.00 0.00 H new ATOM 0 HA LEU A 22 10.091 -11.852 -5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.970 -10.016 -6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.802 -11.417 -6.337 1.00 0.00 H new ATOM 0 HG LEU A 22 12.290 -11.806 -8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.978 -13.881 -8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.165 -13.750 -7.190 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.443 -13.430 -6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.993 -11.837 -9.522 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.392 -11.250 -7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.465 -10.225 -8.935 1.00 0.00 H new ATOM 357 N ARG A 23 12.076 -10.662 -3.516 1.00 0.00 N ATOM 358 CA ARG A 23 12.707 -10.976 -2.245 1.00 0.00 C ATOM 359 C ARG A 23 11.652 -11.095 -1.144 1.00 0.00 C ATOM 360 O ARG A 23 11.627 -12.080 -0.407 1.00 0.00 O ATOM 361 CB ARG A 23 13.723 -9.901 -1.855 1.00 0.00 C ATOM 362 CG ARG A 23 14.754 -10.454 -0.868 1.00 0.00 C ATOM 363 CD ARG A 23 15.716 -11.420 -1.563 1.00 0.00 C ATOM 364 NE ARG A 23 15.374 -12.816 -1.210 1.00 0.00 N ATOM 365 CZ ARG A 23 15.373 -13.299 0.050 1.00 0.00 C ATOM 366 NH1 ARG A 23 15.696 -12.501 1.090 1.00 0.00 N ATOM 367 NH2 ARG A 23 15.051 -14.563 0.251 1.00 0.00 N ATOM 0 H ARG A 23 12.155 -9.686 -3.802 1.00 0.00 H new ATOM 0 HA ARG A 23 13.227 -11.927 -2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 23 14.229 -9.533 -2.747 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.206 -9.052 -1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 23 15.316 -9.632 -0.425 1.00 0.00 H new ATOM 0 HG3 ARG A 23 14.244 -10.967 -0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 23 15.662 -11.286 -2.643 1.00 0.00 H new ATOM 0 HD3 ARG A 23 16.742 -11.202 -1.266 1.00 0.00 H new ATOM 0 HE ARG A 23 15.123 -13.453 -1.966 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.943 -11.525 0.926 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.693 -12.874 2.039 1.00 0.00 H new ATOM 0 HH21 ARG A 23 14.808 -15.159 -0.540 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.045 -14.944 1.197 1.00 0.00 H new ATOM 381 N LYS A 24 10.807 -10.078 -1.066 1.00 0.00 N ATOM 382 CA LYS A 24 9.752 -10.056 -0.066 1.00 0.00 C ATOM 383 C LYS A 24 9.047 -11.413 -0.046 1.00 0.00 C ATOM 384 O LYS A 24 8.545 -11.841 0.992 1.00 0.00 O ATOM 385 CB LYS A 24 8.809 -8.876 -0.308 1.00 0.00 C ATOM 386 CG LYS A 24 8.688 -8.005 0.943 1.00 0.00 C ATOM 387 CD LYS A 24 9.815 -6.971 1.002 1.00 0.00 C ATOM 388 CE LYS A 24 9.254 -5.547 0.980 1.00 0.00 C ATOM 389 NZ LYS A 24 9.039 -5.053 2.358 1.00 0.00 N ATOM 0 H LYS A 24 10.831 -9.263 -1.679 1.00 0.00 H new ATOM 0 HA LYS A 24 10.172 -9.900 0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.178 -8.275 -1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.824 -9.246 -0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.723 -7.497 0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.719 -8.634 1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.403 -7.120 1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.489 -7.113 0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.943 -4.886 0.454 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.313 -5.529 0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.658 -4.086 2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.364 -5.674 2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.944 -5.051 2.871 1.00 0.00 H new ATOM 403 N THR A 25 9.031 -12.054 -1.206 1.00 0.00 N ATOM 404 CA THR A 25 8.395 -13.354 -1.335 1.00 0.00 C ATOM 405 C THR A 25 8.661 -14.203 -0.090 1.00 0.00 C ATOM 406 O THR A 25 9.711 -14.078 0.538 1.00 0.00 O ATOM 407 CB THR A 25 8.895 -13.999 -2.629 1.00 0.00 C ATOM 408 OG1 THR A 25 7.826 -14.852 -3.027 1.00 0.00 O ATOM 409 CG2 THR A 25 10.066 -14.954 -2.392 1.00 0.00 C ATOM 0 H THR A 25 9.449 -11.697 -2.065 1.00 0.00 H new ATOM 0 HA THR A 25 7.311 -13.260 -1.400 1.00 0.00 H new ATOM 0 HB THR A 25 9.198 -13.221 -3.329 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.065 -15.309 -3.860 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.382 -15.385 -3.342 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.897 -14.407 -1.947 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.754 -15.752 -1.718 1.00 0.00 H new ATOM 417 N ARG A 26 7.692 -15.048 0.229 1.00 0.00 N ATOM 418 CA ARG A 26 7.808 -15.918 1.387 1.00 0.00 C ATOM 419 C ARG A 26 6.652 -16.919 1.417 1.00 0.00 C ATOM 420 O ARG A 26 5.924 -17.063 0.435 1.00 0.00 O ATOM 421 CB ARG A 26 7.807 -15.109 2.685 1.00 0.00 C ATOM 422 CG ARG A 26 9.173 -15.169 3.370 1.00 0.00 C ATOM 423 CD ARG A 26 9.091 -14.646 4.806 1.00 0.00 C ATOM 424 NE ARG A 26 9.612 -15.663 5.746 1.00 0.00 N ATOM 425 CZ ARG A 26 10.914 -16.007 5.843 1.00 0.00 C ATOM 426 NH1 ARG A 26 11.839 -15.418 5.056 1.00 0.00 N ATOM 427 NH2 ARG A 26 11.269 -16.929 6.718 1.00 0.00 N ATOM 0 H ARG A 26 6.822 -15.149 -0.295 1.00 0.00 H new ATOM 0 HA ARG A 26 8.754 -16.453 1.306 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.549 -14.072 2.471 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.042 -15.496 3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.537 -16.196 3.374 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.893 -14.578 2.805 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.666 -13.724 4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.058 -14.404 5.055 1.00 0.00 H new ATOM 0 HE ARG A 26 8.946 -16.133 6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.557 -14.707 4.381 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.820 -15.684 5.136 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.564 -17.370 7.308 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.248 -17.200 6.804 1.00 0.00 H new ATOM 441 N GLU A 27 6.518 -17.587 2.553 1.00 0.00 N ATOM 442 CA GLU A 27 5.463 -18.571 2.724 1.00 0.00 C ATOM 443 C GLU A 27 4.784 -18.390 4.083 1.00 0.00 C ATOM 444 O GLU A 27 4.828 -19.284 4.927 1.00 0.00 O ATOM 445 CB GLU A 27 6.008 -19.992 2.568 1.00 0.00 C ATOM 446 CG GLU A 27 5.917 -20.457 1.113 1.00 0.00 C ATOM 447 CD GLU A 27 6.018 -21.981 1.017 1.00 0.00 C ATOM 448 OE1 GLU A 27 7.130 -22.528 1.001 1.00 0.00 O ATOM 449 OE2 GLU A 27 4.888 -22.600 0.960 1.00 0.00 O ATOM 0 H GLU A 27 7.123 -17.466 3.365 1.00 0.00 H new ATOM 0 HA GLU A 27 4.718 -18.416 1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.046 -20.026 2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.446 -20.673 3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.974 -20.123 0.679 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.716 -19.999 0.530 1.00 0.00 H new ATOM 456 N SER A 28 4.170 -17.228 4.253 1.00 0.00 N ATOM 457 CA SER A 28 3.482 -16.919 5.495 1.00 0.00 C ATOM 458 C SER A 28 1.990 -16.713 5.229 1.00 0.00 C ATOM 459 O SER A 28 1.569 -16.607 4.078 1.00 0.00 O ATOM 460 CB SER A 28 4.080 -15.678 6.161 1.00 0.00 C ATOM 461 OG SER A 28 4.515 -15.944 7.492 1.00 0.00 O ATOM 0 H SER A 28 4.135 -16.489 3.551 1.00 0.00 H new ATOM 0 HA SER A 28 3.610 -17.760 6.176 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.922 -15.319 5.569 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.337 -14.880 6.175 1.00 0.00 H new ATOM 0 HG SER A 28 4.892 -15.128 7.882 1.00 0.00 H new ATOM 467 N PRO A 29 1.210 -16.659 6.342 1.00 0.00 N ATOM 468 CA PRO A 29 -0.227 -16.467 6.241 1.00 0.00 C ATOM 469 C PRO A 29 -0.562 -15.015 5.894 1.00 0.00 C ATOM 470 O PRO A 29 0.056 -14.090 6.416 1.00 0.00 O ATOM 471 CB PRO A 29 -0.777 -16.898 7.590 1.00 0.00 C ATOM 472 CG PRO A 29 0.402 -16.874 8.549 1.00 0.00 C ATOM 473 CD PRO A 29 1.674 -16.780 7.721 1.00 0.00 C ATOM 0 HA PRO A 29 -0.675 -17.053 5.438 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.565 -16.223 7.924 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.214 -17.895 7.533 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.325 -16.025 9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.412 -17.774 9.164 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.274 -15.919 8.014 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.299 -17.664 7.853 1.00 0.00 H new ATOM 481 N LEU A 30 -1.542 -14.862 5.015 1.00 0.00 N ATOM 482 CA LEU A 30 -1.968 -13.539 4.592 1.00 0.00 C ATOM 483 C LEU A 30 -3.226 -13.141 5.365 1.00 0.00 C ATOM 484 O LEU A 30 -3.557 -11.960 5.456 1.00 0.00 O ATOM 485 CB LEU A 30 -2.139 -13.491 3.072 1.00 0.00 C ATOM 486 CG LEU A 30 -3.417 -14.126 2.521 1.00 0.00 C ATOM 487 CD1 LEU A 30 -4.414 -13.054 2.076 1.00 0.00 C ATOM 488 CD2 LEU A 30 -3.098 -15.114 1.398 1.00 0.00 C ATOM 0 H LEU A 30 -2.053 -15.633 4.584 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.202 -12.800 4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.109 -12.448 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.284 -13.988 2.614 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.890 -14.693 3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.314 -13.532 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.675 -12.425 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.964 -12.440 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.024 -15.551 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.590 -14.592 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.453 -15.904 1.781 1.00 0.00 H new ATOM 500 N VAL A 31 -3.895 -14.150 5.904 1.00 0.00 N ATOM 501 CA VAL A 31 -5.110 -13.921 6.666 1.00 0.00 C ATOM 502 C VAL A 31 -4.846 -12.854 7.730 1.00 0.00 C ATOM 503 O VAL A 31 -5.605 -11.893 7.853 1.00 0.00 O ATOM 504 CB VAL A 31 -5.615 -15.240 7.256 1.00 0.00 C ATOM 505 CG1 VAL A 31 -6.123 -15.043 8.685 1.00 0.00 C ATOM 506 CG2 VAL A 31 -6.698 -15.857 6.369 1.00 0.00 C ATOM 0 H VAL A 31 -3.618 -15.129 5.828 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.902 -13.546 6.018 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.775 -15.934 7.293 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.476 -15.996 9.080 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.313 -14.668 9.311 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.943 -14.325 8.684 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.040 -16.793 6.810 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.538 -15.167 6.286 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.289 -16.051 5.377 1.00 0.00 H new ATOM 516 N PRO A 32 -3.738 -13.063 8.491 1.00 0.00 N ATOM 517 CA PRO A 32 -3.364 -12.129 9.540 1.00 0.00 C ATOM 518 C PRO A 32 -2.760 -10.854 8.950 1.00 0.00 C ATOM 519 O PRO A 32 -3.197 -9.750 9.271 1.00 0.00 O ATOM 520 CB PRO A 32 -2.390 -12.896 10.420 1.00 0.00 C ATOM 521 CG PRO A 32 -1.898 -14.062 9.578 1.00 0.00 C ATOM 522 CD PRO A 32 -2.816 -14.188 8.374 1.00 0.00 C ATOM 0 HA PRO A 32 -4.219 -11.785 10.121 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.560 -12.261 10.730 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.879 -13.249 11.328 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.870 -13.894 9.258 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.904 -14.983 10.161 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.254 -14.144 7.441 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.349 -15.139 8.380 1.00 0.00 H new ATOM 530 N ILE A 33 -1.765 -11.048 8.097 1.00 0.00 N ATOM 531 CA ILE A 33 -1.096 -9.927 7.459 1.00 0.00 C ATOM 532 C ILE A 33 -2.144 -8.988 6.860 1.00 0.00 C ATOM 533 O ILE A 33 -2.020 -7.768 6.961 1.00 0.00 O ATOM 534 CB ILE A 33 -0.065 -10.426 6.444 1.00 0.00 C ATOM 535 CG1 ILE A 33 1.208 -9.579 6.496 1.00 0.00 C ATOM 536 CG2 ILE A 33 -0.663 -10.477 5.036 1.00 0.00 C ATOM 537 CD1 ILE A 33 2.259 -10.224 7.402 1.00 0.00 C ATOM 0 H ILE A 33 -1.406 -11.965 7.833 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.533 -9.350 8.193 1.00 0.00 H new ATOM 0 HB ILE A 33 0.215 -11.445 6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.612 -9.461 5.491 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.970 -8.580 6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.090 -10.835 4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.517 -11.154 5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.988 -9.479 4.742 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.154 -9.602 7.421 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.860 -10.318 8.412 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.513 -11.212 7.019 1.00 0.00 H new ATOM 549 N GLY A 34 -3.154 -9.591 6.250 1.00 0.00 N ATOM 550 CA GLY A 34 -4.223 -8.823 5.634 1.00 0.00 C ATOM 551 C GLY A 34 -5.070 -8.116 6.694 1.00 0.00 C ATOM 552 O GLY A 34 -5.216 -6.895 6.664 1.00 0.00 O ATOM 0 H GLY A 34 -3.255 -10.603 6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.800 -8.087 4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.854 -9.483 5.040 1.00 0.00 H new ATOM 556 N LEU A 35 -5.606 -8.914 7.606 1.00 0.00 N ATOM 557 CA LEU A 35 -6.435 -8.379 8.674 1.00 0.00 C ATOM 558 C LEU A 35 -5.735 -7.171 9.300 1.00 0.00 C ATOM 559 O LEU A 35 -6.255 -6.057 9.258 1.00 0.00 O ATOM 560 CB LEU A 35 -6.786 -9.477 9.680 1.00 0.00 C ATOM 561 CG LEU A 35 -8.269 -9.839 9.787 1.00 0.00 C ATOM 562 CD1 LEU A 35 -9.063 -8.707 10.442 1.00 0.00 C ATOM 563 CD2 LEU A 35 -8.840 -10.224 8.421 1.00 0.00 C ATOM 0 H LEU A 35 -5.483 -9.926 7.628 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.387 -8.026 8.278 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.231 -10.377 9.414 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.436 -9.166 10.664 1.00 0.00 H new ATOM 0 HG LEU A 35 -8.362 -10.713 10.432 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.114 -8.989 10.506 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.675 -8.523 11.444 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.967 -7.801 9.843 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.895 -10.477 8.526 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.734 -9.385 7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.298 -11.085 8.030 1.00 0.00 H new ATOM 575 N GLY A 36 -4.567 -7.433 9.867 1.00 0.00 N ATOM 576 CA GLY A 36 -3.791 -6.381 10.502 1.00 0.00 C ATOM 577 C GLY A 36 -3.639 -5.175 9.573 1.00 0.00 C ATOM 578 O GLY A 36 -4.104 -4.081 9.890 1.00 0.00 O ATOM 0 H GLY A 36 -4.139 -8.358 9.900 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.278 -6.073 11.427 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.806 -6.763 10.772 1.00 0.00 H new ATOM 582 N GLY A 37 -2.987 -5.415 8.445 1.00 0.00 N ATOM 583 CA GLY A 37 -2.768 -4.362 7.468 1.00 0.00 C ATOM 584 C GLY A 37 -4.073 -3.630 7.150 1.00 0.00 C ATOM 585 O GLY A 37 -4.053 -2.492 6.683 1.00 0.00 O ATOM 0 H GLY A 37 -2.603 -6.324 8.186 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.033 -3.653 7.850 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.354 -4.789 6.554 1.00 0.00 H new ATOM 589 N CYS A 38 -5.177 -4.313 7.416 1.00 0.00 N ATOM 590 CA CYS A 38 -6.489 -3.741 7.163 1.00 0.00 C ATOM 591 C CYS A 38 -6.787 -2.718 8.261 1.00 0.00 C ATOM 592 O CYS A 38 -6.946 -1.531 7.982 1.00 0.00 O ATOM 593 CB CYS A 38 -7.570 -4.821 7.081 1.00 0.00 C ATOM 594 SG CYS A 38 -8.769 -4.407 5.762 1.00 0.00 S ATOM 0 H CYS A 38 -5.190 -5.256 7.804 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.491 -3.243 6.194 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.113 -5.790 6.878 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.085 -4.906 8.038 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.681 -5.331 5.699 1.00 0.00 H new ATOM 600 N LEU A 39 -6.853 -3.216 9.487 1.00 0.00 N ATOM 601 CA LEU A 39 -7.129 -2.360 10.629 1.00 0.00 C ATOM 602 C LEU A 39 -6.274 -1.096 10.531 1.00 0.00 C ATOM 603 O LEU A 39 -6.729 -0.006 10.873 1.00 0.00 O ATOM 604 CB LEU A 39 -6.938 -3.132 11.936 1.00 0.00 C ATOM 605 CG LEU A 39 -8.183 -3.823 12.495 1.00 0.00 C ATOM 606 CD1 LEU A 39 -8.591 -5.010 11.621 1.00 0.00 C ATOM 607 CD2 LEU A 39 -7.975 -4.230 13.955 1.00 0.00 C ATOM 0 H LEU A 39 -6.720 -4.201 9.715 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.171 -2.042 10.624 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.167 -3.887 11.780 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.560 -2.442 12.690 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.008 -3.110 12.474 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.479 -5.483 12.041 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.809 -4.661 10.612 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.776 -5.733 11.586 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.875 -4.719 14.328 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.133 -4.918 14.024 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.769 -3.343 14.554 1.00 0.00 H new ATOM 619 N VAL A 40 -5.049 -1.283 10.061 1.00 0.00 N ATOM 620 CA VAL A 40 -4.126 -0.170 9.914 1.00 0.00 C ATOM 621 C VAL A 40 -4.635 0.767 8.817 1.00 0.00 C ATOM 622 O VAL A 40 -4.938 1.930 9.081 1.00 0.00 O ATOM 623 CB VAL A 40 -2.714 -0.694 9.644 1.00 0.00 C ATOM 624 CG1 VAL A 40 -1.732 0.460 9.434 1.00 0.00 C ATOM 625 CG2 VAL A 40 -2.246 -1.615 10.774 1.00 0.00 C ATOM 0 H VAL A 40 -4.674 -2.188 9.777 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.074 0.407 10.837 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.743 -1.280 8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.736 0.060 9.244 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.051 1.059 8.581 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.708 1.084 10.327 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.240 -1.974 10.558 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.240 -1.063 11.714 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.924 -2.464 10.856 1.00 0.00 H new ATOM 635 N VAL A 41 -4.713 0.227 7.610 1.00 0.00 N ATOM 636 CA VAL A 41 -5.180 1.001 6.473 1.00 0.00 C ATOM 637 C VAL A 41 -6.487 1.705 6.843 1.00 0.00 C ATOM 638 O VAL A 41 -6.519 2.927 6.986 1.00 0.00 O ATOM 639 CB VAL A 41 -5.314 0.098 5.245 1.00 0.00 C ATOM 640 CG1 VAL A 41 -5.959 0.850 4.079 1.00 0.00 C ATOM 641 CG2 VAL A 41 -3.958 -0.483 4.840 1.00 0.00 C ATOM 0 H VAL A 41 -4.461 -0.738 7.395 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.457 1.774 6.214 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.968 -0.733 5.510 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.042 0.185 3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.952 1.192 4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.343 1.709 3.815 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.082 -1.121 3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.271 0.329 4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.554 -1.072 5.664 1.00 0.00 H new ATOM 651 N ALA A 42 -7.533 0.905 6.986 1.00 0.00 N ATOM 652 CA ALA A 42 -8.839 1.437 7.337 1.00 0.00 C ATOM 653 C ALA A 42 -8.672 2.534 8.390 1.00 0.00 C ATOM 654 O ALA A 42 -9.085 3.673 8.175 1.00 0.00 O ATOM 655 CB ALA A 42 -9.741 0.299 7.819 1.00 0.00 C ATOM 0 H ALA A 42 -7.503 -0.107 6.865 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.317 1.886 6.466 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.721 0.698 8.082 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.851 -0.439 7.025 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.295 -0.174 8.694 1.00 0.00 H new ATOM 661 N ALA A 43 -8.067 2.153 9.505 1.00 0.00 N ATOM 662 CA ALA A 43 -7.841 3.091 10.592 1.00 0.00 C ATOM 663 C ALA A 43 -7.389 4.434 10.015 1.00 0.00 C ATOM 664 O ALA A 43 -8.053 5.451 10.206 1.00 0.00 O ATOM 665 CB ALA A 43 -6.821 2.503 11.569 1.00 0.00 C ATOM 0 H ALA A 43 -7.726 1.208 9.680 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.763 3.265 11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.651 3.206 12.384 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.202 1.565 11.972 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.882 2.319 11.047 1.00 0.00 H new ATOM 671 N TYR A 44 -6.261 4.394 9.321 1.00 0.00 N ATOM 672 CA TYR A 44 -5.712 5.595 8.715 1.00 0.00 C ATOM 673 C TYR A 44 -6.771 6.324 7.885 1.00 0.00 C ATOM 674 O TYR A 44 -6.990 7.520 8.065 1.00 0.00 O ATOM 675 CB TYR A 44 -4.590 5.124 7.788 1.00 0.00 C ATOM 676 CG TYR A 44 -3.184 5.332 8.356 1.00 0.00 C ATOM 677 CD1 TYR A 44 -2.853 6.529 8.958 1.00 0.00 C ATOM 678 CD2 TYR A 44 -2.248 4.321 8.268 1.00 0.00 C ATOM 679 CE1 TYR A 44 -1.531 6.724 9.493 1.00 0.00 C ATOM 680 CE2 TYR A 44 -0.926 4.517 8.803 1.00 0.00 C ATOM 681 CZ TYR A 44 -0.632 5.708 9.390 1.00 0.00 C ATOM 682 OH TYR A 44 0.617 5.892 9.895 1.00 0.00 O ATOM 0 H TYR A 44 -5.712 3.548 9.165 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.359 6.285 9.482 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.731 4.065 7.573 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.670 5.655 6.839 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.586 7.319 9.028 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.507 3.384 7.798 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.259 7.656 9.966 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.184 3.735 8.740 1.00 0.00 H new ATOM 0 HH TYR A 44 1.150 5.083 9.751 1.00 0.00 H new ATOM 692 N ARG A 45 -7.399 5.571 6.994 1.00 0.00 N ATOM 693 CA ARG A 45 -8.430 6.130 6.136 1.00 0.00 C ATOM 694 C ARG A 45 -9.433 6.935 6.966 1.00 0.00 C ATOM 695 O ARG A 45 -9.606 8.133 6.747 1.00 0.00 O ATOM 696 CB ARG A 45 -9.173 5.029 5.378 1.00 0.00 C ATOM 697 CG ARG A 45 -8.250 4.333 4.376 1.00 0.00 C ATOM 698 CD ARG A 45 -8.982 4.043 3.065 1.00 0.00 C ATOM 699 NE ARG A 45 -8.930 5.230 2.182 1.00 0.00 N ATOM 700 CZ ARG A 45 -9.763 5.436 1.141 1.00 0.00 C ATOM 701 NH1 ARG A 45 -10.723 4.535 0.842 1.00 0.00 N ATOM 702 NH2 ARG A 45 -9.626 6.532 0.418 1.00 0.00 N ATOM 0 H ARG A 45 -7.214 4.579 6.848 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.941 6.785 5.415 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.566 4.298 6.085 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.028 5.457 4.854 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.381 4.961 4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.880 3.401 4.804 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.526 3.188 2.566 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.019 3.777 3.269 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.220 5.937 2.373 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.823 3.690 1.405 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.348 4.699 0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.898 7.208 0.650 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.248 6.703 -0.372 1.00 0.00 H new ATOM 716 N ILE A 46 -10.067 6.244 7.901 1.00 0.00 N ATOM 717 CA ILE A 46 -11.048 6.879 8.765 1.00 0.00 C ATOM 718 C ILE A 46 -10.425 8.117 9.413 1.00 0.00 C ATOM 719 O ILE A 46 -10.861 9.239 9.162 1.00 0.00 O ATOM 720 CB ILE A 46 -11.606 5.872 9.773 1.00 0.00 C ATOM 721 CG1 ILE A 46 -12.271 4.693 9.060 1.00 0.00 C ATOM 722 CG2 ILE A 46 -12.555 6.554 10.761 1.00 0.00 C ATOM 723 CD1 ILE A 46 -13.525 5.143 8.308 1.00 0.00 C ATOM 0 H ILE A 46 -9.921 5.250 8.080 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.904 7.220 8.183 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.774 5.470 10.351 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.566 4.242 8.362 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -12.535 3.925 9.788 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.938 5.816 11.466 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.017 7.331 11.304 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.387 7.001 10.217 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -13.978 4.286 7.810 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.238 5.572 9.013 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.254 5.893 7.565 1.00 0.00 H new ATOM 735 N TYR A 47 -9.415 7.870 10.234 1.00 0.00 N ATOM 736 CA TYR A 47 -8.727 8.951 10.920 1.00 0.00 C ATOM 737 C TYR A 47 -8.565 10.166 10.005 1.00 0.00 C ATOM 738 O TYR A 47 -8.748 11.303 10.437 1.00 0.00 O ATOM 739 CB TYR A 47 -7.342 8.409 11.280 1.00 0.00 C ATOM 740 CG TYR A 47 -7.107 8.251 12.783 1.00 0.00 C ATOM 741 CD1 TYR A 47 -7.834 7.325 13.502 1.00 0.00 C ATOM 742 CD2 TYR A 47 -6.166 9.036 13.420 1.00 0.00 C ATOM 743 CE1 TYR A 47 -7.612 7.176 14.917 1.00 0.00 C ATOM 744 CE2 TYR A 47 -5.945 8.887 14.835 1.00 0.00 C ATOM 745 CZ TYR A 47 -6.679 7.965 15.514 1.00 0.00 C ATOM 746 OH TYR A 47 -6.469 7.824 16.850 1.00 0.00 O ATOM 0 H TYR A 47 -9.056 6.938 10.440 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.291 9.270 11.796 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.205 7.441 10.798 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.584 9.078 10.873 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.570 6.712 13.004 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -5.596 9.761 12.857 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.174 6.454 15.491 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.212 9.494 15.346 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.774 8.451 17.140 1.00 0.00 H new ATOM 756 N ARG A 48 -8.223 9.884 8.756 1.00 0.00 N ATOM 757 CA ARG A 48 -8.033 10.940 7.776 1.00 0.00 C ATOM 758 C ARG A 48 -9.367 11.623 7.467 1.00 0.00 C ATOM 759 O ARG A 48 -9.450 12.850 7.446 1.00 0.00 O ATOM 760 CB ARG A 48 -7.439 10.387 6.479 1.00 0.00 C ATOM 761 CG ARG A 48 -7.292 11.490 5.429 1.00 0.00 C ATOM 762 CD ARG A 48 -6.085 11.229 4.525 1.00 0.00 C ATOM 763 NE ARG A 48 -5.561 12.509 3.998 1.00 0.00 N ATOM 764 CZ ARG A 48 -4.923 13.432 4.749 1.00 0.00 C ATOM 765 NH1 ARG A 48 -4.724 13.224 6.068 1.00 0.00 N ATOM 766 NH2 ARG A 48 -4.496 14.541 4.174 1.00 0.00 N ATOM 0 H ARG A 48 -8.073 8.940 8.400 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.339 11.665 8.200 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.465 9.941 6.682 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.078 9.594 6.091 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.198 11.545 4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.179 12.455 5.923 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.306 10.711 5.085 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.372 10.577 3.700 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.690 12.706 3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.057 12.364 6.505 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.241 13.927 6.628 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.650 14.690 3.177 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.012 15.249 4.727 1.00 0.00 H new ATOM 780 N LEU A 49 -10.378 10.799 7.235 1.00 0.00 N ATOM 781 CA LEU A 49 -11.704 11.308 6.928 1.00 0.00 C ATOM 782 C LEU A 49 -12.238 12.085 8.133 1.00 0.00 C ATOM 783 O LEU A 49 -12.348 13.310 8.087 1.00 0.00 O ATOM 784 CB LEU A 49 -12.622 10.172 6.473 1.00 0.00 C ATOM 785 CG LEU A 49 -13.971 10.594 5.887 1.00 0.00 C ATOM 786 CD1 LEU A 49 -14.261 9.845 4.585 1.00 0.00 C ATOM 787 CD2 LEU A 49 -15.093 10.418 6.912 1.00 0.00 C ATOM 0 H LEU A 49 -10.306 9.782 7.253 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.660 12.006 6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.093 9.581 5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.807 9.518 7.325 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.921 11.655 5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -15.225 10.163 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.480 10.065 3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -14.285 8.773 4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -16.041 10.725 6.470 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.153 9.371 7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.885 11.032 7.788 1.00 0.00 H new ATOM 799 N ARG A 50 -12.556 11.342 9.183 1.00 0.00 N ATOM 800 CA ARG A 50 -13.076 11.946 10.398 1.00 0.00 C ATOM 801 C ARG A 50 -12.138 13.054 10.883 1.00 0.00 C ATOM 802 O ARG A 50 -10.973 13.101 10.493 1.00 0.00 O ATOM 803 CB ARG A 50 -13.238 10.904 11.506 1.00 0.00 C ATOM 804 CG ARG A 50 -14.670 10.893 12.044 1.00 0.00 C ATOM 805 CD ARG A 50 -14.686 11.068 13.563 1.00 0.00 C ATOM 806 NE ARG A 50 -16.025 11.517 14.007 1.00 0.00 N ATOM 807 CZ ARG A 50 -16.383 11.669 15.300 1.00 0.00 C ATOM 808 NH1 ARG A 50 -15.502 11.409 16.289 1.00 0.00 N ATOM 809 NH2 ARG A 50 -17.606 12.075 15.582 1.00 0.00 N ATOM 0 H ARG A 50 -12.464 10.327 9.217 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.054 12.368 10.166 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.983 9.917 11.121 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -12.543 11.120 12.317 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -15.244 11.693 11.576 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.155 9.954 11.777 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.430 10.126 14.048 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.932 11.796 13.861 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.721 11.725 13.291 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.558 11.095 16.062 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.780 11.526 17.263 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.265 12.269 14.828 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.892 12.195 16.554 1.00 0.00 H new ATOM 823 N SER A 51 -12.683 13.919 11.726 1.00 0.00 N ATOM 824 CA SER A 51 -11.910 15.024 12.268 1.00 0.00 C ATOM 825 C SER A 51 -11.426 15.930 11.134 1.00 0.00 C ATOM 826 O SER A 51 -11.201 15.466 10.017 1.00 0.00 O ATOM 827 CB SER A 51 -10.721 14.515 13.085 1.00 0.00 C ATOM 828 OG SER A 51 -10.788 14.938 14.445 1.00 0.00 O ATOM 0 H SER A 51 -13.650 13.877 12.047 1.00 0.00 H new ATOM 0 HA SER A 51 -12.554 15.599 12.933 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.693 13.426 13.045 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.794 14.874 12.639 1.00 0.00 H new ATOM 0 HG SER A 51 -10.013 14.592 14.934 1.00 0.00 H new ATOM 834 N ARG A 52 -11.281 17.206 11.460 1.00 0.00 N ATOM 835 CA ARG A 52 -10.827 18.181 10.483 1.00 0.00 C ATOM 836 C ARG A 52 -9.549 18.866 10.971 1.00 0.00 C ATOM 837 O ARG A 52 -8.619 19.078 10.193 1.00 0.00 O ATOM 838 CB ARG A 52 -11.899 19.242 10.226 1.00 0.00 C ATOM 839 CG ARG A 52 -12.304 19.266 8.750 1.00 0.00 C ATOM 840 CD ARG A 52 -12.733 20.670 8.322 1.00 0.00 C ATOM 841 NE ARG A 52 -14.050 20.999 8.913 1.00 0.00 N ATOM 842 CZ ARG A 52 -14.580 22.240 8.937 1.00 0.00 C ATOM 843 NH1 ARG A 52 -13.908 23.283 8.404 1.00 0.00 N ATOM 844 NH2 ARG A 52 -15.765 22.420 9.491 1.00 0.00 N ATOM 0 H ARG A 52 -11.470 17.587 12.387 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.626 17.650 9.553 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.774 19.037 10.844 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.523 20.222 10.520 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.468 18.934 8.134 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.122 18.565 8.582 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.989 21.400 8.642 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.789 20.727 7.235 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.591 20.240 9.328 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.992 23.136 7.979 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.316 24.218 8.426 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.266 21.627 9.893 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.179 23.352 9.517 1.00 0.00 H new ATOM 858 N GLY A 53 -9.543 19.193 12.255 1.00 0.00 N ATOM 859 CA GLY A 53 -8.394 19.849 12.855 1.00 0.00 C ATOM 860 C GLY A 53 -7.520 18.844 13.608 1.00 0.00 C ATOM 861 O GLY A 53 -7.532 17.653 13.301 1.00 0.00 O ATOM 0 H GLY A 53 -10.316 19.016 12.897 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.805 20.339 12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.731 20.627 13.539 1.00 0.00 H new ATOM 865 N SER A 54 -6.784 19.361 14.581 1.00 0.00 N ATOM 866 CA SER A 54 -5.906 18.524 15.381 1.00 0.00 C ATOM 867 C SER A 54 -4.838 17.886 14.491 1.00 0.00 C ATOM 868 O SER A 54 -5.136 17.425 13.390 1.00 0.00 O ATOM 869 CB SER A 54 -6.698 17.443 16.119 1.00 0.00 C ATOM 870 OG SER A 54 -6.875 17.759 17.498 1.00 0.00 O ATOM 0 H SER A 54 -6.778 20.349 14.833 1.00 0.00 H new ATOM 0 HA SER A 54 -5.420 19.153 16.127 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.673 17.322 15.647 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.179 16.489 16.029 1.00 0.00 H new ATOM 0 HG SER A 54 -7.387 17.046 17.934 1.00 0.00 H new ATOM 876 N THR A 55 -3.615 17.878 15.001 1.00 0.00 N ATOM 877 CA THR A 55 -2.501 17.303 14.267 1.00 0.00 C ATOM 878 C THR A 55 -2.582 17.687 12.788 1.00 0.00 C ATOM 879 O THR A 55 -2.889 16.850 11.941 1.00 0.00 O ATOM 880 CB THR A 55 -2.509 15.791 14.503 1.00 0.00 C ATOM 881 OG1 THR A 55 -1.615 15.281 13.517 1.00 0.00 O ATOM 882 CG2 THR A 55 -3.854 15.151 14.153 1.00 0.00 C ATOM 0 H THR A 55 -3.371 18.261 15.914 1.00 0.00 H new ATOM 0 HA THR A 55 -1.549 17.697 14.622 1.00 0.00 H new ATOM 0 HB THR A 55 -2.270 15.585 15.546 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.968 15.475 12.624 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.806 14.078 14.339 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.638 15.591 14.770 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.078 15.327 13.101 1.00 0.00 H new ATOM 890 N LYS A 56 -2.302 18.955 12.523 1.00 0.00 N ATOM 891 CA LYS A 56 -2.339 19.461 11.162 1.00 0.00 C ATOM 892 C LYS A 56 -3.778 19.415 10.644 1.00 0.00 C ATOM 893 O LYS A 56 -4.534 18.505 10.981 1.00 0.00 O ATOM 894 CB LYS A 56 -1.344 18.702 10.281 1.00 0.00 C ATOM 895 CG LYS A 56 0.097 18.996 10.703 1.00 0.00 C ATOM 896 CD LYS A 56 0.743 20.021 9.769 1.00 0.00 C ATOM 897 CE LYS A 56 1.410 21.145 10.566 1.00 0.00 C ATOM 898 NZ LYS A 56 2.787 21.381 10.077 1.00 0.00 N ATOM 0 H LYS A 56 -2.049 19.647 13.228 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.023 20.504 11.135 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.535 17.631 10.349 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.486 18.985 9.238 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.111 19.372 11.726 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.678 18.074 10.694 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.483 19.528 9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.013 20.440 9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.824 22.060 10.476 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.433 20.884 11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.009 22.395 10.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.459 20.843 10.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.862 21.071 9.087 1.00 0.00 H new ATOM 912 N MET A 57 -4.114 20.408 9.834 1.00 0.00 N ATOM 913 CA MET A 57 -5.449 20.492 9.267 1.00 0.00 C ATOM 914 C MET A 57 -5.402 20.412 7.740 1.00 0.00 C ATOM 915 O MET A 57 -6.046 19.553 7.140 1.00 0.00 O ATOM 916 CB MET A 57 -6.101 21.811 9.689 1.00 0.00 C ATOM 917 CG MET A 57 -7.594 21.815 9.355 1.00 0.00 C ATOM 918 SD MET A 57 -8.012 23.293 8.446 1.00 0.00 S ATOM 919 CE MET A 57 -8.508 24.356 9.792 1.00 0.00 C ATOM 0 H MET A 57 -3.485 21.161 9.557 1.00 0.00 H new ATOM 0 HA MET A 57 -6.035 19.651 9.639 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.964 21.963 10.760 1.00 0.00 H new ATOM 0 HB3 MET A 57 -5.609 22.642 9.184 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.846 20.933 8.766 1.00 0.00 H new ATOM 0 HG3 MET A 57 -8.180 21.764 10.272 1.00 0.00 H new ATOM 0 HE1 MET A 57 -8.803 25.329 9.398 1.00 0.00 H new ATOM 0 HE2 MET A 57 -9.350 23.907 10.319 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.674 24.482 10.482 1.00 0.00 H new ATOM 929 N SER A 58 -4.633 21.319 7.155 1.00 0.00 N ATOM 930 CA SER A 58 -4.494 21.361 5.709 1.00 0.00 C ATOM 931 C SER A 58 -5.854 21.627 5.060 1.00 0.00 C ATOM 932 O SER A 58 -6.886 21.200 5.575 1.00 0.00 O ATOM 933 CB SER A 58 -3.896 20.058 5.175 1.00 0.00 C ATOM 934 OG SER A 58 -2.580 19.832 5.670 1.00 0.00 O ATOM 0 H SER A 58 -4.100 22.030 7.656 1.00 0.00 H new ATOM 0 HA SER A 58 -3.812 22.173 5.454 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.537 19.223 5.456 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.873 20.089 4.086 1.00 0.00 H new ATOM 0 HG SER A 58 -2.234 18.990 5.307 1.00 0.00 H new ATOM 940 N ILE A 59 -5.811 22.330 3.938 1.00 0.00 N ATOM 941 CA ILE A 59 -7.026 22.658 3.213 1.00 0.00 C ATOM 942 C ILE A 59 -7.417 21.477 2.321 1.00 0.00 C ATOM 943 O ILE A 59 -8.583 21.327 1.960 1.00 0.00 O ATOM 944 CB ILE A 59 -6.858 23.974 2.451 1.00 0.00 C ATOM 945 CG1 ILE A 59 -8.088 24.271 1.591 1.00 0.00 C ATOM 946 CG2 ILE A 59 -5.569 23.969 1.626 1.00 0.00 C ATOM 947 CD1 ILE A 59 -8.145 25.751 1.208 1.00 0.00 C ATOM 0 H ILE A 59 -4.953 22.682 3.513 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.850 22.822 3.907 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.772 24.781 3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.062 23.659 0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.992 23.998 2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.474 24.916 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.714 23.837 2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.600 23.150 0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.029 25.935 0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.195 26.359 2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.251 26.015 0.642 1.00 0.00 H new ATOM 959 N HIS A 60 -6.420 20.669 1.993 1.00 0.00 N ATOM 960 CA HIS A 60 -6.645 19.507 1.151 1.00 0.00 C ATOM 961 C HIS A 60 -5.325 18.761 0.942 1.00 0.00 C ATOM 962 O HIS A 60 -4.945 18.470 -0.192 1.00 0.00 O ATOM 963 CB HIS A 60 -7.313 19.910 -0.165 1.00 0.00 C ATOM 964 CG HIS A 60 -6.602 21.021 -0.900 1.00 0.00 C ATOM 965 ND1 HIS A 60 -7.181 21.720 -1.944 1.00 0.00 N ATOM 966 CD2 HIS A 60 -5.355 21.547 -0.729 1.00 0.00 C ATOM 967 CE1 HIS A 60 -6.313 22.623 -2.376 1.00 0.00 C ATOM 968 NE2 HIS A 60 -5.182 22.514 -1.621 1.00 0.00 N ATOM 0 H HIS A 60 -5.454 20.796 2.295 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.334 18.823 1.646 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.369 19.036 -0.814 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.337 20.221 0.040 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.631 21.230 0.007 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.473 23.322 -3.184 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.341 23.082 -1.725 1.00 0.00 H new ATOM 976 N LEU A 61 -4.663 18.473 2.052 1.00 0.00 N ATOM 977 CA LEU A 61 -3.394 17.768 2.005 1.00 0.00 C ATOM 978 C LEU A 61 -2.333 18.676 1.380 1.00 0.00 C ATOM 979 O LEU A 61 -2.620 19.419 0.443 1.00 0.00 O ATOM 980 CB LEU A 61 -3.553 16.426 1.288 1.00 0.00 C ATOM 981 CG LEU A 61 -2.845 16.298 -0.062 1.00 0.00 C ATOM 982 CD1 LEU A 61 -1.401 15.826 0.119 1.00 0.00 C ATOM 983 CD2 LEU A 61 -3.630 15.389 -1.010 1.00 0.00 C ATOM 0 H LEU A 61 -4.982 18.715 2.990 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.055 17.528 3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.183 15.639 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.617 16.241 1.137 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.806 17.286 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.920 15.743 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.857 16.545 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.395 14.853 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.104 15.316 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.722 14.396 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.623 15.807 -1.175 1.00 0.00 H new ATOM 995 N ILE A 62 -1.128 18.587 1.925 1.00 0.00 N ATOM 996 CA ILE A 62 -0.023 19.392 1.433 1.00 0.00 C ATOM 997 C ILE A 62 1.176 18.485 1.149 1.00 0.00 C ATOM 998 O ILE A 62 1.508 18.233 -0.008 1.00 0.00 O ATOM 999 CB ILE A 62 0.285 20.532 2.407 1.00 0.00 C ATOM 1000 CG1 ILE A 62 -0.977 21.335 2.728 1.00 0.00 C ATOM 1001 CG2 ILE A 62 1.410 21.421 1.872 1.00 0.00 C ATOM 1002 CD1 ILE A 62 -0.749 22.258 3.926 1.00 0.00 C ATOM 0 H ILE A 62 -0.893 17.970 2.702 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.291 19.872 0.492 1.00 0.00 H new ATOM 0 HB ILE A 62 0.636 20.097 3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.267 21.926 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.801 20.654 2.940 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.609 22.223 2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.312 20.824 1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.111 21.850 0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.661 22.817 4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.483 21.662 4.799 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.060 22.953 3.701 1.00 0.00 H new ATOM 1014 N HIS A 63 1.793 18.018 2.225 1.00 0.00 N ATOM 1015 CA HIS A 63 2.947 17.145 2.106 1.00 0.00 C ATOM 1016 C HIS A 63 2.972 16.164 3.280 1.00 0.00 C ATOM 1017 O HIS A 63 2.999 14.951 3.079 1.00 0.00 O ATOM 1018 CB HIS A 63 4.236 17.961 1.988 1.00 0.00 C ATOM 1019 CG HIS A 63 4.507 18.856 3.174 1.00 0.00 C ATOM 1020 ND1 HIS A 63 5.732 18.899 3.817 1.00 0.00 N ATOM 1021 CD2 HIS A 63 3.699 19.742 3.825 1.00 0.00 C ATOM 1022 CE1 HIS A 63 5.653 19.773 4.809 1.00 0.00 C ATOM 1023 NE2 HIS A 63 4.392 20.294 4.812 1.00 0.00 N ATOM 0 H HIS A 63 1.515 18.228 3.183 1.00 0.00 H new ATOM 0 HA HIS A 63 2.871 16.559 1.190 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.076 17.278 1.862 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.185 18.573 1.088 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.670 19.957 3.578 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.447 20.028 5.495 1.00 0.00 H new ATOM 0 HE2 HIS A 63 4.040 20.993 5.466 1.00 0.00 H new ATOM 1031 N THR A 64 2.961 16.726 4.479 1.00 0.00 N ATOM 1032 CA THR A 64 2.982 15.916 5.686 1.00 0.00 C ATOM 1033 C THR A 64 4.067 14.842 5.588 1.00 0.00 C ATOM 1034 O THR A 64 4.925 14.899 4.709 1.00 0.00 O ATOM 1035 CB THR A 64 1.579 15.345 5.896 1.00 0.00 C ATOM 1036 OG1 THR A 64 0.711 16.428 5.575 1.00 0.00 O ATOM 1037 CG2 THR A 64 1.280 15.052 7.367 1.00 0.00 C ATOM 0 H THR A 64 2.938 17.733 4.641 1.00 0.00 H new ATOM 0 HA THR A 64 3.239 16.514 6.560 1.00 0.00 H new ATOM 0 HB THR A 64 1.470 14.430 5.314 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.221 16.144 5.683 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.272 14.649 7.460 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.998 14.325 7.746 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.357 15.973 7.944 1.00 0.00 H new ATOM 1045 N ARG A 65 3.994 13.887 6.504 1.00 0.00 N ATOM 1046 CA ARG A 65 4.959 12.802 6.532 1.00 0.00 C ATOM 1047 C ARG A 65 4.250 11.467 6.774 1.00 0.00 C ATOM 1048 O ARG A 65 4.532 10.479 6.099 1.00 0.00 O ATOM 1049 CB ARG A 65 6.004 13.022 7.627 1.00 0.00 C ATOM 1050 CG ARG A 65 5.430 13.858 8.773 1.00 0.00 C ATOM 1051 CD ARG A 65 5.692 15.349 8.550 1.00 0.00 C ATOM 1052 NE ARG A 65 5.121 16.136 9.665 1.00 0.00 N ATOM 1053 CZ ARG A 65 4.992 17.479 9.655 1.00 0.00 C ATOM 1054 NH1 ARG A 65 5.393 18.198 8.585 1.00 0.00 N ATOM 1055 NH2 ARG A 65 4.467 18.080 10.707 1.00 0.00 N ATOM 0 H ARG A 65 3.281 13.843 7.232 1.00 0.00 H new ATOM 0 HA ARG A 65 5.462 12.781 5.565 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.344 12.059 8.009 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.876 13.524 7.207 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.357 13.682 8.854 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.877 13.544 9.716 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.764 15.531 8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.250 15.667 7.606 1.00 0.00 H new ATOM 0 HE ARG A 65 4.805 15.632 10.493 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.797 17.726 7.776 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.292 19.213 8.586 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.166 17.530 11.511 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.363 19.095 10.715 1.00 0.00 H new ATOM 1069 N VAL A 66 3.344 11.482 7.741 1.00 0.00 N ATOM 1070 CA VAL A 66 2.593 10.286 8.080 1.00 0.00 C ATOM 1071 C VAL A 66 1.613 9.966 6.950 1.00 0.00 C ATOM 1072 O VAL A 66 1.533 8.825 6.497 1.00 0.00 O ATOM 1073 CB VAL A 66 1.904 10.467 9.435 1.00 0.00 C ATOM 1074 CG1 VAL A 66 0.641 11.320 9.297 1.00 0.00 C ATOM 1075 CG2 VAL A 66 1.586 9.114 10.073 1.00 0.00 C ATOM 0 H VAL A 66 3.113 12.303 8.300 1.00 0.00 H new ATOM 0 HA VAL A 66 3.262 9.432 8.182 1.00 0.00 H new ATOM 0 HB VAL A 66 2.593 10.994 10.095 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.170 11.434 10.273 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.906 12.302 8.906 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.054 10.833 8.613 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.097 9.271 11.034 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.924 8.549 9.417 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.510 8.556 10.223 1.00 0.00 H new ATOM 1085 N ALA A 67 0.892 10.993 6.526 1.00 0.00 N ATOM 1086 CA ALA A 67 -0.079 10.835 5.457 1.00 0.00 C ATOM 1087 C ALA A 67 0.647 10.454 4.166 1.00 0.00 C ATOM 1088 O ALA A 67 0.172 9.609 3.408 1.00 0.00 O ATOM 1089 CB ALA A 67 -0.891 12.124 5.310 1.00 0.00 C ATOM 0 H ALA A 67 0.961 11.938 6.903 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.779 10.033 5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.620 12.006 4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.411 12.335 6.244 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.221 12.951 5.073 1.00 0.00 H new ATOM 1095 N ALA A 68 1.788 11.095 3.955 1.00 0.00 N ATOM 1096 CA ALA A 68 2.585 10.833 2.768 1.00 0.00 C ATOM 1097 C ALA A 68 2.986 9.357 2.744 1.00 0.00 C ATOM 1098 O ALA A 68 2.751 8.662 1.757 1.00 0.00 O ATOM 1099 CB ALA A 68 3.797 11.767 2.751 1.00 0.00 C ATOM 0 H ALA A 68 2.179 11.795 4.586 1.00 0.00 H new ATOM 0 HA ALA A 68 2.007 11.032 1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.395 11.571 1.861 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.458 12.803 2.739 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.403 11.593 3.641 1.00 0.00 H new ATOM 1105 N GLN A 69 3.585 8.921 3.843 1.00 0.00 N ATOM 1106 CA GLN A 69 4.021 7.540 3.960 1.00 0.00 C ATOM 1107 C GLN A 69 2.832 6.592 3.796 1.00 0.00 C ATOM 1108 O GLN A 69 2.938 5.568 3.123 1.00 0.00 O ATOM 1109 CB GLN A 69 4.733 7.301 5.293 1.00 0.00 C ATOM 1110 CG GLN A 69 5.759 6.173 5.172 1.00 0.00 C ATOM 1111 CD GLN A 69 7.165 6.671 5.513 1.00 0.00 C ATOM 1112 OE1 GLN A 69 7.641 7.668 4.995 1.00 0.00 O ATOM 1113 NE2 GLN A 69 7.801 5.924 6.411 1.00 0.00 N ATOM 0 H GLN A 69 3.778 9.500 4.660 1.00 0.00 H new ATOM 0 HA GLN A 69 4.735 7.336 3.162 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.230 8.217 5.613 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.001 7.051 6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.487 5.356 5.840 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.747 5.773 4.158 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.345 5.102 6.806 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.745 6.174 6.705 1.00 0.00 H new ATOM 1122 N ALA A 70 1.726 6.967 4.422 1.00 0.00 N ATOM 1123 CA ALA A 70 0.518 6.163 4.354 1.00 0.00 C ATOM 1124 C ALA A 70 0.002 6.147 2.914 1.00 0.00 C ATOM 1125 O ALA A 70 -0.666 5.200 2.500 1.00 0.00 O ATOM 1126 CB ALA A 70 -0.517 6.712 5.338 1.00 0.00 C ATOM 0 H ALA A 70 1.641 7.817 4.979 1.00 0.00 H new ATOM 0 HA ALA A 70 0.726 5.132 4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.423 6.109 5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.113 6.675 6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.753 7.744 5.079 1.00 0.00 H new ATOM 1132 N CYS A 71 0.331 7.206 2.189 1.00 0.00 N ATOM 1133 CA CYS A 71 -0.091 7.325 0.804 1.00 0.00 C ATOM 1134 C CYS A 71 0.682 6.297 -0.024 1.00 0.00 C ATOM 1135 O CYS A 71 0.083 5.475 -0.716 1.00 0.00 O ATOM 1136 CB CYS A 71 0.104 8.747 0.274 1.00 0.00 C ATOM 1137 SG CYS A 71 -1.225 9.159 -0.916 1.00 0.00 S ATOM 0 H CYS A 71 0.885 7.989 2.535 1.00 0.00 H new ATOM 0 HA CYS A 71 -1.159 7.122 0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.096 9.457 1.101 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.077 8.833 -0.210 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.052 10.369 -1.358 1.00 0.00 H new ATOM 1143 N ALA A 72 2.001 6.376 0.074 1.00 0.00 N ATOM 1144 CA ALA A 72 2.862 5.463 -0.658 1.00 0.00 C ATOM 1145 C ALA A 72 2.597 4.031 -0.186 1.00 0.00 C ATOM 1146 O ALA A 72 2.116 3.200 -0.955 1.00 0.00 O ATOM 1147 CB ALA A 72 4.323 5.877 -0.470 1.00 0.00 C ATOM 0 H ALA A 72 2.494 7.058 0.649 1.00 0.00 H new ATOM 0 HA ALA A 72 2.646 5.505 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.969 5.192 -1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.465 6.890 -0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.577 5.844 0.589 1.00 0.00 H new ATOM 1153 N VAL A 73 2.921 3.788 1.075 1.00 0.00 N ATOM 1154 CA VAL A 73 2.723 2.471 1.658 1.00 0.00 C ATOM 1155 C VAL A 73 1.292 2.006 1.383 1.00 0.00 C ATOM 1156 O VAL A 73 1.081 0.995 0.716 1.00 0.00 O ATOM 1157 CB VAL A 73 3.066 2.502 3.148 1.00 0.00 C ATOM 1158 CG1 VAL A 73 2.697 1.180 3.823 1.00 0.00 C ATOM 1159 CG2 VAL A 73 4.544 2.835 3.364 1.00 0.00 C ATOM 0 H VAL A 73 3.319 4.480 1.710 1.00 0.00 H new ATOM 0 HA VAL A 73 3.394 1.745 1.199 1.00 0.00 H new ATOM 0 HB VAL A 73 2.474 3.291 3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.951 1.229 4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.627 1.002 3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.249 0.366 3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.761 2.851 4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.162 2.079 2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.763 3.813 2.935 1.00 0.00 H new ATOM 1169 N GLY A 74 0.345 2.768 1.911 1.00 0.00 N ATOM 1170 CA GLY A 74 -1.061 2.446 1.731 1.00 0.00 C ATOM 1171 C GLY A 74 -1.347 2.027 0.288 1.00 0.00 C ATOM 1172 O GLY A 74 -1.869 0.940 0.045 1.00 0.00 O ATOM 0 H GLY A 74 0.523 3.607 2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.343 1.641 2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.672 3.311 1.990 1.00 0.00 H new ATOM 1176 N ALA A 75 -0.993 2.912 -0.633 1.00 0.00 N ATOM 1177 CA ALA A 75 -1.206 2.648 -2.046 1.00 0.00 C ATOM 1178 C ALA A 75 -0.693 1.246 -2.380 1.00 0.00 C ATOM 1179 O ALA A 75 -1.479 0.344 -2.664 1.00 0.00 O ATOM 1180 CB ALA A 75 -0.520 3.734 -2.877 1.00 0.00 C ATOM 0 H ALA A 75 -0.560 3.813 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.269 2.676 -2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.680 3.536 -3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.940 4.707 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.549 3.734 -2.665 1.00 0.00 H new ATOM 1186 N ILE A 76 0.624 1.106 -2.336 1.00 0.00 N ATOM 1187 CA ILE A 76 1.252 -0.171 -2.631 1.00 0.00 C ATOM 1188 C ILE A 76 0.430 -1.296 -2.000 1.00 0.00 C ATOM 1189 O ILE A 76 -0.203 -2.079 -2.707 1.00 0.00 O ATOM 1190 CB ILE A 76 2.718 -0.161 -2.194 1.00 0.00 C ATOM 1191 CG1 ILE A 76 3.525 0.855 -3.006 1.00 0.00 C ATOM 1192 CG2 ILE A 76 3.322 -1.564 -2.269 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.675 1.430 -2.176 1.00 0.00 C ATOM 0 H ILE A 76 1.274 1.856 -2.100 1.00 0.00 H new ATOM 0 HA ILE A 76 1.265 -0.350 -3.706 1.00 0.00 H new ATOM 0 HB ILE A 76 2.762 0.153 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.922 0.377 -3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.872 1.662 -3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.365 -1.529 -1.953 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.767 -2.235 -1.613 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.266 -1.930 -3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.233 2.149 -2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.273 1.928 -1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.339 0.623 -1.867 1.00 0.00 H new ATOM 1205 N MET A 77 0.466 -1.342 -0.676 1.00 0.00 N ATOM 1206 CA MET A 77 -0.268 -2.358 0.058 1.00 0.00 C ATOM 1207 C MET A 77 -1.647 -2.594 -0.561 1.00 0.00 C ATOM 1208 O MET A 77 -2.127 -3.725 -0.604 1.00 0.00 O ATOM 1209 CB MET A 77 -0.430 -1.919 1.515 1.00 0.00 C ATOM 1210 CG MET A 77 -0.645 -3.126 2.430 1.00 0.00 C ATOM 1211 SD MET A 77 0.654 -3.204 3.652 1.00 0.00 S ATOM 1212 CE MET A 77 1.452 -4.722 3.159 1.00 0.00 C ATOM 0 H MET A 77 0.992 -0.691 -0.093 1.00 0.00 H new ATOM 0 HA MET A 77 0.294 -3.290 0.011 1.00 0.00 H new ATOM 0 HB2 MET A 77 0.456 -1.370 1.834 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.276 -1.237 1.601 1.00 0.00 H new ATOM 0 HG2 MET A 77 -1.615 -3.052 2.922 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.656 -4.043 1.840 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.293 -4.923 3.823 1.00 0.00 H new ATOM 0 HE2 MET A 77 0.739 -5.544 3.218 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.813 -4.627 2.135 1.00 0.00 H new ATOM 1222 N LEU A 78 -2.245 -1.506 -1.026 1.00 0.00 N ATOM 1223 CA LEU A 78 -3.559 -1.580 -1.640 1.00 0.00 C ATOM 1224 C LEU A 78 -3.477 -2.429 -2.910 1.00 0.00 C ATOM 1225 O LEU A 78 -4.005 -3.539 -2.955 1.00 0.00 O ATOM 1226 CB LEU A 78 -4.121 -0.176 -1.875 1.00 0.00 C ATOM 1227 CG LEU A 78 -5.504 0.100 -1.282 1.00 0.00 C ATOM 1228 CD1 LEU A 78 -5.507 1.404 -0.482 1.00 0.00 C ATOM 1229 CD2 LEU A 78 -6.579 0.094 -2.371 1.00 0.00 C ATOM 0 H LEU A 78 -1.843 -0.569 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.264 -2.073 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.419 0.549 -1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.166 0.001 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.744 -0.705 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.502 1.577 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.786 1.333 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.236 2.233 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.552 0.293 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.355 0.865 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.597 -0.880 -2.859 1.00 0.00 H new ATOM 1241 N GLY A 79 -2.809 -1.875 -3.912 1.00 0.00 N ATOM 1242 CA GLY A 79 -2.651 -2.568 -5.179 1.00 0.00 C ATOM 1243 C GLY A 79 -2.442 -4.068 -4.962 1.00 0.00 C ATOM 1244 O GLY A 79 -3.105 -4.889 -5.594 1.00 0.00 O ATOM 0 H GLY A 79 -2.371 -0.955 -3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.533 -2.406 -5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.801 -2.153 -5.721 1.00 0.00 H new ATOM 1248 N ALA A 80 -1.518 -4.381 -4.065 1.00 0.00 N ATOM 1249 CA ALA A 80 -1.213 -5.767 -3.756 1.00 0.00 C ATOM 1250 C ALA A 80 -2.467 -6.450 -3.205 1.00 0.00 C ATOM 1251 O ALA A 80 -3.037 -7.327 -3.853 1.00 0.00 O ATOM 1252 CB ALA A 80 -0.039 -5.827 -2.778 1.00 0.00 C ATOM 0 H ALA A 80 -0.970 -3.697 -3.542 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.914 -6.303 -4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.189 -6.867 -2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.834 -5.356 -3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.302 -5.301 -1.861 1.00 0.00 H new ATOM 1258 N VAL A 81 -2.860 -6.021 -2.014 1.00 0.00 N ATOM 1259 CA VAL A 81 -4.035 -6.580 -1.368 1.00 0.00 C ATOM 1260 C VAL A 81 -5.138 -6.780 -2.410 1.00 0.00 C ATOM 1261 O VAL A 81 -5.475 -7.912 -2.753 1.00 0.00 O ATOM 1262 CB VAL A 81 -4.468 -5.686 -0.204 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -5.926 -5.947 0.175 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.545 -5.872 1.002 1.00 0.00 C ATOM 0 H VAL A 81 -2.385 -5.293 -1.480 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.808 -7.558 -0.943 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.388 -4.649 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.208 -5.299 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.567 -5.740 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.044 -6.989 0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.874 -5.225 1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.578 -6.911 1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.524 -5.612 0.722 1.00 0.00 H new ATOM 1274 N TYR A 82 -5.669 -5.663 -2.885 1.00 0.00 N ATOM 1275 CA TYR A 82 -6.726 -5.701 -3.881 1.00 0.00 C ATOM 1276 C TYR A 82 -6.488 -6.826 -4.890 1.00 0.00 C ATOM 1277 O TYR A 82 -7.348 -7.685 -5.082 1.00 0.00 O ATOM 1278 CB TYR A 82 -6.667 -4.358 -4.610 1.00 0.00 C ATOM 1279 CG TYR A 82 -7.937 -3.516 -4.468 1.00 0.00 C ATOM 1280 CD1 TYR A 82 -8.310 -3.034 -3.230 1.00 0.00 C ATOM 1281 CD2 TYR A 82 -8.709 -3.239 -5.578 1.00 0.00 C ATOM 1282 CE1 TYR A 82 -9.505 -2.242 -3.096 1.00 0.00 C ATOM 1283 CE2 TYR A 82 -9.904 -2.447 -5.444 1.00 0.00 C ATOM 1284 CZ TYR A 82 -10.243 -1.988 -4.210 1.00 0.00 C ATOM 1285 OH TYR A 82 -11.372 -1.240 -4.083 1.00 0.00 O ATOM 0 H TYR A 82 -5.387 -4.726 -2.598 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.692 -5.878 -3.409 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.820 -3.787 -4.230 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.480 -4.539 -5.668 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.706 -3.251 -2.362 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.417 -3.616 -6.547 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.808 -1.858 -2.133 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.517 -2.223 -6.304 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.797 -1.138 -4.960 1.00 0.00 H new ATOM 1295 N THR A 83 -5.317 -6.786 -5.509 1.00 0.00 N ATOM 1296 CA THR A 83 -4.956 -7.792 -6.493 1.00 0.00 C ATOM 1297 C THR A 83 -5.208 -9.195 -5.939 1.00 0.00 C ATOM 1298 O THR A 83 -5.719 -10.063 -6.645 1.00 0.00 O ATOM 1299 CB THR A 83 -3.501 -7.552 -6.902 1.00 0.00 C ATOM 1300 OG1 THR A 83 -3.520 -6.264 -7.512 1.00 0.00 O ATOM 1301 CG2 THR A 83 -3.046 -8.488 -8.022 1.00 0.00 C ATOM 0 H THR A 83 -4.606 -6.072 -5.348 1.00 0.00 H new ATOM 0 HA THR A 83 -5.577 -7.713 -7.385 1.00 0.00 H new ATOM 0 HB THR A 83 -2.854 -7.683 -6.035 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.074 -5.618 -6.925 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.007 -8.276 -8.274 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.135 -9.522 -7.690 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.671 -8.334 -8.901 1.00 0.00 H new ATOM 1309 N MET A 84 -4.837 -9.375 -4.680 1.00 0.00 N ATOM 1310 CA MET A 84 -5.016 -10.658 -4.023 1.00 0.00 C ATOM 1311 C MET A 84 -6.491 -10.911 -3.706 1.00 0.00 C ATOM 1312 O MET A 84 -7.117 -11.787 -4.301 1.00 0.00 O ATOM 1313 CB MET A 84 -4.204 -10.686 -2.726 1.00 0.00 C ATOM 1314 CG MET A 84 -3.016 -11.644 -2.844 1.00 0.00 C ATOM 1315 SD MET A 84 -1.608 -10.788 -3.530 1.00 0.00 S ATOM 1316 CE MET A 84 -1.789 -11.224 -5.252 1.00 0.00 C ATOM 0 H MET A 84 -4.413 -8.653 -4.097 1.00 0.00 H new ATOM 0 HA MET A 84 -4.669 -11.441 -4.697 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.845 -9.683 -2.495 1.00 0.00 H new ATOM 0 HB3 MET A 84 -4.844 -10.994 -1.899 1.00 0.00 H new ATOM 0 HG2 MET A 84 -2.764 -12.047 -1.863 1.00 0.00 H new ATOM 0 HG3 MET A 84 -3.282 -12.490 -3.478 1.00 0.00 H new ATOM 0 HE1 MET A 84 -0.896 -10.922 -5.800 1.00 0.00 H new ATOM 0 HE2 MET A 84 -1.922 -12.302 -5.342 1.00 0.00 H new ATOM 0 HE3 MET A 84 -2.659 -10.715 -5.667 1.00 0.00 H new ATOM 1326 N TYR A 85 -7.005 -10.127 -2.769 1.00 0.00 N ATOM 1327 CA TYR A 85 -8.395 -10.255 -2.366 1.00 0.00 C ATOM 1328 C TYR A 85 -9.288 -10.570 -3.568 1.00 0.00 C ATOM 1329 O TYR A 85 -10.119 -11.475 -3.509 1.00 0.00 O ATOM 1330 CB TYR A 85 -8.795 -8.894 -1.792 1.00 0.00 C ATOM 1331 CG TYR A 85 -10.304 -8.645 -1.775 1.00 0.00 C ATOM 1332 CD1 TYR A 85 -11.135 -9.489 -1.067 1.00 0.00 C ATOM 1333 CD2 TYR A 85 -10.835 -7.576 -2.469 1.00 0.00 C ATOM 1334 CE1 TYR A 85 -12.556 -9.254 -1.051 1.00 0.00 C ATOM 1335 CE2 TYR A 85 -12.256 -7.341 -2.453 1.00 0.00 C ATOM 1336 CZ TYR A 85 -13.046 -8.192 -1.745 1.00 0.00 C ATOM 1337 OH TYR A 85 -14.388 -7.970 -1.730 1.00 0.00 O ATOM 0 H TYR A 85 -6.484 -9.401 -2.278 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.512 -11.064 -1.645 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.412 -8.814 -0.775 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -8.314 -8.109 -2.376 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -10.720 -10.326 -0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.185 -6.916 -3.024 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.217 -9.906 -0.500 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.684 -6.508 -2.991 1.00 0.00 H new ATOM 0 HH TYR A 85 -14.594 -7.177 -2.267 1.00 0.00 H new ATOM 1347 N SER A 86 -9.086 -9.806 -4.631 1.00 0.00 N ATOM 1348 CA SER A 86 -9.862 -9.992 -5.846 1.00 0.00 C ATOM 1349 C SER A 86 -9.471 -11.309 -6.519 1.00 0.00 C ATOM 1350 O SER A 86 -10.325 -12.158 -6.773 1.00 0.00 O ATOM 1351 CB SER A 86 -9.662 -8.822 -6.812 1.00 0.00 C ATOM 1352 OG SER A 86 -10.898 -8.346 -7.336 1.00 0.00 O ATOM 0 H SER A 86 -8.396 -9.056 -4.677 1.00 0.00 H new ATOM 0 HA SER A 86 -10.917 -10.028 -5.576 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.150 -8.010 -6.296 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.017 -9.136 -7.633 1.00 0.00 H new ATOM 0 HG SER A 86 -10.728 -7.599 -7.947 1.00 0.00 H new ATOM 1358 N ASP A 87 -8.181 -11.439 -6.790 1.00 0.00 N ATOM 1359 CA ASP A 87 -7.667 -12.639 -7.429 1.00 0.00 C ATOM 1360 C ASP A 87 -8.345 -13.867 -6.818 1.00 0.00 C ATOM 1361 O ASP A 87 -8.493 -14.892 -7.481 1.00 0.00 O ATOM 1362 CB ASP A 87 -6.159 -12.775 -7.213 1.00 0.00 C ATOM 1363 CG ASP A 87 -5.558 -14.107 -7.667 1.00 0.00 C ATOM 1364 OD1 ASP A 87 -6.003 -14.703 -8.660 1.00 0.00 O ATOM 1365 OD2 ASP A 87 -4.579 -14.538 -6.946 1.00 0.00 O ATOM 0 H ASP A 87 -7.476 -10.733 -6.579 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.873 -12.567 -8.497 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.657 -11.967 -7.745 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.945 -12.640 -6.153 1.00 0.00 H new ATOM 1370 N TYR A 88 -8.739 -13.722 -5.562 1.00 0.00 N ATOM 1371 CA TYR A 88 -9.398 -14.807 -4.854 1.00 0.00 C ATOM 1372 C TYR A 88 -10.317 -15.594 -5.791 1.00 0.00 C ATOM 1373 O TYR A 88 -10.400 -16.818 -5.701 1.00 0.00 O ATOM 1374 CB TYR A 88 -10.244 -14.147 -3.764 1.00 0.00 C ATOM 1375 CG TYR A 88 -11.052 -15.135 -2.920 1.00 0.00 C ATOM 1376 CD1 TYR A 88 -10.440 -15.828 -1.895 1.00 0.00 C ATOM 1377 CD2 TYR A 88 -12.392 -15.332 -3.183 1.00 0.00 C ATOM 1378 CE1 TYR A 88 -11.201 -16.758 -1.101 1.00 0.00 C ATOM 1379 CE2 TYR A 88 -13.153 -16.262 -2.388 1.00 0.00 C ATOM 1380 CZ TYR A 88 -12.519 -16.929 -1.387 1.00 0.00 C ATOM 1381 OH TYR A 88 -13.237 -17.807 -0.636 1.00 0.00 O ATOM 0 H TYR A 88 -8.615 -12.870 -5.016 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.664 -15.503 -4.448 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.589 -13.574 -3.107 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.928 -13.438 -4.229 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.391 -15.673 -1.689 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -12.870 -14.789 -3.985 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.735 -17.307 -0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -14.203 -16.426 -2.583 1.00 0.00 H new ATOM 0 HH TYR A 88 -14.164 -17.826 -0.952 1.00 0.00 H new ATOM 1391 N VAL A 89 -10.985 -14.859 -6.668 1.00 0.00 N ATOM 1392 CA VAL A 89 -11.895 -15.472 -7.620 1.00 0.00 C ATOM 1393 C VAL A 89 -11.269 -16.759 -8.160 1.00 0.00 C ATOM 1394 O VAL A 89 -11.576 -17.851 -7.684 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.252 -14.472 -8.721 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -11.051 -13.592 -9.073 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -12.787 -15.191 -9.961 1.00 0.00 C ATOM 0 H VAL A 89 -10.914 -13.844 -6.739 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.831 -15.745 -7.133 1.00 0.00 H new ATOM 0 HB VAL A 89 -13.042 -13.824 -8.342 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.332 -12.890 -9.858 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.733 -13.039 -8.189 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.231 -14.219 -9.423 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.033 -14.458 -10.729 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.027 -15.874 -10.342 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.682 -15.755 -9.697 1.00 0.00 H new ATOM 1407 N LYS A 90 -10.403 -16.589 -9.148 1.00 0.00 N ATOM 1408 CA LYS A 90 -9.731 -17.723 -9.759 1.00 0.00 C ATOM 1409 C LYS A 90 -10.675 -18.390 -10.762 1.00 0.00 C ATOM 1410 O LYS A 90 -11.003 -19.567 -10.623 1.00 0.00 O ATOM 1411 CB LYS A 90 -9.204 -18.675 -8.684 1.00 0.00 C ATOM 1412 CG LYS A 90 -7.828 -19.225 -9.066 1.00 0.00 C ATOM 1413 CD LYS A 90 -7.053 -19.673 -7.825 1.00 0.00 C ATOM 1414 CE LYS A 90 -5.666 -20.195 -8.204 1.00 0.00 C ATOM 1415 NZ LYS A 90 -4.680 -19.091 -8.210 1.00 0.00 N ATOM 0 H LYS A 90 -10.151 -15.682 -9.541 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.855 -17.392 -10.317 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.138 -18.152 -7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.904 -19.499 -8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -7.945 -20.066 -9.749 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.261 -18.460 -9.597 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.954 -18.837 -7.132 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.610 -20.453 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.355 -20.964 -7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.703 -20.662 -9.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.744 -19.463 -8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.970 -18.370 -8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.632 -18.663 -7.263 1.00 0.00 H new ATOM 1429 N ARG A 91 -11.084 -17.608 -11.750 1.00 0.00 N ATOM 1430 CA ARG A 91 -11.984 -18.108 -12.776 1.00 0.00 C ATOM 1431 C ARG A 91 -11.578 -17.565 -14.148 1.00 0.00 C ATOM 1432 O ARG A 91 -12.392 -17.526 -15.070 1.00 0.00 O ATOM 1433 CB ARG A 91 -13.431 -17.706 -12.484 1.00 0.00 C ATOM 1434 CG ARG A 91 -14.339 -18.935 -12.419 1.00 0.00 C ATOM 1435 CD ARG A 91 -15.296 -18.847 -11.229 1.00 0.00 C ATOM 1436 NE ARG A 91 -16.054 -20.112 -11.094 1.00 0.00 N ATOM 1437 CZ ARG A 91 -17.191 -20.388 -11.767 1.00 0.00 C ATOM 1438 NH1 ARG A 91 -17.713 -19.490 -12.629 1.00 0.00 N ATOM 1439 NH2 ARG A 91 -17.785 -21.550 -11.569 1.00 0.00 N ATOM 0 H ARG A 91 -10.809 -16.632 -11.862 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.915 -19.196 -12.776 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -13.478 -17.164 -11.539 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -13.787 -17.027 -13.259 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -14.910 -19.019 -13.344 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -13.732 -19.836 -12.336 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -14.736 -18.650 -10.315 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -15.985 -18.014 -11.367 1.00 0.00 H new ATOM 0 HE ARG A 91 -15.694 -20.819 -10.452 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -17.248 -18.594 -12.776 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -18.573 -19.707 -13.133 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -17.384 -22.223 -10.916 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -18.645 -21.775 -12.069 1.00 0.00 H new ATOM 1453 N MET A 92 -10.320 -17.160 -14.241 1.00 0.00 N ATOM 1454 CA MET A 92 -9.796 -16.622 -15.484 1.00 0.00 C ATOM 1455 C MET A 92 -8.310 -16.948 -15.640 1.00 0.00 C ATOM 1456 O MET A 92 -7.699 -17.525 -14.742 1.00 0.00 O ATOM 1457 CB MET A 92 -9.991 -15.104 -15.506 1.00 0.00 C ATOM 1458 CG MET A 92 -10.527 -14.639 -16.862 1.00 0.00 C ATOM 1459 SD MET A 92 -11.913 -13.540 -16.626 1.00 0.00 S ATOM 1460 CE MET A 92 -13.251 -14.622 -17.103 1.00 0.00 C ATOM 0 H MET A 92 -9.648 -17.194 -13.475 1.00 0.00 H new ATOM 0 HA MET A 92 -10.337 -17.079 -16.312 1.00 0.00 H new ATOM 0 HB2 MET A 92 -10.684 -14.811 -14.717 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.043 -14.609 -15.297 1.00 0.00 H new ATOM 0 HG2 MET A 92 -9.740 -14.130 -17.419 1.00 0.00 H new ATOM 0 HG3 MET A 92 -10.832 -15.500 -17.456 1.00 0.00 H new ATOM 0 HE1 MET A 92 -14.198 -14.090 -17.014 1.00 0.00 H new ATOM 0 HE2 MET A 92 -13.110 -14.942 -18.136 1.00 0.00 H new ATOM 0 HE3 MET A 92 -13.263 -15.496 -16.451 1.00 0.00 H new ATOM 1470 N ALA A 93 -7.770 -16.564 -16.788 1.00 0.00 N ATOM 1471 CA ALA A 93 -6.366 -16.809 -17.073 1.00 0.00 C ATOM 1472 C ALA A 93 -6.010 -16.190 -18.427 1.00 0.00 C ATOM 1473 O ALA A 93 -5.630 -16.900 -19.357 1.00 0.00 O ATOM 1474 CB ALA A 93 -6.090 -18.313 -17.029 1.00 0.00 C ATOM 0 H ALA A 93 -8.279 -16.085 -17.531 1.00 0.00 H new ATOM 0 HA ALA A 93 -5.734 -16.340 -16.319 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.037 -18.496 -17.243 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.331 -18.698 -16.038 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.705 -18.818 -17.774 1.00 0.00 H new ATOM 1480 N GLN A 94 -6.147 -14.874 -18.495 1.00 0.00 N ATOM 1481 CA GLN A 94 -5.844 -14.153 -19.719 1.00 0.00 C ATOM 1482 C GLN A 94 -4.359 -14.286 -20.060 1.00 0.00 C ATOM 1483 O GLN A 94 -4.000 -14.490 -21.219 1.00 0.00 O ATOM 1484 CB GLN A 94 -6.251 -12.682 -19.604 1.00 0.00 C ATOM 1485 CG GLN A 94 -5.409 -11.962 -18.548 1.00 0.00 C ATOM 1486 CD GLN A 94 -6.071 -10.650 -18.121 1.00 0.00 C ATOM 1487 OE1 GLN A 94 -6.596 -9.898 -18.926 1.00 0.00 O ATOM 1488 NE2 GLN A 94 -6.017 -10.418 -16.812 1.00 0.00 N ATOM 0 H GLN A 94 -6.464 -14.288 -17.722 1.00 0.00 H new ATOM 0 HA GLN A 94 -6.423 -14.594 -20.530 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.129 -12.190 -20.569 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.307 -12.612 -19.342 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.279 -12.607 -17.679 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.415 -11.759 -18.946 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.562 -11.089 -16.193 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -6.430 -9.569 -16.427 1.00 0.00 H new ATOM 1497 N ASP A 95 -3.535 -14.165 -19.030 1.00 0.00 N ATOM 1498 CA ASP A 95 -2.096 -14.269 -19.207 1.00 0.00 C ATOM 1499 C ASP A 95 -1.640 -13.251 -20.253 1.00 0.00 C ATOM 1500 O ASP A 95 -1.248 -13.623 -21.358 1.00 0.00 O ATOM 1501 CB ASP A 95 -1.701 -15.663 -19.699 1.00 0.00 C ATOM 1502 CG ASP A 95 -1.571 -16.723 -18.604 1.00 0.00 C ATOM 1503 OD1 ASP A 95 -2.454 -16.866 -17.745 1.00 0.00 O ATOM 1504 OD2 ASP A 95 -0.494 -17.431 -18.655 1.00 0.00 O ATOM 0 H ASP A 95 -3.836 -13.996 -18.070 1.00 0.00 H new ATOM 0 HA ASP A 95 -1.623 -14.080 -18.243 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.443 -16.000 -20.423 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -0.750 -15.589 -20.227 1.00 0.00 H new ATOM 1509 N ALA A 96 -1.706 -11.984 -19.868 1.00 0.00 N ATOM 1510 CA ALA A 96 -1.304 -10.910 -20.760 1.00 0.00 C ATOM 1511 C ALA A 96 -2.119 -10.993 -22.052 1.00 0.00 C ATOM 1512 O ALA A 96 -1.629 -11.485 -23.068 1.00 0.00 O ATOM 1513 CB ALA A 96 0.202 -10.992 -21.014 1.00 0.00 C ATOM 0 H ALA A 96 -2.032 -11.678 -18.951 1.00 0.00 H new ATOM 0 HA ALA A 96 -1.505 -9.940 -20.306 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.503 -10.186 -21.683 1.00 0.00 H new ATOM 0 HB2 ALA A 96 0.736 -10.897 -20.069 1.00 0.00 H new ATOM 0 HB3 ALA A 96 0.442 -11.952 -21.471 1.00 0.00 H new ATOM 1519 N GLY A 97 -3.348 -10.506 -21.972 1.00 0.00 N ATOM 1520 CA GLY A 97 -4.235 -10.520 -23.122 1.00 0.00 C ATOM 1521 C GLY A 97 -3.579 -9.844 -24.329 1.00 0.00 C ATOM 1522 O GLY A 97 -3.133 -10.519 -25.255 1.00 0.00 O ATOM 0 H GLY A 97 -3.751 -10.099 -21.128 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.494 -11.548 -23.373 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.165 -10.008 -22.875 1.00 0.00 H new ATOM 1526 N GLU A 98 -3.542 -8.521 -24.278 1.00 0.00 N ATOM 1527 CA GLU A 98 -2.949 -7.747 -25.355 1.00 0.00 C ATOM 1528 C GLU A 98 -1.676 -8.430 -25.860 1.00 0.00 C ATOM 1529 O GLU A 98 -1.680 -9.048 -26.924 1.00 0.00 O ATOM 1530 CB GLU A 98 -2.659 -6.313 -24.905 1.00 0.00 C ATOM 1531 CG GLU A 98 -3.522 -5.312 -25.676 1.00 0.00 C ATOM 1532 CD GLU A 98 -4.043 -4.211 -24.751 1.00 0.00 C ATOM 1533 OE1 GLU A 98 -3.437 -3.943 -23.702 1.00 0.00 O ATOM 1534 OE2 GLU A 98 -5.118 -3.623 -25.154 1.00 0.00 O ATOM 0 H GLU A 98 -3.913 -7.965 -23.507 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.663 -7.698 -26.177 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.851 -6.217 -23.836 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.604 -6.085 -25.061 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.938 -4.868 -26.482 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.362 -5.831 -26.139 1.00 0.00 H new ATOM 1541 N LYS A 99 -0.618 -8.296 -25.074 1.00 0.00 N ATOM 1542 CA LYS A 99 0.658 -8.893 -25.429 1.00 0.00 C ATOM 1543 C LYS A 99 0.809 -10.232 -24.704 1.00 0.00 C ATOM 1544 O LYS A 99 1.700 -10.394 -23.871 1.00 0.00 O ATOM 1545 CB LYS A 99 1.802 -7.914 -25.157 1.00 0.00 C ATOM 1546 CG LYS A 99 3.089 -8.368 -25.847 1.00 0.00 C ATOM 1547 CD LYS A 99 4.297 -7.588 -25.324 1.00 0.00 C ATOM 1548 CE LYS A 99 5.374 -7.456 -26.403 1.00 0.00 C ATOM 1549 NZ LYS A 99 6.663 -7.050 -25.801 1.00 0.00 N ATOM 0 H LYS A 99 -0.618 -7.783 -24.193 1.00 0.00 H new ATOM 0 HA LYS A 99 0.696 -9.103 -26.498 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.527 -6.920 -25.511 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.970 -7.835 -24.083 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.239 -9.434 -25.678 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.998 -8.225 -26.924 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.981 -6.597 -24.998 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.711 -8.094 -24.452 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.493 -8.406 -26.925 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.065 -6.720 -27.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.383 -6.965 -26.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.550 -6.133 -25.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.964 -7.766 -25.109 1.00 0.00 H new TER 1563 LYS A 99