USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 885 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 104 ASN : amide:sc= 0.0193 K(o=-8.4,f=-4) USER MOD Set 1.2: A 105 ASN : amide:sc= -8.4! C(o=-8.4!,f=-4!) USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.0752 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.04 K(o=-1,f=-0.34) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 148:sc= -0.0847 (180deg=-1.23) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.732 K(o=-0.73,f=-2.4!) USER MOD Single : A 31 SER OG : rot 72:sc= 0.991 USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.237) USER MOD Single : A 40 MET CE :methyl 145:sc= -2.07 (180deg=-4.07!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -1.53! C(o=-1.5!,f=-3.4!) USER MOD Single : A 57 CYS SG : rot 180:sc=-0.00843 USER MOD Single : A 63 MET CE :methyl -141:sc= -1.48 (180deg=-4.67!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 75:sc= 0.215 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 120:sc= -0.401 USER MOD Single : A 80 MET CE :methyl -140:sc= -3.03 (180deg=-4.86!) USER MOD Single : A 86 SER OG : rot -75:sc= 0.409 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.992 K(o=-0.99,f=-4.1!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.991 18.888 -10.895 1.00 0.00 N ATOM 2 CA GLY A 1 -11.003 17.971 -11.439 1.00 0.00 C ATOM 3 C GLY A 1 -11.670 16.706 -11.982 1.00 0.00 C ATOM 4 O GLY A 1 -12.774 16.355 -11.569 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.154 19.663 -11.569 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.883 18.379 -10.730 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.644 19.279 -9.996 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.445 18.463 -12.236 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.284 17.704 -10.664 1.00 0.00 H new ATOM 8 N SER A 2 -10.972 16.055 -12.901 1.00 0.00 N ATOM 9 CA SER A 2 -11.482 14.836 -13.506 1.00 0.00 C ATOM 10 C SER A 2 -10.338 13.846 -13.734 1.00 0.00 C ATOM 11 O SER A 2 -10.367 12.729 -13.219 1.00 0.00 O ATOM 12 CB SER A 2 -12.197 15.134 -14.825 1.00 0.00 C ATOM 13 OG SER A 2 -12.949 14.016 -15.288 1.00 0.00 O ATOM 0 H SER A 2 -10.057 16.349 -13.242 1.00 0.00 H new ATOM 0 HA SER A 2 -12.206 14.392 -12.823 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.861 15.988 -14.693 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.463 15.415 -15.580 1.00 0.00 H new ATOM 0 HG SER A 2 -13.392 14.246 -16.131 1.00 0.00 H new ATOM 19 N SER A 3 -9.357 14.292 -14.505 1.00 0.00 N ATOM 20 CA SER A 3 -8.206 13.459 -14.807 1.00 0.00 C ATOM 21 C SER A 3 -6.918 14.273 -14.660 1.00 0.00 C ATOM 22 O SER A 3 -6.965 15.491 -14.497 1.00 0.00 O ATOM 23 CB SER A 3 -8.305 12.873 -16.217 1.00 0.00 C ATOM 24 OG SER A 3 -9.319 11.876 -16.311 1.00 0.00 O ATOM 0 H SER A 3 -9.336 15.219 -14.929 1.00 0.00 H new ATOM 0 HA SER A 3 -8.188 12.631 -14.099 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.515 13.672 -16.928 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.345 12.441 -16.498 1.00 0.00 H new ATOM 0 HG SER A 3 -9.352 11.528 -17.227 1.00 0.00 H new ATOM 30 N GLY A 4 -5.799 13.566 -14.723 1.00 0.00 N ATOM 31 CA GLY A 4 -4.501 14.207 -14.599 1.00 0.00 C ATOM 32 C GLY A 4 -3.454 13.496 -15.458 1.00 0.00 C ATOM 33 O GLY A 4 -3.157 12.324 -15.237 1.00 0.00 O ATOM 0 H GLY A 4 -5.765 12.556 -14.858 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.577 15.251 -14.902 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.186 14.200 -13.555 1.00 0.00 H new ATOM 37 N SER A 5 -2.923 14.237 -16.420 1.00 0.00 N ATOM 38 CA SER A 5 -1.915 13.692 -17.314 1.00 0.00 C ATOM 39 C SER A 5 -1.319 14.809 -18.173 1.00 0.00 C ATOM 40 O SER A 5 -1.866 15.909 -18.235 1.00 0.00 O ATOM 41 CB SER A 5 -2.503 12.594 -18.203 1.00 0.00 C ATOM 42 OG SER A 5 -1.678 11.433 -18.233 1.00 0.00 O ATOM 0 H SER A 5 -3.172 15.210 -16.600 1.00 0.00 H new ATOM 0 HA SER A 5 -1.125 13.247 -16.709 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.495 12.325 -17.839 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.628 12.976 -19.216 1.00 0.00 H new ATOM 0 HG SER A 5 -2.088 10.755 -18.809 1.00 0.00 H new ATOM 48 N SER A 6 -0.206 14.487 -18.815 1.00 0.00 N ATOM 49 CA SER A 6 0.470 15.450 -19.668 1.00 0.00 C ATOM 50 C SER A 6 1.693 14.802 -20.321 1.00 0.00 C ATOM 51 O SER A 6 1.796 14.755 -21.546 1.00 0.00 O ATOM 52 CB SER A 6 0.886 16.691 -18.876 1.00 0.00 C ATOM 53 OG SER A 6 1.074 17.824 -19.720 1.00 0.00 O ATOM 0 H SER A 6 0.245 13.573 -18.762 1.00 0.00 H new ATOM 0 HA SER A 6 -0.225 15.765 -20.446 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.124 16.917 -18.130 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.810 16.484 -18.336 1.00 0.00 H new ATOM 0 HG SER A 6 1.337 18.596 -19.177 1.00 0.00 H new ATOM 59 N GLY A 7 2.590 14.319 -19.474 1.00 0.00 N ATOM 60 CA GLY A 7 3.802 13.676 -19.953 1.00 0.00 C ATOM 61 C GLY A 7 4.765 14.701 -20.554 1.00 0.00 C ATOM 62 O GLY A 7 4.564 15.164 -21.675 1.00 0.00 O ATOM 0 H GLY A 7 2.502 14.360 -18.459 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.289 13.152 -19.131 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.548 12.927 -20.703 1.00 0.00 H new ATOM 66 N ASP A 8 5.792 15.025 -19.781 1.00 0.00 N ATOM 67 CA ASP A 8 6.787 15.987 -20.223 1.00 0.00 C ATOM 68 C ASP A 8 7.887 16.099 -19.166 1.00 0.00 C ATOM 69 O ASP A 8 7.843 15.415 -18.144 1.00 0.00 O ATOM 70 CB ASP A 8 6.168 17.374 -20.410 1.00 0.00 C ATOM 71 CG ASP A 8 5.514 17.611 -21.772 1.00 0.00 C ATOM 72 OD1 ASP A 8 6.276 17.853 -22.734 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.267 17.547 -21.822 1.00 0.00 O ATOM 0 H ASP A 8 5.956 14.638 -18.852 1.00 0.00 H new ATOM 0 HA ASP A 8 7.191 15.641 -21.175 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.420 17.529 -19.633 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.944 18.125 -20.261 1.00 0.00 H new ATOM 78 N ASP A 9 8.849 16.966 -19.447 1.00 0.00 N ATOM 79 CA ASP A 9 9.958 17.176 -18.533 1.00 0.00 C ATOM 80 C ASP A 9 9.413 17.426 -17.126 1.00 0.00 C ATOM 81 O ASP A 9 8.267 17.841 -16.965 1.00 0.00 O ATOM 82 CB ASP A 9 10.787 18.395 -18.943 1.00 0.00 C ATOM 83 CG ASP A 9 11.941 18.099 -19.903 1.00 0.00 C ATOM 84 OD1 ASP A 9 11.676 18.097 -21.125 1.00 0.00 O ATOM 85 OD2 ASP A 9 13.061 17.883 -19.394 1.00 0.00 O ATOM 0 H ASP A 9 8.883 17.531 -20.295 1.00 0.00 H new ATOM 0 HA ASP A 9 10.588 16.287 -18.558 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.125 19.126 -19.408 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.192 18.859 -18.044 1.00 0.00 H new ATOM 90 N ASN A 10 10.261 17.163 -16.142 1.00 0.00 N ATOM 91 CA ASN A 10 9.879 17.355 -14.753 1.00 0.00 C ATOM 92 C ASN A 10 9.459 18.811 -14.541 1.00 0.00 C ATOM 93 O ASN A 10 8.564 19.093 -13.746 1.00 0.00 O ATOM 94 CB ASN A 10 11.050 17.059 -13.814 1.00 0.00 C ATOM 95 CG ASN A 10 12.299 17.837 -14.232 1.00 0.00 C ATOM 96 OD1 ASN A 10 12.548 18.946 -13.789 1.00 0.00 O ATOM 97 ND2 ASN A 10 13.067 17.195 -15.108 1.00 0.00 N ATOM 0 H ASN A 10 11.211 16.819 -16.279 1.00 0.00 H new ATOM 0 HA ASN A 10 9.058 16.673 -14.531 1.00 0.00 H new ATOM 0 HB2 ASN A 10 10.777 17.324 -12.792 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.264 15.990 -13.820 1.00 0.00 H new ATOM 0 HD21 ASN A 10 13.924 17.630 -15.450 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.799 16.268 -15.438 1.00 0.00 H new ATOM 104 N GLU A 11 10.126 19.698 -15.265 1.00 0.00 N ATOM 105 CA GLU A 11 9.833 21.117 -15.166 1.00 0.00 C ATOM 106 C GLU A 11 8.333 21.363 -15.336 1.00 0.00 C ATOM 107 O GLU A 11 7.704 22.000 -14.492 1.00 0.00 O ATOM 108 CB GLU A 11 10.640 21.916 -16.191 1.00 0.00 C ATOM 109 CG GLU A 11 11.580 22.905 -15.499 1.00 0.00 C ATOM 110 CD GLU A 11 11.069 24.340 -15.642 1.00 0.00 C ATOM 111 OE1 GLU A 11 10.149 24.694 -14.873 1.00 0.00 O ATOM 112 OE2 GLU A 11 11.609 25.051 -16.517 1.00 0.00 O ATOM 0 H GLU A 11 10.869 19.461 -15.923 1.00 0.00 H new ATOM 0 HA GLU A 11 10.127 21.460 -14.174 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.219 21.234 -16.815 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.962 22.455 -16.852 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.668 22.650 -14.443 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.578 22.826 -15.930 1.00 0.00 H new ATOM 119 N ARG A 12 7.802 20.845 -16.434 1.00 0.00 N ATOM 120 CA ARG A 12 6.387 21.000 -16.726 1.00 0.00 C ATOM 121 C ARG A 12 5.546 20.233 -15.703 1.00 0.00 C ATOM 122 O ARG A 12 4.517 20.726 -15.245 1.00 0.00 O ATOM 123 CB ARG A 12 6.055 20.493 -18.131 1.00 0.00 C ATOM 124 CG ARG A 12 6.663 21.403 -19.200 1.00 0.00 C ATOM 125 CD ARG A 12 6.097 21.078 -20.584 1.00 0.00 C ATOM 126 NE ARG A 12 6.536 22.098 -21.563 1.00 0.00 N ATOM 127 CZ ARG A 12 6.457 21.946 -22.892 1.00 0.00 C ATOM 128 NH1 ARG A 12 5.955 20.816 -23.409 1.00 0.00 N ATOM 129 NH2 ARG A 12 6.880 22.924 -23.704 1.00 0.00 N ATOM 0 H ARG A 12 8.326 20.318 -17.132 1.00 0.00 H new ATOM 0 HA ARG A 12 6.152 22.063 -16.671 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.433 19.478 -18.254 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.973 20.448 -18.259 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.458 22.445 -18.955 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.747 21.285 -19.210 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.432 20.090 -20.900 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.008 21.047 -20.543 1.00 0.00 H new ATOM 0 HE ARG A 12 6.923 22.971 -21.204 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.633 20.071 -22.791 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.895 20.701 -24.421 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.262 23.784 -23.311 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.820 22.809 -24.716 1.00 0.00 H new ATOM 143 N LEU A 13 6.017 19.039 -15.375 1.00 0.00 N ATOM 144 CA LEU A 13 5.321 18.199 -14.415 1.00 0.00 C ATOM 145 C LEU A 13 5.080 18.993 -13.129 1.00 0.00 C ATOM 146 O LEU A 13 4.165 19.812 -13.064 1.00 0.00 O ATOM 147 CB LEU A 13 6.084 16.891 -14.196 1.00 0.00 C ATOM 148 CG LEU A 13 6.202 15.971 -15.413 1.00 0.00 C ATOM 149 CD1 LEU A 13 7.253 14.884 -15.178 1.00 0.00 C ATOM 150 CD2 LEU A 13 4.841 15.382 -15.788 1.00 0.00 C ATOM 0 H LEU A 13 6.872 18.633 -15.757 1.00 0.00 H new ATOM 0 HA LEU A 13 4.343 17.910 -14.800 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.089 17.133 -13.850 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.595 16.338 -13.394 1.00 0.00 H new ATOM 0 HG LEU A 13 6.539 16.567 -16.261 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.317 14.244 -16.058 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.222 15.348 -14.996 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.969 14.285 -14.313 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.952 14.732 -16.656 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.451 14.805 -14.950 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.148 16.189 -16.026 1.00 0.00 H new ATOM 162 N SER A 14 5.918 18.722 -12.139 1.00 0.00 N ATOM 163 CA SER A 14 5.807 19.402 -10.859 1.00 0.00 C ATOM 164 C SER A 14 4.721 18.740 -10.008 1.00 0.00 C ATOM 165 O SER A 14 5.023 18.068 -9.023 1.00 0.00 O ATOM 166 CB SER A 14 5.500 20.888 -11.049 1.00 0.00 C ATOM 167 OG SER A 14 5.852 21.657 -9.902 1.00 0.00 O ATOM 0 H SER A 14 6.676 18.042 -12.197 1.00 0.00 H new ATOM 0 HA SER A 14 6.764 19.320 -10.344 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.043 21.262 -11.917 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.438 21.015 -11.258 1.00 0.00 H new ATOM 0 HG SER A 14 5.642 22.601 -10.064 1.00 0.00 H new ATOM 173 N LYS A 15 3.480 18.954 -10.418 1.00 0.00 N ATOM 174 CA LYS A 15 2.348 18.387 -9.706 1.00 0.00 C ATOM 175 C LYS A 15 2.228 16.901 -10.048 1.00 0.00 C ATOM 176 O LYS A 15 1.835 16.096 -9.205 1.00 0.00 O ATOM 177 CB LYS A 15 1.077 19.189 -9.994 1.00 0.00 C ATOM 178 CG LYS A 15 -0.012 18.880 -8.965 1.00 0.00 C ATOM 179 CD LYS A 15 -1.075 17.950 -9.554 1.00 0.00 C ATOM 180 CE LYS A 15 -2.457 18.607 -9.520 1.00 0.00 C ATOM 181 NZ LYS A 15 -3.295 18.106 -10.632 1.00 0.00 N ATOM 0 H LYS A 15 3.233 19.513 -11.235 1.00 0.00 H new ATOM 0 HA LYS A 15 2.503 18.455 -8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.304 20.255 -9.979 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.714 18.954 -10.995 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.435 18.416 -8.085 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.478 19.808 -8.634 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.813 17.697 -10.582 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.098 17.016 -8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.943 18.397 -8.567 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.354 19.690 -9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.229 18.561 -10.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.837 18.328 -11.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.408 17.076 -10.545 1.00 0.00 H new ATOM 195 N VAL A 16 2.573 16.582 -11.286 1.00 0.00 N ATOM 196 CA VAL A 16 2.509 15.206 -11.750 1.00 0.00 C ATOM 197 C VAL A 16 3.646 14.405 -11.114 1.00 0.00 C ATOM 198 O VAL A 16 3.424 13.316 -10.586 1.00 0.00 O ATOM 199 CB VAL A 16 2.533 15.168 -13.280 1.00 0.00 C ATOM 200 CG1 VAL A 16 2.285 13.750 -13.797 1.00 0.00 C ATOM 201 CG2 VAL A 16 1.520 16.152 -13.869 1.00 0.00 C ATOM 0 H VAL A 16 2.898 17.252 -11.983 1.00 0.00 H new ATOM 0 HA VAL A 16 1.572 14.742 -11.442 1.00 0.00 H new ATOM 0 HB VAL A 16 3.526 15.475 -13.607 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.307 13.751 -14.887 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.061 13.084 -13.419 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.310 13.403 -13.454 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.558 16.105 -14.957 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.518 15.890 -13.529 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.762 17.163 -13.541 1.00 0.00 H new ATOM 211 N GLU A 17 4.841 14.974 -11.185 1.00 0.00 N ATOM 212 CA GLU A 17 6.013 14.325 -10.623 1.00 0.00 C ATOM 213 C GLU A 17 5.749 13.917 -9.172 1.00 0.00 C ATOM 214 O GLU A 17 6.209 12.866 -8.726 1.00 0.00 O ATOM 215 CB GLU A 17 7.242 15.232 -10.722 1.00 0.00 C ATOM 216 CG GLU A 17 8.256 14.673 -11.722 1.00 0.00 C ATOM 217 CD GLU A 17 9.470 14.085 -11.000 1.00 0.00 C ATOM 218 OE1 GLU A 17 9.820 14.638 -9.934 1.00 0.00 O ATOM 219 OE2 GLU A 17 10.022 13.097 -11.529 1.00 0.00 O ATOM 0 H GLU A 17 5.022 15.877 -11.623 1.00 0.00 H new ATOM 0 HA GLU A 17 6.218 13.425 -11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.937 16.232 -11.029 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.708 15.328 -9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.784 13.904 -12.333 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.579 15.464 -12.399 1.00 0.00 H new ATOM 226 N LYS A 18 5.011 14.768 -8.476 1.00 0.00 N ATOM 227 CA LYS A 18 4.680 14.509 -7.085 1.00 0.00 C ATOM 228 C LYS A 18 3.704 13.333 -7.008 1.00 0.00 C ATOM 229 O LYS A 18 3.820 12.482 -6.128 1.00 0.00 O ATOM 230 CB LYS A 18 4.165 15.781 -6.411 1.00 0.00 C ATOM 231 CG LYS A 18 5.246 16.414 -5.532 1.00 0.00 C ATOM 232 CD LYS A 18 5.036 16.054 -4.060 1.00 0.00 C ATOM 233 CE LYS A 18 5.241 14.556 -3.827 1.00 0.00 C ATOM 234 NZ LYS A 18 5.840 14.316 -2.495 1.00 0.00 N ATOM 0 H LYS A 18 4.632 15.638 -8.849 1.00 0.00 H new ATOM 0 HA LYS A 18 5.572 14.220 -6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.845 16.495 -7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.290 15.547 -5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.229 16.073 -5.857 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.228 17.497 -5.651 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.731 16.620 -3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.030 16.339 -3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.286 14.036 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.888 14.147 -4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.499 13.408 -2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.876 14.288 -2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.567 15.083 -1.848 1.00 0.00 H new ATOM 248 N ALA A 19 2.764 13.324 -7.942 1.00 0.00 N ATOM 249 CA ALA A 19 1.768 12.267 -7.990 1.00 0.00 C ATOM 250 C ALA A 19 2.451 10.945 -8.349 1.00 0.00 C ATOM 251 O ALA A 19 2.296 9.951 -7.641 1.00 0.00 O ATOM 252 CB ALA A 19 0.670 12.645 -8.987 1.00 0.00 C ATOM 0 H ALA A 19 2.671 14.031 -8.671 1.00 0.00 H new ATOM 0 HA ALA A 19 1.295 12.141 -7.016 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.077 11.852 -9.023 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.197 13.575 -8.672 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.107 12.777 -9.977 1.00 0.00 H new ATOM 258 N ARG A 20 3.191 10.977 -9.447 1.00 0.00 N ATOM 259 CA ARG A 20 3.898 9.794 -9.908 1.00 0.00 C ATOM 260 C ARG A 20 4.671 9.154 -8.753 1.00 0.00 C ATOM 261 O ARG A 20 4.438 7.996 -8.412 1.00 0.00 O ATOM 262 CB ARG A 20 4.872 10.139 -11.036 1.00 0.00 C ATOM 263 CG ARG A 20 4.555 9.337 -12.299 1.00 0.00 C ATOM 264 CD ARG A 20 5.747 9.331 -13.259 1.00 0.00 C ATOM 265 NE ARG A 20 5.583 8.257 -14.264 1.00 0.00 N ATOM 266 CZ ARG A 20 5.923 6.978 -14.058 1.00 0.00 C ATOM 267 NH1 ARG A 20 6.449 6.605 -12.884 1.00 0.00 N ATOM 268 NH2 ARG A 20 5.738 6.071 -15.028 1.00 0.00 N ATOM 0 H ARG A 20 3.317 11.804 -10.031 1.00 0.00 H new ATOM 0 HA ARG A 20 3.156 9.091 -10.287 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.817 11.205 -11.255 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.893 9.931 -10.716 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.296 8.313 -12.029 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.685 9.765 -12.797 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.828 10.297 -13.757 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.672 9.181 -12.702 1.00 0.00 H new ATOM 0 HE ARG A 20 5.186 8.506 -15.170 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.591 7.295 -12.146 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.708 5.631 -12.728 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.338 6.355 -15.922 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.997 5.097 -14.871 1.00 0.00 H new ATOM 282 N GLN A 21 5.575 9.937 -8.183 1.00 0.00 N ATOM 283 CA GLN A 21 6.383 9.461 -7.073 1.00 0.00 C ATOM 284 C GLN A 21 5.493 8.844 -5.994 1.00 0.00 C ATOM 285 O GLN A 21 5.615 7.659 -5.686 1.00 0.00 O ATOM 286 CB GLN A 21 7.242 10.590 -6.497 1.00 0.00 C ATOM 287 CG GLN A 21 8.400 10.932 -7.436 1.00 0.00 C ATOM 288 CD GLN A 21 9.477 11.738 -6.707 1.00 0.00 C ATOM 289 OE1 GLN A 21 9.222 12.423 -5.731 1.00 0.00 O ATOM 290 NE2 GLN A 21 10.692 11.618 -7.235 1.00 0.00 N ATOM 0 H GLN A 21 5.766 10.897 -8.469 1.00 0.00 H new ATOM 0 HA GLN A 21 7.057 8.689 -7.444 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.626 11.475 -6.337 1.00 0.00 H new ATOM 0 HB3 GLN A 21 7.634 10.294 -5.524 1.00 0.00 H new ATOM 0 HG2 GLN A 21 8.834 10.014 -7.833 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.027 11.503 -8.287 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.836 11.027 -8.054 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.480 12.117 -6.821 1.00 0.00 H new ATOM 299 N LEU A 22 4.616 9.674 -5.448 1.00 0.00 N ATOM 300 CA LEU A 22 3.705 9.225 -4.409 1.00 0.00 C ATOM 301 C LEU A 22 3.137 7.857 -4.792 1.00 0.00 C ATOM 302 O LEU A 22 3.276 6.891 -4.043 1.00 0.00 O ATOM 303 CB LEU A 22 2.633 10.283 -4.142 1.00 0.00 C ATOM 304 CG LEU A 22 3.095 11.530 -3.385 1.00 0.00 C ATOM 305 CD1 LEU A 22 1.948 12.530 -3.224 1.00 0.00 C ATOM 306 CD2 LEU A 22 3.722 11.155 -2.041 1.00 0.00 C ATOM 0 H LEU A 22 4.517 10.656 -5.706 1.00 0.00 H new ATOM 0 HA LEU A 22 4.236 9.098 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.215 10.597 -5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.825 9.818 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 22 3.869 12.021 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.303 13.407 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.588 12.832 -4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.135 12.064 -2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.042 12.060 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.988 10.628 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.584 10.509 -2.209 1.00 0.00 H new ATOM 318 N ARG A 23 2.510 7.818 -5.959 1.00 0.00 N ATOM 319 CA ARG A 23 1.920 6.584 -6.450 1.00 0.00 C ATOM 320 C ARG A 23 2.882 5.414 -6.236 1.00 0.00 C ATOM 321 O ARG A 23 2.467 4.331 -5.825 1.00 0.00 O ATOM 322 CB ARG A 23 1.580 6.691 -7.938 1.00 0.00 C ATOM 323 CG ARG A 23 0.341 7.561 -8.157 1.00 0.00 C ATOM 324 CD ARG A 23 0.001 7.667 -9.645 1.00 0.00 C ATOM 325 NE ARG A 23 -1.068 8.671 -9.849 1.00 0.00 N ATOM 326 CZ ARG A 23 -1.433 9.145 -11.048 1.00 0.00 C ATOM 327 NH1 ARG A 23 -0.817 8.711 -12.156 1.00 0.00 N ATOM 328 NH2 ARG A 23 -2.413 10.055 -11.138 1.00 0.00 N ATOM 0 H ARG A 23 2.398 8.621 -6.578 1.00 0.00 H new ATOM 0 HA ARG A 23 1.001 6.410 -5.890 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.426 7.115 -8.478 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.407 5.696 -8.347 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.505 7.137 -7.616 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.514 8.556 -7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.889 7.949 -10.210 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.323 6.697 -10.023 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.557 9.024 -9.026 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.070 8.020 -12.087 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.095 9.072 -13.069 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.880 10.386 -10.294 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.691 10.416 -12.050 1.00 0.00 H new ATOM 342 N GLU A 24 4.149 5.671 -6.525 1.00 0.00 N ATOM 343 CA GLU A 24 5.174 4.652 -6.369 1.00 0.00 C ATOM 344 C GLU A 24 5.320 4.267 -4.896 1.00 0.00 C ATOM 345 O GLU A 24 5.356 3.084 -4.560 1.00 0.00 O ATOM 346 CB GLU A 24 6.509 5.125 -6.948 1.00 0.00 C ATOM 347 CG GLU A 24 6.329 5.679 -8.363 1.00 0.00 C ATOM 348 CD GLU A 24 7.495 5.269 -9.264 1.00 0.00 C ATOM 349 OE1 GLU A 24 7.555 4.068 -9.605 1.00 0.00 O ATOM 350 OE2 GLU A 24 8.301 6.167 -9.592 1.00 0.00 O ATOM 0 H GLU A 24 4.490 6.570 -6.866 1.00 0.00 H new ATOM 0 HA GLU A 24 4.867 3.767 -6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.936 5.894 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.216 4.295 -6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.393 5.313 -8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.258 6.766 -8.326 1.00 0.00 H new ATOM 357 N GLN A 25 5.400 5.288 -4.056 1.00 0.00 N ATOM 358 CA GLN A 25 5.542 5.072 -2.626 1.00 0.00 C ATOM 359 C GLN A 25 4.360 4.260 -2.093 1.00 0.00 C ATOM 360 O GLN A 25 4.550 3.223 -1.458 1.00 0.00 O ATOM 361 CB GLN A 25 5.674 6.401 -1.880 1.00 0.00 C ATOM 362 CG GLN A 25 7.131 6.673 -1.498 1.00 0.00 C ATOM 363 CD GLN A 25 7.228 7.255 -0.087 1.00 0.00 C ATOM 364 OE1 GLN A 25 7.437 6.553 0.889 1.00 0.00 O ATOM 365 NE2 GLN A 25 7.065 8.573 -0.033 1.00 0.00 N ATOM 0 H GLN A 25 5.369 6.268 -4.338 1.00 0.00 H new ATOM 0 HA GLN A 25 6.456 4.504 -2.453 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.301 7.212 -2.506 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.056 6.381 -0.982 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.704 5.748 -1.554 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.575 7.366 -2.213 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.893 9.101 -0.889 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.112 9.056 0.864 1.00 0.00 H new ATOM 374 N VAL A 26 3.165 4.761 -2.370 1.00 0.00 N ATOM 375 CA VAL A 26 1.953 4.095 -1.926 1.00 0.00 C ATOM 376 C VAL A 26 2.001 2.624 -2.345 1.00 0.00 C ATOM 377 O VAL A 26 1.829 1.733 -1.515 1.00 0.00 O ATOM 378 CB VAL A 26 0.724 4.830 -2.465 1.00 0.00 C ATOM 379 CG1 VAL A 26 -0.555 4.037 -2.189 1.00 0.00 C ATOM 380 CG2 VAL A 26 0.631 6.242 -1.884 1.00 0.00 C ATOM 0 H VAL A 26 3.011 5.621 -2.897 1.00 0.00 H new ATOM 0 HA VAL A 26 1.880 4.121 -0.839 1.00 0.00 H new ATOM 0 HB VAL A 26 0.835 4.920 -3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.413 4.582 -2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.491 3.063 -2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.674 3.901 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.251 6.742 -2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.555 6.184 -0.798 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.523 6.807 -2.156 1.00 0.00 H new ATOM 390 N ASN A 27 2.237 2.416 -3.632 1.00 0.00 N ATOM 391 CA ASN A 27 2.310 1.069 -4.171 1.00 0.00 C ATOM 392 C ASN A 27 3.229 0.221 -3.289 1.00 0.00 C ATOM 393 O ASN A 27 2.767 -0.679 -2.590 1.00 0.00 O ATOM 394 CB ASN A 27 2.887 1.073 -5.588 1.00 0.00 C ATOM 395 CG ASN A 27 3.261 -0.342 -6.032 1.00 0.00 C ATOM 396 OD1 ASN A 27 2.840 -1.333 -5.458 1.00 0.00 O ATOM 397 ND2 ASN A 27 4.074 -0.382 -7.084 1.00 0.00 N ATOM 0 H ASN A 27 2.380 3.158 -4.317 1.00 0.00 H new ATOM 0 HA ASN A 27 1.300 0.660 -4.194 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.158 1.494 -6.280 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.768 1.714 -5.624 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.382 -1.280 -7.457 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.390 0.485 -7.518 1.00 0.00 H new ATOM 404 N ASP A 28 4.514 0.538 -3.351 1.00 0.00 N ATOM 405 CA ASP A 28 5.502 -0.183 -2.567 1.00 0.00 C ATOM 406 C ASP A 28 5.033 -0.263 -1.113 1.00 0.00 C ATOM 407 O ASP A 28 5.071 -1.330 -0.503 1.00 0.00 O ATOM 408 CB ASP A 28 6.853 0.534 -2.590 1.00 0.00 C ATOM 409 CG ASP A 28 8.074 -0.388 -2.630 1.00 0.00 C ATOM 410 OD1 ASP A 28 8.410 -0.836 -3.748 1.00 0.00 O ATOM 411 OD2 ASP A 28 8.643 -0.624 -1.543 1.00 0.00 O ATOM 0 H ASP A 28 4.894 1.285 -3.933 1.00 0.00 H new ATOM 0 HA ASP A 28 5.615 -1.178 -2.998 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.884 1.191 -3.459 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.925 1.170 -1.707 1.00 0.00 H new ATOM 416 N LEU A 29 4.602 0.880 -0.600 1.00 0.00 N ATOM 417 CA LEU A 29 4.127 0.953 0.771 1.00 0.00 C ATOM 418 C LEU A 29 3.259 -0.271 1.071 1.00 0.00 C ATOM 419 O LEU A 29 3.633 -1.119 1.880 1.00 0.00 O ATOM 420 CB LEU A 29 3.419 2.285 1.023 1.00 0.00 C ATOM 421 CG LEU A 29 2.238 2.245 1.995 1.00 0.00 C ATOM 422 CD1 LEU A 29 2.678 1.741 3.371 1.00 0.00 C ATOM 423 CD2 LEU A 29 1.548 3.608 2.077 1.00 0.00 C ATOM 0 H LEU A 29 4.572 1.763 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 29 4.966 0.928 1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.152 2.997 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.064 2.671 0.068 1.00 0.00 H new ATOM 0 HG LEU A 29 1.504 1.536 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.820 1.722 4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.087 0.735 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.441 2.406 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.712 3.551 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.261 4.356 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.179 3.889 1.091 1.00 0.00 H new ATOM 435 N PHE A 30 2.116 -0.324 0.402 1.00 0.00 N ATOM 436 CA PHE A 30 1.192 -1.430 0.587 1.00 0.00 C ATOM 437 C PHE A 30 1.898 -2.773 0.390 1.00 0.00 C ATOM 438 O PHE A 30 1.805 -3.658 1.240 1.00 0.00 O ATOM 439 CB PHE A 30 0.099 -1.281 -0.473 1.00 0.00 C ATOM 440 CG PHE A 30 -0.831 -0.088 -0.245 1.00 0.00 C ATOM 441 CD1 PHE A 30 -1.223 0.238 1.016 1.00 0.00 C ATOM 442 CD2 PHE A 30 -1.265 0.648 -1.304 1.00 0.00 C ATOM 443 CE1 PHE A 30 -2.086 1.346 1.227 1.00 0.00 C ATOM 444 CE2 PHE A 30 -2.128 1.756 -1.092 1.00 0.00 C ATOM 445 CZ PHE A 30 -2.520 2.081 0.169 1.00 0.00 C ATOM 0 H PHE A 30 1.809 0.381 -0.268 1.00 0.00 H new ATOM 0 HA PHE A 30 0.784 -1.410 1.598 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.568 -1.181 -1.452 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.497 -2.194 -0.497 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.878 -0.346 1.857 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.953 0.390 -2.305 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.398 1.605 2.228 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.473 2.340 -1.932 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.176 2.923 0.330 1.00 0.00 H new ATOM 455 N SER A 31 2.586 -2.884 -0.737 1.00 0.00 N ATOM 456 CA SER A 31 3.307 -4.104 -1.056 1.00 0.00 C ATOM 457 C SER A 31 4.184 -4.520 0.127 1.00 0.00 C ATOM 458 O SER A 31 4.111 -5.658 0.589 1.00 0.00 O ATOM 459 CB SER A 31 4.162 -3.926 -2.313 1.00 0.00 C ATOM 460 OG SER A 31 3.462 -3.231 -3.341 1.00 0.00 O ATOM 0 H SER A 31 2.659 -2.149 -1.440 1.00 0.00 H new ATOM 0 HA SER A 31 2.578 -4.890 -1.253 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.070 -3.379 -2.059 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.471 -4.904 -2.682 1.00 0.00 H new ATOM 0 HG SER A 31 3.374 -2.286 -3.096 1.00 0.00 H new ATOM 466 N ARG A 32 4.991 -3.574 0.585 1.00 0.00 N ATOM 467 CA ARG A 32 5.880 -3.828 1.706 1.00 0.00 C ATOM 468 C ARG A 32 5.104 -4.446 2.870 1.00 0.00 C ATOM 469 O ARG A 32 5.292 -5.617 3.194 1.00 0.00 O ATOM 470 CB ARG A 32 6.553 -2.537 2.178 1.00 0.00 C ATOM 471 CG ARG A 32 8.072 -2.707 2.256 1.00 0.00 C ATOM 472 CD ARG A 32 8.605 -2.260 3.619 1.00 0.00 C ATOM 473 NE ARG A 32 9.603 -3.232 4.116 1.00 0.00 N ATOM 474 CZ ARG A 32 10.230 -3.129 5.296 1.00 0.00 C ATOM 475 NH1 ARG A 32 9.965 -2.096 6.107 1.00 0.00 N ATOM 476 NH2 ARG A 32 11.122 -4.059 5.664 1.00 0.00 N ATOM 0 H ARG A 32 5.048 -2.631 0.200 1.00 0.00 H new ATOM 0 HA ARG A 32 6.649 -4.523 1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.309 -1.724 1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.164 -2.257 3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.334 -3.751 2.084 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.548 -2.125 1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.058 -1.272 3.535 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.783 -2.175 4.330 1.00 0.00 H new ATOM 0 HE ARG A 32 9.828 -4.031 3.523 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.286 -1.388 5.826 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.442 -2.017 7.005 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.324 -4.845 5.046 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.599 -3.981 6.562 1.00 0.00 H new ATOM 490 N LYS A 33 4.248 -3.630 3.468 1.00 0.00 N ATOM 491 CA LYS A 33 3.442 -4.082 4.589 1.00 0.00 C ATOM 492 C LYS A 33 2.720 -5.375 4.205 1.00 0.00 C ATOM 493 O LYS A 33 2.822 -6.379 4.908 1.00 0.00 O ATOM 494 CB LYS A 33 2.502 -2.968 5.056 1.00 0.00 C ATOM 495 CG LYS A 33 3.271 -1.882 5.811 1.00 0.00 C ATOM 496 CD LYS A 33 3.933 -0.904 4.839 1.00 0.00 C ATOM 497 CE LYS A 33 4.292 0.408 5.541 1.00 0.00 C ATOM 498 NZ LYS A 33 5.044 0.140 6.787 1.00 0.00 N ATOM 0 H LYS A 33 4.095 -2.659 3.197 1.00 0.00 H new ATOM 0 HA LYS A 33 4.076 -4.313 5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.997 -2.529 4.196 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.729 -3.386 5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.592 -1.342 6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.030 -2.342 6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.833 -1.355 4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.260 -0.702 4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.889 1.032 4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.384 0.965 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.510 1.013 7.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.389 -0.192 7.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.763 -0.590 6.608 1.00 0.00 H new ATOM 512 N PHE A 34 2.007 -5.308 3.090 1.00 0.00 N ATOM 513 CA PHE A 34 1.268 -6.461 2.604 1.00 0.00 C ATOM 514 C PHE A 34 2.085 -7.745 2.769 1.00 0.00 C ATOM 515 O PHE A 34 1.538 -8.794 3.105 1.00 0.00 O ATOM 516 CB PHE A 34 1.003 -6.227 1.115 1.00 0.00 C ATOM 517 CG PHE A 34 0.337 -7.410 0.409 1.00 0.00 C ATOM 518 CD1 PHE A 34 -0.955 -7.728 0.687 1.00 0.00 C ATOM 519 CD2 PHE A 34 1.039 -8.143 -0.497 1.00 0.00 C ATOM 520 CE1 PHE A 34 -1.573 -8.826 0.031 1.00 0.00 C ATOM 521 CE2 PHE A 34 0.421 -9.240 -1.153 1.00 0.00 C ATOM 522 CZ PHE A 34 -0.872 -9.559 -0.875 1.00 0.00 C ATOM 0 H PHE A 34 1.925 -4.473 2.509 1.00 0.00 H new ATOM 0 HA PHE A 34 0.343 -6.575 3.169 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.370 -5.347 1.003 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.948 -6.006 0.619 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.512 -7.146 1.407 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.066 -7.891 -0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.600 -9.079 0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.978 -9.822 -1.873 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.342 -10.394 -1.374 1.00 0.00 H new ATOM 532 N GLY A 35 3.381 -7.619 2.525 1.00 0.00 N ATOM 533 CA GLY A 35 4.278 -8.755 2.642 1.00 0.00 C ATOM 534 C GLY A 35 4.088 -9.468 3.982 1.00 0.00 C ATOM 535 O GLY A 35 4.226 -10.688 4.066 1.00 0.00 O ATOM 0 H GLY A 35 3.831 -6.747 2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.095 -9.453 1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.311 -8.419 2.548 1.00 0.00 H new ATOM 539 N GLU A 36 3.776 -8.677 4.998 1.00 0.00 N ATOM 540 CA GLU A 36 3.566 -9.217 6.330 1.00 0.00 C ATOM 541 C GLU A 36 2.330 -10.118 6.349 1.00 0.00 C ATOM 542 O GLU A 36 2.361 -11.209 6.916 1.00 0.00 O ATOM 543 CB GLU A 36 3.441 -8.095 7.363 1.00 0.00 C ATOM 544 CG GLU A 36 4.616 -7.120 7.258 1.00 0.00 C ATOM 545 CD GLU A 36 5.842 -7.657 7.999 1.00 0.00 C ATOM 546 OE1 GLU A 36 6.403 -8.663 7.514 1.00 0.00 O ATOM 547 OE2 GLU A 36 6.191 -7.049 9.034 1.00 0.00 O ATOM 0 H GLU A 36 3.664 -7.666 4.925 1.00 0.00 H new ATOM 0 HA GLU A 36 4.435 -9.819 6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.504 -7.559 7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.406 -8.521 8.366 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.864 -6.955 6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.330 -6.154 7.674 1.00 0.00 H new ATOM 554 N ALA A 37 1.270 -9.629 5.722 1.00 0.00 N ATOM 555 CA ALA A 37 0.026 -10.377 5.659 1.00 0.00 C ATOM 556 C ALA A 37 0.297 -11.761 5.066 1.00 0.00 C ATOM 557 O ALA A 37 -0.505 -12.679 5.231 1.00 0.00 O ATOM 558 CB ALA A 37 -1.004 -9.587 4.849 1.00 0.00 C ATOM 0 H ALA A 37 1.247 -8.724 5.253 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.386 -10.522 6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.937 -10.148 4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.183 -8.624 5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.626 -9.425 3.839 1.00 0.00 H new ATOM 564 N ILE A 38 1.431 -11.867 4.387 1.00 0.00 N ATOM 565 CA ILE A 38 1.817 -13.123 3.769 1.00 0.00 C ATOM 566 C ILE A 38 3.125 -13.613 4.394 1.00 0.00 C ATOM 567 O ILE A 38 3.801 -14.474 3.833 1.00 0.00 O ATOM 568 CB ILE A 38 1.882 -12.974 2.248 1.00 0.00 C ATOM 569 CG1 ILE A 38 2.478 -11.621 1.854 1.00 0.00 C ATOM 570 CG2 ILE A 38 0.507 -13.200 1.616 1.00 0.00 C ATOM 571 CD1 ILE A 38 2.413 -11.414 0.339 1.00 0.00 C ATOM 0 H ILE A 38 2.094 -11.103 4.252 1.00 0.00 H new ATOM 0 HA ILE A 38 1.065 -13.888 3.960 1.00 0.00 H new ATOM 0 HB ILE A 38 2.547 -13.744 1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.936 -10.820 2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.514 -11.565 2.188 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.581 -13.088 0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.158 -14.205 1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.199 -12.468 2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.843 -10.445 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.976 -12.203 -0.160 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.374 -11.447 0.012 1.00 0.00 H new ATOM 583 N GLY A 39 3.441 -13.044 5.548 1.00 0.00 N ATOM 584 CA GLY A 39 4.656 -13.413 6.256 1.00 0.00 C ATOM 585 C GLY A 39 5.867 -13.379 5.322 1.00 0.00 C ATOM 586 O GLY A 39 6.891 -13.999 5.604 1.00 0.00 O ATOM 0 H GLY A 39 2.877 -12.331 6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.817 -12.730 7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.546 -14.412 6.678 1.00 0.00 H new ATOM 590 N MET A 40 5.709 -12.648 4.227 1.00 0.00 N ATOM 591 CA MET A 40 6.777 -12.526 3.250 1.00 0.00 C ATOM 592 C MET A 40 7.864 -11.569 3.742 1.00 0.00 C ATOM 593 O MET A 40 7.605 -10.708 4.582 1.00 0.00 O ATOM 594 CB MET A 40 6.203 -12.010 1.928 1.00 0.00 C ATOM 595 CG MET A 40 5.219 -13.016 1.328 1.00 0.00 C ATOM 596 SD MET A 40 6.103 -14.430 0.692 1.00 0.00 S ATOM 597 CE MET A 40 5.527 -14.421 -0.998 1.00 0.00 C ATOM 0 H MET A 40 4.858 -12.135 3.996 1.00 0.00 H new ATOM 0 HA MET A 40 7.224 -13.509 3.104 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.699 -11.058 2.093 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.014 -11.824 1.223 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.504 -13.335 2.087 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.647 -12.545 0.529 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.331 -14.748 -1.658 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.678 -15.098 -1.097 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.220 -13.412 -1.272 1.00 0.00 H new ATOM 607 N GLY A 41 9.059 -11.751 3.199 1.00 0.00 N ATOM 608 CA GLY A 41 10.187 -10.915 3.573 1.00 0.00 C ATOM 609 C GLY A 41 10.488 -9.883 2.485 1.00 0.00 C ATOM 610 O GLY A 41 11.629 -9.446 2.337 1.00 0.00 O ATOM 0 H GLY A 41 9.271 -12.466 2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.971 -10.406 4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.066 -11.538 3.742 1.00 0.00 H new ATOM 614 N PHE A 42 9.446 -9.522 1.751 1.00 0.00 N ATOM 615 CA PHE A 42 9.584 -8.549 0.681 1.00 0.00 C ATOM 616 C PHE A 42 8.223 -7.975 0.282 1.00 0.00 C ATOM 617 O PHE A 42 7.184 -8.534 0.629 1.00 0.00 O ATOM 618 CB PHE A 42 10.186 -9.285 -0.518 1.00 0.00 C ATOM 619 CG PHE A 42 9.652 -10.707 -0.707 1.00 0.00 C ATOM 620 CD1 PHE A 42 8.324 -10.912 -0.917 1.00 0.00 C ATOM 621 CD2 PHE A 42 10.505 -11.765 -0.665 1.00 0.00 C ATOM 622 CE1 PHE A 42 7.828 -12.231 -1.092 1.00 0.00 C ATOM 623 CE2 PHE A 42 10.009 -13.084 -0.840 1.00 0.00 C ATOM 624 CZ PHE A 42 8.681 -13.289 -1.050 1.00 0.00 C ATOM 0 H PHE A 42 8.502 -9.886 1.876 1.00 0.00 H new ATOM 0 HA PHE A 42 10.214 -7.722 1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.987 -8.710 -1.422 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.269 -9.327 -0.399 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.647 -10.072 -0.951 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.560 -11.602 -0.499 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.773 -12.394 -1.258 1.00 0.00 H new ATOM 0 HE2 PHE A 42 10.686 -13.924 -0.806 1.00 0.00 H new ATOM 0 HZ PHE A 42 8.304 -14.292 -1.183 1.00 0.00 H new ATOM 634 N PRO A 43 8.275 -6.837 -0.462 1.00 0.00 N ATOM 635 CA PRO A 43 7.059 -6.182 -0.912 1.00 0.00 C ATOM 636 C PRO A 43 6.418 -6.950 -2.070 1.00 0.00 C ATOM 637 O PRO A 43 6.997 -7.047 -3.151 1.00 0.00 O ATOM 638 CB PRO A 43 7.490 -4.776 -1.298 1.00 0.00 C ATOM 639 CG PRO A 43 8.996 -4.840 -1.491 1.00 0.00 C ATOM 640 CD PRO A 43 9.488 -6.147 -0.891 1.00 0.00 C ATOM 0 HA PRO A 43 6.288 -6.151 -0.142 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.993 -4.452 -2.212 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.226 -4.059 -0.520 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.248 -4.788 -2.550 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.479 -3.992 -1.006 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.041 -6.736 -1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.160 -5.969 -0.052 1.00 0.00 H new ATOM 648 N VAL A 44 5.232 -7.477 -1.804 1.00 0.00 N ATOM 649 CA VAL A 44 4.506 -8.234 -2.810 1.00 0.00 C ATOM 650 C VAL A 44 3.369 -7.375 -3.366 1.00 0.00 C ATOM 651 O VAL A 44 2.906 -6.447 -2.704 1.00 0.00 O ATOM 652 CB VAL A 44 4.021 -9.559 -2.219 1.00 0.00 C ATOM 653 CG1 VAL A 44 3.412 -10.451 -3.302 1.00 0.00 C ATOM 654 CG2 VAL A 44 5.154 -10.280 -1.487 1.00 0.00 C ATOM 0 H VAL A 44 4.755 -7.395 -0.906 1.00 0.00 H new ATOM 0 HA VAL A 44 5.160 -8.486 -3.644 1.00 0.00 H new ATOM 0 HB VAL A 44 3.241 -9.336 -1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.075 -11.387 -2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.564 -9.941 -3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.162 -10.662 -4.064 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.782 -11.219 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.966 -10.485 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.523 -9.650 -0.677 1.00 0.00 H new ATOM 664 N LYS A 45 2.951 -7.715 -4.576 1.00 0.00 N ATOM 665 CA LYS A 45 1.876 -6.986 -5.229 1.00 0.00 C ATOM 666 C LYS A 45 0.652 -6.961 -4.311 1.00 0.00 C ATOM 667 O LYS A 45 0.505 -7.819 -3.442 1.00 0.00 O ATOM 668 CB LYS A 45 1.595 -7.573 -6.613 1.00 0.00 C ATOM 669 CG LYS A 45 0.880 -8.922 -6.502 1.00 0.00 C ATOM 670 CD LYS A 45 0.162 -9.271 -7.807 1.00 0.00 C ATOM 671 CE LYS A 45 0.305 -10.759 -8.130 1.00 0.00 C ATOM 672 NZ LYS A 45 -0.983 -11.312 -8.607 1.00 0.00 N ATOM 0 H LYS A 45 3.337 -8.485 -5.122 1.00 0.00 H new ATOM 0 HA LYS A 45 2.167 -5.950 -5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.983 -6.879 -7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.532 -7.698 -7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.602 -9.702 -6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.160 -8.890 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.894 -9.013 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.574 -8.677 -8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.072 -10.900 -8.891 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.633 -11.300 -7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.868 -12.323 -8.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.706 -11.195 -7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.281 -10.807 -9.466 1.00 0.00 H new ATOM 686 N VAL A 46 -0.195 -5.967 -4.535 1.00 0.00 N ATOM 687 CA VAL A 46 -1.401 -5.819 -3.739 1.00 0.00 C ATOM 688 C VAL A 46 -2.620 -5.817 -4.664 1.00 0.00 C ATOM 689 O VAL A 46 -2.789 -4.905 -5.472 1.00 0.00 O ATOM 690 CB VAL A 46 -1.306 -4.561 -2.873 1.00 0.00 C ATOM 691 CG1 VAL A 46 -2.608 -4.323 -2.106 1.00 0.00 C ATOM 692 CG2 VAL A 46 -0.113 -4.642 -1.918 1.00 0.00 C ATOM 0 H VAL A 46 -0.070 -5.257 -5.256 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.513 -6.660 -3.055 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.148 -3.710 -3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.513 -3.423 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.429 -4.199 -2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.811 -5.177 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.068 -3.736 -1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.227 -5.508 -1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.808 -4.740 -2.493 1.00 0.00 H new ATOM 702 N PRO A 47 -3.460 -6.875 -4.510 1.00 0.00 N ATOM 703 CA PRO A 47 -4.659 -7.003 -5.321 1.00 0.00 C ATOM 704 C PRO A 47 -5.744 -6.030 -4.855 1.00 0.00 C ATOM 705 O PRO A 47 -6.707 -6.434 -4.206 1.00 0.00 O ATOM 706 CB PRO A 47 -5.071 -8.460 -5.187 1.00 0.00 C ATOM 707 CG PRO A 47 -4.365 -8.980 -3.945 1.00 0.00 C ATOM 708 CD PRO A 47 -3.292 -7.973 -3.562 1.00 0.00 C ATOM 0 HA PRO A 47 -4.489 -6.745 -6.366 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.153 -8.553 -5.089 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -4.781 -9.031 -6.069 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.075 -9.110 -3.128 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -3.920 -9.956 -4.139 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.418 -7.632 -2.534 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.296 -8.409 -3.634 1.00 0.00 H new ATOM 716 N TYR A 48 -5.550 -4.767 -5.205 1.00 0.00 N ATOM 717 CA TYR A 48 -6.500 -3.733 -4.831 1.00 0.00 C ATOM 718 C TYR A 48 -7.901 -4.062 -5.350 1.00 0.00 C ATOM 719 O TYR A 48 -8.894 -3.820 -4.665 1.00 0.00 O ATOM 720 CB TYR A 48 -6.010 -2.448 -5.500 1.00 0.00 C ATOM 721 CG TYR A 48 -4.530 -2.144 -5.255 1.00 0.00 C ATOM 722 CD1 TYR A 48 -4.102 -1.773 -3.996 1.00 0.00 C ATOM 723 CD2 TYR A 48 -3.625 -2.240 -6.292 1.00 0.00 C ATOM 724 CE1 TYR A 48 -2.709 -1.487 -3.765 1.00 0.00 C ATOM 725 CE2 TYR A 48 -2.233 -1.954 -6.061 1.00 0.00 C ATOM 726 CZ TYR A 48 -1.844 -1.592 -4.809 1.00 0.00 C ATOM 727 OH TYR A 48 -0.529 -1.322 -4.591 1.00 0.00 O ATOM 0 H TYR A 48 -4.749 -4.436 -5.743 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.561 -3.642 -3.747 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.182 -2.521 -6.574 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.607 -1.611 -5.137 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.811 -1.697 -3.185 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.961 -2.530 -7.277 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.360 -1.196 -2.785 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.514 -2.025 -6.864 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.028 -1.439 -5.425 1.00 0.00 H new ATOM 737 N ARG A 49 -7.937 -4.609 -6.557 1.00 0.00 N ATOM 738 CA ARG A 49 -9.200 -4.973 -7.176 1.00 0.00 C ATOM 739 C ARG A 49 -9.924 -6.021 -6.328 1.00 0.00 C ATOM 740 O ARG A 49 -10.982 -5.745 -5.763 1.00 0.00 O ATOM 741 CB ARG A 49 -8.983 -5.529 -8.585 1.00 0.00 C ATOM 742 CG ARG A 49 -10.316 -5.894 -9.242 1.00 0.00 C ATOM 743 CD ARG A 49 -10.678 -4.891 -10.339 1.00 0.00 C ATOM 744 NE ARG A 49 -10.537 -5.524 -11.670 1.00 0.00 N ATOM 745 CZ ARG A 49 -10.792 -4.901 -12.828 1.00 0.00 C ATOM 746 NH1 ARG A 49 -11.203 -3.626 -12.828 1.00 0.00 N ATOM 747 NH2 ARG A 49 -10.637 -5.554 -13.988 1.00 0.00 N ATOM 0 H ARG A 49 -7.112 -4.809 -7.122 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.808 -4.071 -7.243 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.463 -4.790 -9.195 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.344 -6.410 -8.537 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.254 -6.896 -9.666 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.103 -5.915 -8.489 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.701 -4.541 -10.200 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.030 -4.017 -10.272 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.226 -6.495 -11.707 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.322 -3.129 -11.946 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.397 -3.153 -13.710 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.325 -6.525 -13.989 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.831 -5.080 -14.870 1.00 0.00 H new ATOM 761 N LYS A 50 -9.326 -7.201 -6.265 1.00 0.00 N ATOM 762 CA LYS A 50 -9.901 -8.292 -5.496 1.00 0.00 C ATOM 763 C LYS A 50 -10.279 -7.784 -4.103 1.00 0.00 C ATOM 764 O LYS A 50 -11.261 -8.238 -3.518 1.00 0.00 O ATOM 765 CB LYS A 50 -8.952 -9.492 -5.476 1.00 0.00 C ATOM 766 CG LYS A 50 -9.434 -10.589 -6.427 1.00 0.00 C ATOM 767 CD LYS A 50 -8.619 -11.871 -6.244 1.00 0.00 C ATOM 768 CE LYS A 50 -9.531 -13.098 -6.197 1.00 0.00 C ATOM 769 NZ LYS A 50 -9.889 -13.531 -7.566 1.00 0.00 N ATOM 0 H LYS A 50 -8.449 -7.426 -6.734 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.818 -8.648 -5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.950 -9.172 -5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.883 -9.889 -4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.489 -10.795 -6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.350 -10.244 -7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.907 -11.974 -7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.039 -11.809 -5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.030 -13.911 -5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.435 -12.865 -5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.508 -14.365 -7.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.386 -12.760 -8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.024 -13.773 -8.091 1.00 0.00 H new ATOM 783 N ILE A 51 -9.480 -6.847 -3.612 1.00 0.00 N ATOM 784 CA ILE A 51 -9.719 -6.273 -2.300 1.00 0.00 C ATOM 785 C ILE A 51 -10.874 -5.274 -2.388 1.00 0.00 C ATOM 786 O ILE A 51 -11.638 -5.117 -1.436 1.00 0.00 O ATOM 787 CB ILE A 51 -8.430 -5.673 -1.735 1.00 0.00 C ATOM 788 CG1 ILE A 51 -7.608 -6.734 -0.999 1.00 0.00 C ATOM 789 CG2 ILE A 51 -8.730 -4.464 -0.847 1.00 0.00 C ATOM 790 CD1 ILE A 51 -6.158 -6.739 -1.486 1.00 0.00 C ATOM 0 H ILE A 51 -8.667 -6.472 -4.100 1.00 0.00 H new ATOM 0 HA ILE A 51 -10.019 -7.048 -1.594 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.825 -5.317 -2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.635 -6.541 0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.052 -7.717 -1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.796 -4.057 -0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.243 -3.701 -1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.365 -4.771 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.596 -7.502 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.134 -6.957 -2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.710 -5.762 -1.305 1.00 0.00 H new ATOM 802 N THR A 52 -10.967 -4.624 -3.539 1.00 0.00 N ATOM 803 CA THR A 52 -12.016 -3.645 -3.763 1.00 0.00 C ATOM 804 C THR A 52 -13.387 -4.324 -3.768 1.00 0.00 C ATOM 805 O THR A 52 -14.247 -4.001 -2.949 1.00 0.00 O ATOM 806 CB THR A 52 -11.701 -2.904 -5.064 1.00 0.00 C ATOM 807 OG1 THR A 52 -11.505 -1.553 -4.655 1.00 0.00 O ATOM 808 CG2 THR A 52 -12.904 -2.837 -6.007 1.00 0.00 C ATOM 0 H THR A 52 -10.332 -4.757 -4.326 1.00 0.00 H new ATOM 0 HA THR A 52 -12.053 -2.914 -2.956 1.00 0.00 H new ATOM 0 HB THR A 52 -10.871 -3.397 -5.570 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.294 -1.002 -5.437 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.626 -2.301 -6.914 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.221 -3.848 -6.265 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.724 -2.315 -5.514 1.00 0.00 H new ATOM 816 N ILE A 53 -13.549 -5.252 -4.699 1.00 0.00 N ATOM 817 CA ILE A 53 -14.801 -5.979 -4.821 1.00 0.00 C ATOM 818 C ILE A 53 -15.206 -6.523 -3.450 1.00 0.00 C ATOM 819 O ILE A 53 -16.325 -6.295 -2.992 1.00 0.00 O ATOM 820 CB ILE A 53 -14.692 -7.057 -5.902 1.00 0.00 C ATOM 821 CG1 ILE A 53 -13.567 -8.044 -5.581 1.00 0.00 C ATOM 822 CG2 ILE A 53 -14.525 -6.429 -7.287 1.00 0.00 C ATOM 823 CD1 ILE A 53 -13.190 -8.865 -6.815 1.00 0.00 C ATOM 0 H ILE A 53 -12.834 -5.517 -5.376 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.598 -5.311 -5.148 1.00 0.00 H new ATOM 0 HB ILE A 53 -15.623 -7.623 -5.915 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.694 -7.501 -5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.881 -8.711 -4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.450 -7.216 -8.037 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.387 -5.799 -7.507 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.619 -5.823 -7.305 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.389 -9.558 -6.560 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -14.059 -9.426 -7.158 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.853 -8.197 -7.608 1.00 0.00 H new ATOM 835 N ASN A 54 -14.273 -7.233 -2.831 1.00 0.00 N ATOM 836 CA ASN A 54 -14.518 -7.811 -1.521 1.00 0.00 C ATOM 837 C ASN A 54 -13.182 -8.046 -0.814 1.00 0.00 C ATOM 838 O ASN A 54 -12.356 -8.827 -1.284 1.00 0.00 O ATOM 839 CB ASN A 54 -15.235 -9.158 -1.639 1.00 0.00 C ATOM 840 CG ASN A 54 -14.800 -9.901 -2.903 1.00 0.00 C ATOM 841 OD1 ASN A 54 -15.549 -10.049 -3.855 1.00 0.00 O ATOM 842 ND2 ASN A 54 -13.553 -10.359 -2.860 1.00 0.00 N ATOM 0 H ASN A 54 -13.346 -7.421 -3.213 1.00 0.00 H new ATOM 0 HA ASN A 54 -15.143 -7.118 -0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.018 -9.768 -0.762 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.313 -9.000 -1.659 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.169 -10.869 -3.656 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.980 -10.200 -2.032 1.00 0.00 H new ATOM 849 N PRO A 55 -13.007 -7.338 0.334 1.00 0.00 N ATOM 850 CA PRO A 55 -11.785 -7.462 1.111 1.00 0.00 C ATOM 851 C PRO A 55 -11.757 -8.784 1.881 1.00 0.00 C ATOM 852 O PRO A 55 -10.687 -9.279 2.232 1.00 0.00 O ATOM 853 CB PRO A 55 -11.772 -6.245 2.021 1.00 0.00 C ATOM 854 CG PRO A 55 -13.203 -5.733 2.052 1.00 0.00 C ATOM 855 CD PRO A 55 -13.964 -6.404 0.921 1.00 0.00 C ATOM 0 HA PRO A 55 -10.891 -7.486 0.488 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.430 -6.509 3.022 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.092 -5.482 1.643 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.668 -5.959 3.011 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.223 -4.649 1.935 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -14.848 -6.923 1.292 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -14.307 -5.675 0.187 1.00 0.00 H new ATOM 863 N GLY A 56 -12.946 -9.318 2.121 1.00 0.00 N ATOM 864 CA GLY A 56 -13.071 -10.573 2.843 1.00 0.00 C ATOM 865 C GLY A 56 -11.728 -11.304 2.909 1.00 0.00 C ATOM 866 O GLY A 56 -11.189 -11.522 3.992 1.00 0.00 O ATOM 0 H GLY A 56 -13.831 -8.904 1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -13.435 -10.381 3.852 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.810 -11.207 2.353 1.00 0.00 H new ATOM 870 N CYS A 57 -11.227 -11.662 1.735 1.00 0.00 N ATOM 871 CA CYS A 57 -9.958 -12.363 1.646 1.00 0.00 C ATOM 872 C CYS A 57 -8.904 -11.547 2.397 1.00 0.00 C ATOM 873 O CYS A 57 -8.576 -11.855 3.542 1.00 0.00 O ATOM 874 CB CYS A 57 -9.554 -12.618 0.193 1.00 0.00 C ATOM 875 SG CYS A 57 -10.809 -13.664 -0.632 1.00 0.00 S ATOM 0 H CYS A 57 -11.677 -11.479 0.838 1.00 0.00 H new ATOM 0 HA CYS A 57 -10.050 -13.347 2.107 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -9.453 -11.671 -0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -8.581 -13.108 0.158 1.00 0.00 H new ATOM 0 HG CYS A 57 -10.457 -13.873 -1.866 1.00 0.00 H new ATOM 881 N VAL A 58 -8.403 -10.523 1.722 1.00 0.00 N ATOM 882 CA VAL A 58 -7.393 -9.661 2.311 1.00 0.00 C ATOM 883 C VAL A 58 -8.048 -8.357 2.773 1.00 0.00 C ATOM 884 O VAL A 58 -8.751 -7.705 2.003 1.00 0.00 O ATOM 885 CB VAL A 58 -6.252 -9.437 1.317 1.00 0.00 C ATOM 886 CG1 VAL A 58 -5.439 -8.194 1.687 1.00 0.00 C ATOM 887 CG2 VAL A 58 -5.354 -10.672 1.226 1.00 0.00 C ATOM 0 H VAL A 58 -8.678 -10.271 0.773 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.953 -10.133 3.189 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.692 -9.270 0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.634 -8.057 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.088 -7.318 1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.015 -8.320 2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.551 -10.486 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.927 -10.884 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.943 -11.527 0.894 1.00 0.00 H new ATOM 897 N VAL A 59 -7.794 -8.017 4.028 1.00 0.00 N ATOM 898 CA VAL A 59 -8.351 -6.804 4.602 1.00 0.00 C ATOM 899 C VAL A 59 -7.258 -5.736 4.684 1.00 0.00 C ATOM 900 O VAL A 59 -6.078 -6.036 4.508 1.00 0.00 O ATOM 901 CB VAL A 59 -8.989 -7.111 5.958 1.00 0.00 C ATOM 902 CG1 VAL A 59 -9.555 -5.841 6.597 1.00 0.00 C ATOM 903 CG2 VAL A 59 -10.070 -8.186 5.824 1.00 0.00 C ATOM 0 H VAL A 59 -7.210 -8.560 4.664 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.144 -6.410 3.967 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.211 -7.499 6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.003 -6.087 7.560 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.752 -5.119 6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.314 -5.412 5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.508 -8.386 6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.847 -7.838 5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.627 -9.101 5.431 1.00 0.00 H new ATOM 913 N VAL A 60 -7.689 -4.512 4.951 1.00 0.00 N ATOM 914 CA VAL A 60 -6.762 -3.399 5.059 1.00 0.00 C ATOM 915 C VAL A 60 -7.125 -2.555 6.282 1.00 0.00 C ATOM 916 O VAL A 60 -8.291 -2.223 6.489 1.00 0.00 O ATOM 917 CB VAL A 60 -6.758 -2.593 3.757 1.00 0.00 C ATOM 918 CG1 VAL A 60 -5.933 -1.314 3.907 1.00 0.00 C ATOM 919 CG2 VAL A 60 -6.248 -3.441 2.590 1.00 0.00 C ATOM 0 H VAL A 60 -8.668 -4.267 5.096 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.745 -3.762 5.205 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.786 -2.304 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.946 -0.760 2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.359 -0.697 4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.905 -1.572 4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.255 -2.845 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.231 -3.773 2.799 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.894 -4.309 2.462 1.00 0.00 H new ATOM 929 N ASP A 61 -6.103 -2.232 7.063 1.00 0.00 N ATOM 930 CA ASP A 61 -6.300 -1.434 8.260 1.00 0.00 C ATOM 931 C ASP A 61 -5.271 -0.302 8.288 1.00 0.00 C ATOM 932 O ASP A 61 -4.346 -0.279 7.478 1.00 0.00 O ATOM 933 CB ASP A 61 -6.109 -2.277 9.522 1.00 0.00 C ATOM 934 CG ASP A 61 -5.720 -1.489 10.775 1.00 0.00 C ATOM 935 OD1 ASP A 61 -4.508 -1.221 10.923 1.00 0.00 O ATOM 936 OD2 ASP A 61 -6.643 -1.173 11.555 1.00 0.00 O ATOM 0 H ASP A 61 -5.137 -2.509 6.889 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.316 -1.041 8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.034 -2.817 9.723 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.340 -3.025 9.328 1.00 0.00 H new ATOM 941 N GLY A 62 -5.466 0.610 9.230 1.00 0.00 N ATOM 942 CA GLY A 62 -4.567 1.741 9.374 1.00 0.00 C ATOM 943 C GLY A 62 -5.025 2.920 8.512 1.00 0.00 C ATOM 944 O GLY A 62 -4.885 4.075 8.909 1.00 0.00 O ATOM 0 H GLY A 62 -6.234 0.588 9.901 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.525 2.045 10.420 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.558 1.446 9.087 1.00 0.00 H new ATOM 948 N MET A 63 -5.563 2.586 7.348 1.00 0.00 N ATOM 949 CA MET A 63 -6.043 3.602 6.427 1.00 0.00 C ATOM 950 C MET A 63 -6.683 4.769 7.182 1.00 0.00 C ATOM 951 O MET A 63 -7.251 4.580 8.256 1.00 0.00 O ATOM 952 CB MET A 63 -7.070 2.984 5.475 1.00 0.00 C ATOM 953 CG MET A 63 -6.429 1.904 4.603 1.00 0.00 C ATOM 954 SD MET A 63 -5.053 2.588 3.695 1.00 0.00 S ATOM 955 CE MET A 63 -5.927 3.373 2.352 1.00 0.00 C ATOM 0 H MET A 63 -5.677 1.626 7.022 1.00 0.00 H new ATOM 0 HA MET A 63 -5.193 3.983 5.861 1.00 0.00 H new ATOM 0 HB2 MET A 63 -7.890 2.553 6.049 1.00 0.00 H new ATOM 0 HB3 MET A 63 -7.498 3.761 4.842 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.089 1.077 5.226 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.167 1.499 3.910 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.369 3.237 1.426 1.00 0.00 H new ATOM 0 HE2 MET A 63 -6.915 2.924 2.249 1.00 0.00 H new ATOM 0 HE3 MET A 63 -6.032 4.438 2.559 1.00 0.00 H new ATOM 965 N PRO A 64 -6.566 5.980 6.574 1.00 0.00 N ATOM 966 CA PRO A 64 -7.126 7.177 7.177 1.00 0.00 C ATOM 967 C PRO A 64 -8.648 7.208 7.023 1.00 0.00 C ATOM 968 O PRO A 64 -9.215 6.423 6.264 1.00 0.00 O ATOM 969 CB PRO A 64 -6.435 8.333 6.473 1.00 0.00 C ATOM 970 CG PRO A 64 -5.861 7.756 5.189 1.00 0.00 C ATOM 971 CD PRO A 64 -5.900 6.240 5.301 1.00 0.00 C ATOM 0 HA PRO A 64 -6.956 7.224 8.253 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.139 9.137 6.259 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.648 8.756 7.097 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.440 8.090 4.328 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.838 8.102 5.039 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.447 5.795 4.470 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.896 5.816 5.285 1.00 0.00 H new ATOM 979 N PRO A 65 -9.283 8.146 7.775 1.00 0.00 N ATOM 980 CA PRO A 65 -10.728 8.290 7.729 1.00 0.00 C ATOM 981 C PRO A 65 -11.171 8.977 6.436 1.00 0.00 C ATOM 982 O PRO A 65 -10.487 9.870 5.938 1.00 0.00 O ATOM 983 CB PRO A 65 -11.084 9.084 8.975 1.00 0.00 C ATOM 984 CG PRO A 65 -9.796 9.753 9.426 1.00 0.00 C ATOM 985 CD PRO A 65 -8.644 9.093 8.685 1.00 0.00 C ATOM 0 HA PRO A 65 -11.246 7.331 7.722 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.854 9.825 8.759 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.479 8.432 9.754 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.825 10.821 9.212 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.668 9.647 10.503 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.051 9.827 8.140 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.969 8.586 9.374 1.00 0.00 H new ATOM 993 N GLY A 66 -12.311 8.534 5.928 1.00 0.00 N ATOM 994 CA GLY A 66 -12.853 9.095 4.702 1.00 0.00 C ATOM 995 C GLY A 66 -11.911 8.845 3.522 1.00 0.00 C ATOM 996 O GLY A 66 -11.965 9.554 2.519 1.00 0.00 O ATOM 0 H GLY A 66 -12.875 7.792 6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.827 8.652 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -13.010 10.166 4.826 1.00 0.00 H new ATOM 1000 N VAL A 67 -11.070 7.833 3.681 1.00 0.00 N ATOM 1001 CA VAL A 67 -10.118 7.481 2.642 1.00 0.00 C ATOM 1002 C VAL A 67 -10.150 5.967 2.419 1.00 0.00 C ATOM 1003 O VAL A 67 -9.621 5.206 3.229 1.00 0.00 O ATOM 1004 CB VAL A 67 -8.727 8.003 3.007 1.00 0.00 C ATOM 1005 CG1 VAL A 67 -7.699 7.614 1.943 1.00 0.00 C ATOM 1006 CG2 VAL A 67 -8.749 9.517 3.221 1.00 0.00 C ATOM 0 H VAL A 67 -11.029 7.246 4.514 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.390 7.954 1.699 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.429 7.536 3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.719 7.997 2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.654 6.528 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.991 8.039 0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.748 9.863 3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.078 10.009 2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.437 9.760 4.031 1.00 0.00 H new ATOM 1016 N SER A 68 -10.774 5.576 1.318 1.00 0.00 N ATOM 1017 CA SER A 68 -10.881 4.167 0.979 1.00 0.00 C ATOM 1018 C SER A 68 -9.538 3.650 0.461 1.00 0.00 C ATOM 1019 O SER A 68 -8.679 4.435 0.062 1.00 0.00 O ATOM 1020 CB SER A 68 -11.978 3.933 -0.061 1.00 0.00 C ATOM 1021 OG SER A 68 -13.266 4.293 0.430 1.00 0.00 O ATOM 0 H SER A 68 -11.211 6.210 0.649 1.00 0.00 H new ATOM 0 HA SER A 68 -11.150 3.617 1.881 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.757 4.512 -0.957 1.00 0.00 H new ATOM 0 HB3 SER A 68 -11.982 2.883 -0.353 1.00 0.00 H new ATOM 0 HG SER A 68 -13.938 4.130 -0.264 1.00 0.00 H new ATOM 1027 N PHE A 69 -9.398 2.332 0.483 1.00 0.00 N ATOM 1028 CA PHE A 69 -8.174 1.702 0.019 1.00 0.00 C ATOM 1029 C PHE A 69 -8.322 1.210 -1.422 1.00 0.00 C ATOM 1030 O PHE A 69 -9.347 0.633 -1.783 1.00 0.00 O ATOM 1031 CB PHE A 69 -7.918 0.500 0.931 1.00 0.00 C ATOM 1032 CG PHE A 69 -6.795 -0.420 0.447 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -5.503 0.004 0.489 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -7.089 -1.661 -0.025 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -4.461 -0.850 0.039 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -6.047 -2.515 -0.474 1.00 0.00 C ATOM 1037 CZ PHE A 69 -4.755 -2.091 -0.432 1.00 0.00 C ATOM 0 H PHE A 69 -10.112 1.684 0.815 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.353 2.418 0.047 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.673 0.861 1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.837 -0.080 1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.270 0.989 0.864 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.115 -1.997 -0.058 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.435 -0.514 0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.280 -3.501 -0.849 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.962 -2.741 -0.773 1.00 0.00 H new ATOM 1047 N LYS A 70 -7.284 1.458 -2.207 1.00 0.00 N ATOM 1048 CA LYS A 70 -7.286 1.048 -3.601 1.00 0.00 C ATOM 1049 C LYS A 70 -5.929 1.378 -4.227 1.00 0.00 C ATOM 1050 O LYS A 70 -5.028 1.863 -3.544 1.00 0.00 O ATOM 1051 CB LYS A 70 -8.472 1.669 -4.341 1.00 0.00 C ATOM 1052 CG LYS A 70 -8.322 3.189 -4.437 1.00 0.00 C ATOM 1053 CD LYS A 70 -9.617 3.837 -4.932 1.00 0.00 C ATOM 1054 CE LYS A 70 -10.722 3.728 -3.878 1.00 0.00 C ATOM 1055 NZ LYS A 70 -11.965 3.201 -4.484 1.00 0.00 N ATOM 0 H LYS A 70 -6.436 1.938 -1.904 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.421 -0.031 -3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.545 1.243 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.398 1.423 -3.822 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.058 3.595 -3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.505 3.435 -5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.436 4.886 -5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.940 3.354 -5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.398 3.073 -3.069 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.911 4.707 -3.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.705 3.133 -3.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.281 3.841 -5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.784 2.258 -4.883 1.00 0.00 H new ATOM 1069 N ALA A 71 -5.826 1.102 -5.519 1.00 0.00 N ATOM 1070 CA ALA A 71 -4.594 1.363 -6.244 1.00 0.00 C ATOM 1071 C ALA A 71 -4.242 2.847 -6.123 1.00 0.00 C ATOM 1072 O ALA A 71 -5.125 3.687 -5.954 1.00 0.00 O ATOM 1073 CB ALA A 71 -4.754 0.918 -7.699 1.00 0.00 C ATOM 0 H ALA A 71 -6.576 0.700 -6.082 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.769 0.792 -5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.830 1.114 -8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.975 -0.149 -7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.571 1.472 -8.161 1.00 0.00 H new ATOM 1079 N PRO A 72 -2.915 3.133 -6.218 1.00 0.00 N ATOM 1080 CA PRO A 72 -2.435 4.501 -6.121 1.00 0.00 C ATOM 1081 C PRO A 72 -2.729 5.277 -7.407 1.00 0.00 C ATOM 1082 O PRO A 72 -2.602 6.500 -7.440 1.00 0.00 O ATOM 1083 CB PRO A 72 -0.949 4.376 -5.829 1.00 0.00 C ATOM 1084 CG PRO A 72 -0.562 2.963 -6.232 1.00 0.00 C ATOM 1085 CD PRO A 72 -1.842 2.164 -6.418 1.00 0.00 C ATOM 0 HA PRO A 72 -2.935 5.068 -5.336 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.377 5.113 -6.392 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.742 4.551 -4.773 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.018 2.975 -7.155 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.065 2.506 -5.467 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.890 1.719 -7.412 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.907 1.347 -5.699 1.00 0.00 H new ATOM 1093 N SER A 73 -3.117 4.534 -8.433 1.00 0.00 N ATOM 1094 CA SER A 73 -3.429 5.137 -9.717 1.00 0.00 C ATOM 1095 C SER A 73 -4.713 5.963 -9.609 1.00 0.00 C ATOM 1096 O SER A 73 -4.781 7.080 -10.120 1.00 0.00 O ATOM 1097 CB SER A 73 -3.575 4.071 -10.805 1.00 0.00 C ATOM 1098 OG SER A 73 -4.550 3.090 -10.465 1.00 0.00 O ATOM 0 H SER A 73 -3.222 3.520 -8.401 1.00 0.00 H new ATOM 0 HA SER A 73 -2.604 5.793 -9.996 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.853 4.548 -11.745 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.613 3.585 -10.967 1.00 0.00 H new ATOM 0 HG SER A 73 -5.447 3.469 -10.575 1.00 0.00 H new ATOM 1104 N TYR A 74 -5.697 5.383 -8.939 1.00 0.00 N ATOM 1105 CA TYR A 74 -6.975 6.051 -8.758 1.00 0.00 C ATOM 1106 C TYR A 74 -6.888 7.108 -7.654 1.00 0.00 C ATOM 1107 O TYR A 74 -7.426 8.205 -7.797 1.00 0.00 O ATOM 1108 CB TYR A 74 -7.963 4.964 -8.330 1.00 0.00 C ATOM 1109 CG TYR A 74 -8.052 3.786 -9.302 1.00 0.00 C ATOM 1110 CD1 TYR A 74 -7.899 3.998 -10.657 1.00 0.00 C ATOM 1111 CD2 TYR A 74 -8.284 2.513 -8.824 1.00 0.00 C ATOM 1112 CE1 TYR A 74 -7.983 2.889 -11.573 1.00 0.00 C ATOM 1113 CE2 TYR A 74 -8.368 1.404 -9.739 1.00 0.00 C ATOM 1114 CZ TYR A 74 -8.213 1.647 -11.069 1.00 0.00 C ATOM 1115 OH TYR A 74 -8.292 0.600 -11.933 1.00 0.00 O ATOM 0 H TYR A 74 -5.636 4.458 -8.515 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.279 6.554 -9.676 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.673 4.590 -7.348 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.952 5.409 -8.223 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.716 4.995 -11.031 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.403 2.348 -7.763 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.866 3.041 -12.636 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.550 0.403 -9.378 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.459 -0.226 -11.432 1.00 0.00 H new ATOM 1125 N LEU A 75 -6.207 6.740 -6.579 1.00 0.00 N ATOM 1126 CA LEU A 75 -6.043 7.642 -5.452 1.00 0.00 C ATOM 1127 C LEU A 75 -5.322 8.908 -5.919 1.00 0.00 C ATOM 1128 O LEU A 75 -4.430 8.843 -6.763 1.00 0.00 O ATOM 1129 CB LEU A 75 -5.345 6.930 -4.292 1.00 0.00 C ATOM 1130 CG LEU A 75 -6.064 5.701 -3.730 1.00 0.00 C ATOM 1131 CD1 LEU A 75 -5.191 4.978 -2.702 1.00 0.00 C ATOM 1132 CD2 LEU A 75 -7.431 6.080 -3.156 1.00 0.00 C ATOM 0 H LEU A 75 -5.762 5.829 -6.465 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.015 7.951 -5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.352 6.626 -4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.206 7.647 -3.483 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.241 5.004 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.725 4.109 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.264 4.654 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.961 5.655 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.921 5.189 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.300 6.805 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.047 6.516 -3.942 1.00 0.00 H new ATOM 1144 N GLU A 76 -5.736 10.031 -5.349 1.00 0.00 N ATOM 1145 CA GLU A 76 -5.140 11.310 -5.696 1.00 0.00 C ATOM 1146 C GLU A 76 -3.906 11.573 -4.831 1.00 0.00 C ATOM 1147 O GLU A 76 -3.625 10.822 -3.899 1.00 0.00 O ATOM 1148 CB GLU A 76 -6.158 12.444 -5.559 1.00 0.00 C ATOM 1149 CG GLU A 76 -6.948 12.632 -6.855 1.00 0.00 C ATOM 1150 CD GLU A 76 -6.131 13.413 -7.887 1.00 0.00 C ATOM 1151 OE1 GLU A 76 -5.075 12.882 -8.294 1.00 0.00 O ATOM 1152 OE2 GLU A 76 -6.581 14.523 -8.244 1.00 0.00 O ATOM 0 H GLU A 76 -6.477 10.081 -4.650 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.826 11.272 -6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.843 12.225 -4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.643 13.371 -5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.221 11.659 -7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.877 13.162 -6.645 1.00 0.00 H new ATOM 1159 N ILE A 77 -3.202 12.643 -5.171 1.00 0.00 N ATOM 1160 CA ILE A 77 -2.004 13.015 -4.437 1.00 0.00 C ATOM 1161 C ILE A 77 -2.332 13.101 -2.945 1.00 0.00 C ATOM 1162 O ILE A 77 -1.752 12.380 -2.136 1.00 0.00 O ATOM 1163 CB ILE A 77 -1.402 14.299 -5.010 1.00 0.00 C ATOM 1164 CG1 ILE A 77 -1.064 14.132 -6.493 1.00 0.00 C ATOM 1165 CG2 ILE A 77 -0.189 14.748 -4.192 1.00 0.00 C ATOM 1166 CD1 ILE A 77 -0.024 15.163 -6.937 1.00 0.00 C ATOM 0 H ILE A 77 -3.438 13.264 -5.945 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.234 12.252 -4.551 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.149 15.089 -4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.684 13.126 -6.672 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.969 14.242 -7.091 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.220 15.663 -4.620 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.493 14.934 -3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.571 13.967 -4.210 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.199 15.023 -7.995 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.417 16.167 -6.779 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.888 15.034 -6.354 1.00 0.00 H new ATOM 1178 N SER A 78 -3.261 13.990 -2.627 1.00 0.00 N ATOM 1179 CA SER A 78 -3.673 14.181 -1.246 1.00 0.00 C ATOM 1180 C SER A 78 -3.945 12.826 -0.590 1.00 0.00 C ATOM 1181 O SER A 78 -3.587 12.609 0.567 1.00 0.00 O ATOM 1182 CB SER A 78 -4.914 15.071 -1.159 1.00 0.00 C ATOM 1183 OG SER A 78 -4.632 16.418 -1.531 1.00 0.00 O ATOM 0 H SER A 78 -3.740 14.586 -3.302 1.00 0.00 H new ATOM 0 HA SER A 78 -2.864 14.680 -0.713 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.693 14.671 -1.808 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.305 15.050 -0.142 1.00 0.00 H new ATOM 0 HG SER A 78 -5.450 16.954 -1.464 1.00 0.00 H new ATOM 1189 N SER A 79 -4.577 11.949 -1.357 1.00 0.00 N ATOM 1190 CA SER A 79 -4.901 10.621 -0.864 1.00 0.00 C ATOM 1191 C SER A 79 -3.620 9.878 -0.481 1.00 0.00 C ATOM 1192 O SER A 79 -3.489 9.398 0.644 1.00 0.00 O ATOM 1193 CB SER A 79 -5.686 9.823 -1.907 1.00 0.00 C ATOM 1194 OG SER A 79 -6.372 8.716 -1.328 1.00 0.00 O ATOM 0 H SER A 79 -4.873 12.132 -2.316 1.00 0.00 H new ATOM 0 HA SER A 79 -5.529 10.728 0.020 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.405 10.478 -2.399 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.004 9.464 -2.677 1.00 0.00 H new ATOM 0 HG SER A 79 -7.335 8.811 -1.482 1.00 0.00 H new ATOM 1200 N MET A 80 -2.707 9.805 -1.439 1.00 0.00 N ATOM 1201 CA MET A 80 -1.441 9.127 -1.216 1.00 0.00 C ATOM 1202 C MET A 80 -0.714 9.710 -0.002 1.00 0.00 C ATOM 1203 O MET A 80 -0.228 8.968 0.850 1.00 0.00 O ATOM 1204 CB MET A 80 -0.559 9.272 -2.458 1.00 0.00 C ATOM 1205 CG MET A 80 -1.230 8.646 -3.682 1.00 0.00 C ATOM 1206 SD MET A 80 -0.111 8.674 -5.072 1.00 0.00 S ATOM 1207 CE MET A 80 -0.621 10.197 -5.851 1.00 0.00 C ATOM 0 H MET A 80 -2.819 10.204 -2.371 1.00 0.00 H new ATOM 0 HA MET A 80 -1.643 8.073 -1.024 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.361 10.327 -2.647 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.404 8.794 -2.282 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.523 7.620 -3.461 1.00 0.00 H new ATOM 0 HG3 MET A 80 -2.141 9.192 -3.927 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.625 10.068 -6.933 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.623 10.461 -5.513 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.074 10.993 -5.583 1.00 0.00 H new ATOM 1217 N ARG A 81 -0.663 11.034 0.038 1.00 0.00 N ATOM 1218 CA ARG A 81 -0.003 11.724 1.133 1.00 0.00 C ATOM 1219 C ARG A 81 -0.510 11.195 2.476 1.00 0.00 C ATOM 1220 O ARG A 81 0.282 10.794 3.327 1.00 0.00 O ATOM 1221 CB ARG A 81 -0.250 13.233 1.060 1.00 0.00 C ATOM 1222 CG ARG A 81 0.894 13.941 0.333 1.00 0.00 C ATOM 1223 CD ARG A 81 2.250 13.523 0.904 1.00 0.00 C ATOM 1224 NE ARG A 81 3.128 14.706 1.043 1.00 0.00 N ATOM 1225 CZ ARG A 81 3.533 15.466 0.016 1.00 0.00 C ATOM 1226 NH1 ARG A 81 3.141 15.170 -1.231 1.00 0.00 N ATOM 1227 NH2 ARG A 81 4.329 16.521 0.236 1.00 0.00 N ATOM 0 H ARG A 81 -1.068 11.646 -0.670 1.00 0.00 H new ATOM 0 HA ARG A 81 1.067 11.537 1.047 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.190 13.427 0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.351 13.638 2.067 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.855 13.705 -0.730 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.774 15.021 0.424 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.113 13.045 1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.718 12.788 0.250 1.00 0.00 H new ATOM 0 HE ARG A 81 3.445 14.959 1.979 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.535 14.367 -1.398 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.449 15.748 -2.013 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.627 16.746 1.185 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.637 17.099 -0.546 1.00 0.00 H new ATOM 1241 N ARG A 82 -1.827 11.212 2.624 1.00 0.00 N ATOM 1242 CA ARG A 82 -2.448 10.739 3.849 1.00 0.00 C ATOM 1243 C ARG A 82 -1.978 9.318 4.168 1.00 0.00 C ATOM 1244 O ARG A 82 -1.297 9.096 5.168 1.00 0.00 O ATOM 1245 CB ARG A 82 -3.974 10.750 3.732 1.00 0.00 C ATOM 1246 CG ARG A 82 -4.502 12.178 3.588 1.00 0.00 C ATOM 1247 CD ARG A 82 -6.006 12.181 3.308 1.00 0.00 C ATOM 1248 NE ARG A 82 -6.758 12.186 4.583 1.00 0.00 N ATOM 1249 CZ ARG A 82 -8.081 12.377 4.674 1.00 0.00 C ATOM 1250 NH1 ARG A 82 -8.807 12.580 3.566 1.00 0.00 N ATOM 1251 NH2 ARG A 82 -8.679 12.366 5.874 1.00 0.00 N ATOM 0 H ARG A 82 -2.481 11.546 1.916 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.151 11.412 4.653 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.281 10.156 2.871 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.413 10.283 4.614 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.297 12.739 4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.977 12.684 2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.272 13.056 2.716 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.277 11.304 2.720 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.236 12.035 5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.352 12.589 2.653 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.814 12.725 3.636 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.127 12.212 6.718 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.686 12.511 5.943 1.00 0.00 H new ATOM 1265 N ILE A 83 -2.361 8.393 3.300 1.00 0.00 N ATOM 1266 CA ILE A 83 -1.987 7.000 3.477 1.00 0.00 C ATOM 1267 C ILE A 83 -0.542 6.924 3.974 1.00 0.00 C ATOM 1268 O ILE A 83 -0.266 6.300 4.998 1.00 0.00 O ATOM 1269 CB ILE A 83 -2.238 6.211 2.191 1.00 0.00 C ATOM 1270 CG1 ILE A 83 -3.736 6.004 1.958 1.00 0.00 C ATOM 1271 CG2 ILE A 83 -1.472 4.886 2.202 1.00 0.00 C ATOM 1272 CD1 ILE A 83 -4.074 6.072 0.468 1.00 0.00 C ATOM 0 H ILE A 83 -2.926 8.581 2.472 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.611 6.531 4.238 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.859 6.796 1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.040 5.037 2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.300 6.765 2.498 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.668 4.345 1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.404 5.084 2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.798 4.284 3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.145 5.922 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.791 7.049 0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.527 5.294 -0.065 1.00 0.00 H new ATOM 1284 N LEU A 84 0.342 7.566 3.225 1.00 0.00 N ATOM 1285 CA LEU A 84 1.752 7.579 3.577 1.00 0.00 C ATOM 1286 C LEU A 84 1.905 8.004 5.038 1.00 0.00 C ATOM 1287 O LEU A 84 2.569 7.325 5.820 1.00 0.00 O ATOM 1288 CB LEU A 84 2.540 8.450 2.597 1.00 0.00 C ATOM 1289 CG LEU A 84 2.775 7.854 1.208 1.00 0.00 C ATOM 1290 CD1 LEU A 84 3.337 8.904 0.248 1.00 0.00 C ATOM 1291 CD2 LEU A 84 3.668 6.614 1.287 1.00 0.00 C ATOM 0 H LEU A 84 0.110 8.081 2.376 1.00 0.00 H new ATOM 0 HA LEU A 84 2.176 6.578 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.014 9.397 2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.509 8.677 3.042 1.00 0.00 H new ATOM 0 HG LEU A 84 1.813 7.534 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.495 8.454 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.631 9.730 0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.286 9.278 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.819 6.210 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.632 6.886 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.190 5.861 1.914 1.00 0.00 H new ATOM 1303 N ASP A 85 1.279 9.126 5.364 1.00 0.00 N ATOM 1304 CA ASP A 85 1.337 9.649 6.718 1.00 0.00 C ATOM 1305 C ASP A 85 0.976 8.538 7.706 1.00 0.00 C ATOM 1306 O ASP A 85 1.401 8.566 8.860 1.00 0.00 O ATOM 1307 CB ASP A 85 0.341 10.794 6.909 1.00 0.00 C ATOM 1308 CG ASP A 85 0.699 11.785 8.019 1.00 0.00 C ATOM 1309 OD1 ASP A 85 1.707 12.501 7.837 1.00 0.00 O ATOM 1310 OD2 ASP A 85 -0.044 11.803 9.025 1.00 0.00 O ATOM 0 H ASP A 85 0.729 9.687 4.713 1.00 0.00 H new ATOM 0 HA ASP A 85 2.348 10.017 6.894 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.254 11.340 5.970 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.640 10.370 7.124 1.00 0.00 H new ATOM 1315 N SER A 86 0.195 7.586 7.217 1.00 0.00 N ATOM 1316 CA SER A 86 -0.228 6.468 8.042 1.00 0.00 C ATOM 1317 C SER A 86 0.382 5.167 7.515 1.00 0.00 C ATOM 1318 O SER A 86 -0.130 4.082 7.786 1.00 0.00 O ATOM 1319 CB SER A 86 -1.753 6.360 8.083 1.00 0.00 C ATOM 1320 OG SER A 86 -2.318 7.162 9.117 1.00 0.00 O ATOM 0 H SER A 86 -0.156 7.566 6.259 1.00 0.00 H new ATOM 0 HA SER A 86 0.125 6.641 9.059 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.164 6.666 7.121 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.039 5.319 8.235 1.00 0.00 H new ATOM 0 HG SER A 86 -2.167 6.731 9.984 1.00 0.00 H new ATOM 1326 N ALA A 87 1.468 5.320 6.770 1.00 0.00 N ATOM 1327 CA ALA A 87 2.153 4.171 6.202 1.00 0.00 C ATOM 1328 C ALA A 87 2.314 3.096 7.278 1.00 0.00 C ATOM 1329 O ALA A 87 1.921 1.948 7.078 1.00 0.00 O ATOM 1330 CB ALA A 87 3.494 4.616 5.616 1.00 0.00 C ATOM 0 H ALA A 87 1.890 6.222 6.547 1.00 0.00 H new ATOM 0 HA ALA A 87 1.570 3.738 5.389 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.009 3.755 5.190 1.00 0.00 H new ATOM 0 HB2 ALA A 87 3.322 5.358 4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.108 5.052 6.404 1.00 0.00 H new ATOM 1336 N GLU A 88 2.895 3.505 8.397 1.00 0.00 N ATOM 1337 CA GLU A 88 3.113 2.591 9.505 1.00 0.00 C ATOM 1338 C GLU A 88 1.778 2.034 10.005 1.00 0.00 C ATOM 1339 O GLU A 88 1.688 0.862 10.368 1.00 0.00 O ATOM 1340 CB GLU A 88 3.880 3.276 10.638 1.00 0.00 C ATOM 1341 CG GLU A 88 3.033 4.371 11.290 1.00 0.00 C ATOM 1342 CD GLU A 88 3.874 5.218 12.247 1.00 0.00 C ATOM 1343 OE1 GLU A 88 4.560 4.605 13.093 1.00 0.00 O ATOM 1344 OE2 GLU A 88 3.812 6.459 12.111 1.00 0.00 O ATOM 0 H GLU A 88 3.221 4.458 8.560 1.00 0.00 H new ATOM 0 HA GLU A 88 3.721 1.759 9.150 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.165 2.538 11.387 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.802 3.708 10.249 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.600 5.009 10.519 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.203 3.919 11.833 1.00 0.00 H new ATOM 1351 N PHE A 89 0.776 2.900 10.007 1.00 0.00 N ATOM 1352 CA PHE A 89 -0.550 2.510 10.456 1.00 0.00 C ATOM 1353 C PHE A 89 -1.153 1.453 9.529 1.00 0.00 C ATOM 1354 O PHE A 89 -1.786 0.505 9.991 1.00 0.00 O ATOM 1355 CB PHE A 89 -1.423 3.765 10.417 1.00 0.00 C ATOM 1356 CG PHE A 89 -1.587 4.452 11.774 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -2.079 3.756 12.834 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -1.239 5.759 11.921 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -2.231 4.394 14.094 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -1.391 6.397 13.181 1.00 0.00 C ATOM 1361 CZ PHE A 89 -1.884 5.701 14.240 1.00 0.00 C ATOM 0 H PHE A 89 0.855 3.871 9.705 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.494 2.086 11.458 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.990 4.475 9.712 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.408 3.498 10.035 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.354 2.718 12.718 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.847 6.311 11.080 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.622 3.842 14.936 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.115 7.435 13.298 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.000 6.186 15.198 1.00 0.00 H new ATOM 1371 N ILE A 90 -0.937 1.653 8.237 1.00 0.00 N ATOM 1372 CA ILE A 90 -1.452 0.729 7.241 1.00 0.00 C ATOM 1373 C ILE A 90 -1.253 -0.707 7.731 1.00 0.00 C ATOM 1374 O ILE A 90 -0.252 -1.012 8.378 1.00 0.00 O ATOM 1375 CB ILE A 90 -0.819 1.006 5.876 1.00 0.00 C ATOM 1376 CG1 ILE A 90 -1.022 2.465 5.463 1.00 0.00 C ATOM 1377 CG2 ILE A 90 -1.346 0.033 4.819 1.00 0.00 C ATOM 1378 CD1 ILE A 90 -2.372 2.991 5.954 1.00 0.00 C ATOM 0 H ILE A 90 -0.413 2.441 7.857 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.524 0.874 7.106 1.00 0.00 H new ATOM 0 HB ILE A 90 0.255 0.841 5.959 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.218 3.078 5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -0.967 2.550 4.378 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.880 0.252 3.858 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.107 -0.989 5.114 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.427 0.142 4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.491 4.030 5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.174 2.391 5.524 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.414 2.927 7.041 1.00 0.00 H new ATOM 1390 N LYS A 91 -2.221 -1.549 7.404 1.00 0.00 N ATOM 1391 CA LYS A 91 -2.165 -2.945 7.804 1.00 0.00 C ATOM 1392 C LYS A 91 -2.934 -3.793 6.788 1.00 0.00 C ATOM 1393 O LYS A 91 -3.780 -3.278 6.058 1.00 0.00 O ATOM 1394 CB LYS A 91 -2.659 -3.112 9.242 1.00 0.00 C ATOM 1395 CG LYS A 91 -1.553 -3.670 10.140 1.00 0.00 C ATOM 1396 CD LYS A 91 -2.050 -3.849 11.576 1.00 0.00 C ATOM 1397 CE LYS A 91 -1.787 -2.592 12.408 1.00 0.00 C ATOM 1398 NZ LYS A 91 -1.730 -2.927 13.849 1.00 0.00 N ATOM 0 H LYS A 91 -3.049 -1.292 6.867 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.134 -3.300 7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.996 -2.150 9.629 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.519 -3.781 9.260 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.210 -4.628 9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.696 -2.996 10.129 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.118 -4.069 11.570 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.551 -4.703 12.034 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.848 -2.133 12.098 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.574 -1.859 12.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.551 -2.063 14.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.636 -3.344 14.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.963 -3.609 14.017 1.00 0.00 H new ATOM 1412 N PHE A 92 -2.612 -5.078 6.774 1.00 0.00 N ATOM 1413 CA PHE A 92 -3.262 -6.002 5.860 1.00 0.00 C ATOM 1414 C PHE A 92 -3.454 -7.373 6.511 1.00 0.00 C ATOM 1415 O PHE A 92 -2.483 -8.034 6.875 1.00 0.00 O ATOM 1416 CB PHE A 92 -2.342 -6.152 4.646 1.00 0.00 C ATOM 1417 CG PHE A 92 -2.463 -5.015 3.630 1.00 0.00 C ATOM 1418 CD1 PHE A 92 -1.981 -3.779 3.931 1.00 0.00 C ATOM 1419 CD2 PHE A 92 -3.052 -5.240 2.425 1.00 0.00 C ATOM 1420 CE1 PHE A 92 -2.093 -2.724 2.987 1.00 0.00 C ATOM 1421 CE2 PHE A 92 -3.164 -4.185 1.481 1.00 0.00 C ATOM 1422 CZ PHE A 92 -2.683 -2.949 1.782 1.00 0.00 C ATOM 0 H PHE A 92 -1.910 -5.501 7.381 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.244 -5.621 5.582 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.309 -6.210 4.990 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.565 -7.096 4.148 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.513 -3.600 4.888 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.435 -6.221 2.186 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.710 -1.743 3.226 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.631 -4.364 0.524 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.769 -2.146 1.065 1.00 0.00 H new ATOM 1432 N THR A 93 -4.715 -7.761 6.638 1.00 0.00 N ATOM 1433 CA THR A 93 -5.048 -9.041 7.239 1.00 0.00 C ATOM 1434 C THR A 93 -5.520 -10.026 6.167 1.00 0.00 C ATOM 1435 O THR A 93 -6.436 -9.726 5.403 1.00 0.00 O ATOM 1436 CB THR A 93 -6.085 -8.793 8.336 1.00 0.00 C ATOM 1437 OG1 THR A 93 -5.491 -7.789 9.154 1.00 0.00 O ATOM 1438 CG2 THR A 93 -6.244 -9.992 9.273 1.00 0.00 C ATOM 0 H THR A 93 -5.518 -7.211 6.335 1.00 0.00 H new ATOM 0 HA THR A 93 -4.174 -9.503 7.698 1.00 0.00 H new ATOM 0 HB THR A 93 -7.047 -8.559 7.880 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.098 -7.566 9.891 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.991 -9.763 10.033 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.564 -10.862 8.700 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.290 -10.206 9.755 1.00 0.00 H new ATOM 1446 N VAL A 94 -4.873 -11.182 6.146 1.00 0.00 N ATOM 1447 CA VAL A 94 -5.215 -12.214 5.181 1.00 0.00 C ATOM 1448 C VAL A 94 -6.117 -13.253 5.850 1.00 0.00 C ATOM 1449 O VAL A 94 -5.639 -14.284 6.322 1.00 0.00 O ATOM 1450 CB VAL A 94 -3.940 -12.820 4.590 1.00 0.00 C ATOM 1451 CG1 VAL A 94 -4.259 -14.070 3.766 1.00 0.00 C ATOM 1452 CG2 VAL A 94 -3.180 -11.790 3.752 1.00 0.00 C ATOM 0 H VAL A 94 -4.114 -11.427 6.782 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.773 -11.788 4.347 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.296 -13.119 5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.336 -14.481 3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.737 -14.814 4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.931 -13.806 2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.278 -12.247 3.344 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.814 -11.446 2.935 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.905 -10.942 4.379 1.00 0.00 H new ATOM 1462 N ILE A 95 -7.405 -12.945 5.870 1.00 0.00 N ATOM 1463 CA ILE A 95 -8.379 -13.840 6.474 1.00 0.00 C ATOM 1464 C ILE A 95 -8.393 -15.163 5.706 1.00 0.00 C ATOM 1465 O ILE A 95 -8.199 -16.227 6.292 1.00 0.00 O ATOM 1466 CB ILE A 95 -9.748 -13.163 6.558 1.00 0.00 C ATOM 1467 CG1 ILE A 95 -9.757 -12.077 7.636 1.00 0.00 C ATOM 1468 CG2 ILE A 95 -10.857 -14.194 6.775 1.00 0.00 C ATOM 1469 CD1 ILE A 95 -8.906 -10.878 7.214 1.00 0.00 C ATOM 0 H ILE A 95 -7.797 -12.089 5.478 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.100 -14.070 7.502 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.946 -12.673 5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.781 -11.753 7.822 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.377 -12.486 8.572 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.820 -13.686 6.831 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -10.866 -14.899 5.944 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.676 -14.733 7.705 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.930 -10.121 7.998 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.878 -11.201 7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -9.304 -10.457 6.291 1.00 0.00 H new ATOM 1481 N ARG A 96 -8.626 -15.054 4.406 1.00 0.00 N ATOM 1482 CA ARG A 96 -8.669 -16.229 3.552 1.00 0.00 C ATOM 1483 C ARG A 96 -7.968 -15.944 2.222 1.00 0.00 C ATOM 1484 O ARG A 96 -8.195 -14.903 1.608 1.00 0.00 O ATOM 1485 CB ARG A 96 -10.111 -16.659 3.279 1.00 0.00 C ATOM 1486 CG ARG A 96 -10.987 -15.453 2.933 1.00 0.00 C ATOM 1487 CD ARG A 96 -12.467 -15.764 3.168 1.00 0.00 C ATOM 1488 NE ARG A 96 -13.091 -16.236 1.911 1.00 0.00 N ATOM 1489 CZ ARG A 96 -13.041 -17.502 1.477 1.00 0.00 C ATOM 1490 NH1 ARG A 96 -12.396 -18.432 2.195 1.00 0.00 N ATOM 1491 NH2 ARG A 96 -13.636 -17.839 0.325 1.00 0.00 N ATOM 0 H ARG A 96 -8.787 -14.170 3.923 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.154 -17.036 4.072 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.131 -17.375 2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.515 -17.167 4.155 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -10.691 -14.598 3.540 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.832 -15.173 1.891 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.569 -16.525 3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.982 -14.873 3.527 1.00 0.00 H new ATOM 0 HE ARG A 96 -13.590 -15.554 1.340 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -11.943 -18.176 3.072 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.358 -19.396 1.864 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.127 -17.131 -0.221 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.598 -18.803 -0.006 1.00 0.00 H new ATOM 1505 N PRO A 97 -7.109 -16.912 1.806 1.00 0.00 N ATOM 1506 CA PRO A 97 -6.375 -16.776 0.560 1.00 0.00 C ATOM 1507 C PRO A 97 -7.287 -17.019 -0.644 1.00 0.00 C ATOM 1508 O PRO A 97 -8.373 -17.579 -0.502 1.00 0.00 O ATOM 1509 CB PRO A 97 -5.241 -17.783 0.659 1.00 0.00 C ATOM 1510 CG PRO A 97 -5.651 -18.766 1.744 1.00 0.00 C ATOM 1511 CD PRO A 97 -6.816 -18.158 2.507 1.00 0.00 C ATOM 0 HA PRO A 97 -5.984 -15.770 0.410 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -5.087 -18.293 -0.292 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.302 -17.291 0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.939 -19.721 1.305 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.816 -18.963 2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -7.679 -18.824 2.508 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.554 -17.974 3.549 1.00 0.00 H new ATOM 1519 N PHE A 98 -6.812 -16.586 -1.803 1.00 0.00 N ATOM 1520 CA PHE A 98 -7.571 -16.750 -3.031 1.00 0.00 C ATOM 1521 C PHE A 98 -7.352 -18.141 -3.630 1.00 0.00 C ATOM 1522 O PHE A 98 -6.430 -18.853 -3.234 1.00 0.00 O ATOM 1523 CB PHE A 98 -7.060 -15.697 -4.016 1.00 0.00 C ATOM 1524 CG PHE A 98 -6.606 -14.394 -3.355 1.00 0.00 C ATOM 1525 CD1 PHE A 98 -7.454 -13.715 -2.537 1.00 0.00 C ATOM 1526 CD2 PHE A 98 -5.354 -13.915 -3.585 1.00 0.00 C ATOM 1527 CE1 PHE A 98 -7.032 -12.506 -1.923 1.00 0.00 C ATOM 1528 CE2 PHE A 98 -4.932 -12.706 -2.972 1.00 0.00 C ATOM 1529 CZ PHE A 98 -5.780 -12.027 -2.153 1.00 0.00 C ATOM 0 H PHE A 98 -5.911 -16.122 -1.917 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.636 -16.635 -2.828 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -6.226 -16.116 -4.580 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -7.849 -15.472 -4.734 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.448 -14.095 -2.354 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -4.681 -14.455 -4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -7.705 -11.967 -1.273 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.938 -12.325 -3.156 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.459 -11.108 -1.686 1.00 0.00 H new ATOM 1539 N PRO A 99 -8.237 -18.495 -4.600 1.00 0.00 N ATOM 1540 CA PRO A 99 -8.149 -19.788 -5.258 1.00 0.00 C ATOM 1541 C PRO A 99 -6.990 -19.817 -6.256 1.00 0.00 C ATOM 1542 O PRO A 99 -7.201 -19.695 -7.462 1.00 0.00 O ATOM 1543 CB PRO A 99 -9.505 -19.987 -5.915 1.00 0.00 C ATOM 1544 CG PRO A 99 -10.136 -18.607 -5.996 1.00 0.00 C ATOM 1545 CD PRO A 99 -9.341 -17.677 -5.095 1.00 0.00 C ATOM 0 HA PRO A 99 -7.935 -20.601 -4.564 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.398 -20.426 -6.907 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.126 -20.667 -5.331 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.127 -18.243 -7.023 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -11.179 -18.645 -5.680 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.976 -16.810 -5.645 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.953 -17.300 -4.276 1.00 0.00 H new ATOM 1553 N GLY A 100 -5.791 -19.980 -5.717 1.00 0.00 N ATOM 1554 CA GLY A 100 -4.598 -20.028 -6.545 1.00 0.00 C ATOM 1555 C GLY A 100 -3.423 -19.331 -5.856 1.00 0.00 C ATOM 1556 O GLY A 100 -2.275 -19.486 -6.270 1.00 0.00 O ATOM 0 H GLY A 100 -5.620 -20.081 -4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.338 -21.066 -6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.797 -19.550 -7.504 1.00 0.00 H new ATOM 1560 N LEU A 101 -3.751 -18.579 -4.815 1.00 0.00 N ATOM 1561 CA LEU A 101 -2.737 -17.858 -4.064 1.00 0.00 C ATOM 1562 C LEU A 101 -1.818 -18.861 -3.364 1.00 0.00 C ATOM 1563 O LEU A 101 -2.208 -20.003 -3.125 1.00 0.00 O ATOM 1564 CB LEU A 101 -3.389 -16.853 -3.113 1.00 0.00 C ATOM 1565 CG LEU A 101 -2.443 -15.858 -2.437 1.00 0.00 C ATOM 1566 CD1 LEU A 101 -1.898 -14.847 -3.448 1.00 0.00 C ATOM 1567 CD2 LEU A 101 -3.124 -15.173 -1.251 1.00 0.00 C ATOM 0 H LEU A 101 -4.704 -18.454 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.113 -17.268 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.139 -16.291 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.917 -17.407 -2.337 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.590 -16.411 -2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.228 -14.151 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.351 -15.373 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.726 -14.295 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.430 -14.471 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.006 -14.635 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -3.422 -15.924 -0.519 1.00 0.00 H new ATOM 1579 N VAL A 102 -0.616 -18.398 -3.055 1.00 0.00 N ATOM 1580 CA VAL A 102 0.361 -19.240 -2.386 1.00 0.00 C ATOM 1581 C VAL A 102 1.351 -18.358 -1.623 1.00 0.00 C ATOM 1582 O VAL A 102 1.673 -17.256 -2.063 1.00 0.00 O ATOM 1583 CB VAL A 102 1.041 -20.160 -3.402 1.00 0.00 C ATOM 1584 CG1 VAL A 102 2.097 -21.038 -2.727 1.00 0.00 C ATOM 1585 CG2 VAL A 102 0.011 -21.014 -4.144 1.00 0.00 C ATOM 0 H VAL A 102 -0.296 -17.450 -3.256 1.00 0.00 H new ATOM 0 HA VAL A 102 -0.127 -19.886 -1.657 1.00 0.00 H new ATOM 0 HB VAL A 102 1.547 -19.532 -4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.565 -21.682 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.856 -20.405 -2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.624 -21.653 -1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.521 -21.659 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -0.536 -21.628 -3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -0.687 -20.365 -4.673 1.00 0.00 H new ATOM 1595 N ILE A 103 1.805 -18.876 -0.491 1.00 0.00 N ATOM 1596 CA ILE A 103 2.752 -18.149 0.338 1.00 0.00 C ATOM 1597 C ILE A 103 4.079 -18.910 0.377 1.00 0.00 C ATOM 1598 O ILE A 103 5.046 -18.512 -0.270 1.00 0.00 O ATOM 1599 CB ILE A 103 2.156 -17.881 1.722 1.00 0.00 C ATOM 1600 CG1 ILE A 103 0.877 -17.048 1.616 1.00 0.00 C ATOM 1601 CG2 ILE A 103 3.188 -17.232 2.646 1.00 0.00 C ATOM 1602 CD1 ILE A 103 0.412 -16.580 2.996 1.00 0.00 C ATOM 0 H ILE A 103 1.535 -19.790 -0.128 1.00 0.00 H new ATOM 0 HA ILE A 103 2.959 -17.168 -0.091 1.00 0.00 H new ATOM 0 HB ILE A 103 1.881 -18.837 2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.054 -16.184 0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.092 -17.639 1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.739 -17.052 3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.045 -17.896 2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.516 -16.285 2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.499 -15.990 2.892 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.213 -17.447 3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.190 -15.969 3.454 1.00 0.00 H new ATOM 1614 N ASN A 104 4.082 -19.992 1.142 1.00 0.00 N ATOM 1615 CA ASN A 104 5.274 -20.812 1.273 1.00 0.00 C ATOM 1616 C ASN A 104 6.344 -20.030 2.038 1.00 0.00 C ATOM 1617 O ASN A 104 6.670 -20.366 3.175 1.00 0.00 O ATOM 1618 CB ASN A 104 5.845 -21.178 -0.098 1.00 0.00 C ATOM 1619 CG ASN A 104 6.303 -22.637 -0.130 1.00 0.00 C ATOM 1620 OD1 ASN A 104 5.534 -23.551 -0.384 1.00 0.00 O ATOM 1621 ND2 ASN A 104 7.594 -22.806 0.142 1.00 0.00 N ATOM 0 H ASN A 104 3.278 -20.320 1.677 1.00 0.00 H new ATOM 0 HA ASN A 104 4.999 -21.724 1.803 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.089 -21.014 -0.866 1.00 0.00 H new ATOM 0 HB3 ASN A 104 6.685 -20.524 -0.332 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.996 -23.744 0.146 1.00 0.00 H new ATOM 0 HD22 ASN A 104 8.182 -21.998 0.346 1.00 0.00 H new ATOM 1628 N ASN A 105 6.861 -19.002 1.382 1.00 0.00 N ATOM 1629 CA ASN A 105 7.888 -18.169 1.986 1.00 0.00 C ATOM 1630 C ASN A 105 8.605 -17.377 0.891 1.00 0.00 C ATOM 1631 O ASN A 105 8.720 -16.156 0.977 1.00 0.00 O ATOM 1632 CB ASN A 105 8.930 -19.021 2.714 1.00 0.00 C ATOM 1633 CG ASN A 105 9.213 -20.314 1.947 1.00 0.00 C ATOM 1634 OD1 ASN A 105 8.624 -21.354 2.192 1.00 0.00 O ATOM 1635 ND2 ASN A 105 10.147 -20.192 1.007 1.00 0.00 N ATOM 0 H ASN A 105 6.588 -18.727 0.438 1.00 0.00 H new ATOM 0 HA ASN A 105 7.405 -17.502 2.700 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.853 -18.453 2.830 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.574 -19.259 3.717 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.408 -20.999 0.440 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.601 -19.292 0.853 1.00 0.00 H new ATOM 1642 N GLN A 106 9.069 -18.105 -0.114 1.00 0.00 N ATOM 1643 CA GLN A 106 9.773 -17.486 -1.225 1.00 0.00 C ATOM 1644 C GLN A 106 10.124 -18.535 -2.281 1.00 0.00 C ATOM 1645 O GLN A 106 9.841 -19.719 -2.104 1.00 0.00 O ATOM 1646 CB GLN A 106 11.026 -16.755 -0.740 1.00 0.00 C ATOM 1647 CG GLN A 106 12.099 -17.747 -0.287 1.00 0.00 C ATOM 1648 CD GLN A 106 13.457 -17.406 -0.906 1.00 0.00 C ATOM 1649 OE1 GLN A 106 13.562 -16.651 -1.858 1.00 0.00 O ATOM 1650 NE2 GLN A 106 14.486 -18.004 -0.313 1.00 0.00 N ATOM 0 H GLN A 106 8.971 -19.118 -0.182 1.00 0.00 H new ATOM 0 HA GLN A 106 9.115 -16.747 -1.681 1.00 0.00 H new ATOM 0 HB2 GLN A 106 11.419 -16.129 -1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.768 -16.091 0.085 1.00 0.00 H new ATOM 0 HG2 GLN A 106 12.177 -17.733 0.800 1.00 0.00 H new ATOM 0 HG3 GLN A 106 11.809 -18.758 -0.573 1.00 0.00 H new ATOM 0 HE21 GLN A 106 14.327 -18.625 0.480 1.00 0.00 H new ATOM 0 HE22 GLN A 106 15.434 -17.842 -0.652 1.00 0.00 H new ATOM 1659 N LEU A 107 10.735 -18.063 -3.358 1.00 0.00 N ATOM 1660 CA LEU A 107 11.128 -18.945 -4.443 1.00 0.00 C ATOM 1661 C LEU A 107 12.626 -19.239 -4.339 1.00 0.00 C ATOM 1662 O LEU A 107 13.318 -18.667 -3.499 1.00 0.00 O ATOM 1663 CB LEU A 107 10.709 -18.356 -5.791 1.00 0.00 C ATOM 1664 CG LEU A 107 9.799 -19.233 -6.654 1.00 0.00 C ATOM 1665 CD1 LEU A 107 8.996 -18.386 -7.642 1.00 0.00 C ATOM 1666 CD2 LEU A 107 10.602 -20.329 -7.358 1.00 0.00 C ATOM 0 H LEU A 107 10.967 -17.080 -3.502 1.00 0.00 H new ATOM 0 HA LEU A 107 10.609 -19.900 -4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 107 10.201 -17.409 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 107 11.610 -18.130 -6.362 1.00 0.00 H new ATOM 0 HG LEU A 107 9.082 -19.729 -6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.358 -19.034 -8.242 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.378 -17.675 -7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.679 -17.843 -8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 107 9.932 -20.938 -7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.357 -19.873 -7.998 1.00 0.00 H new ATOM 0 HD23 LEU A 107 11.090 -20.958 -6.613 1.00 0.00 H new ATOM 1678 N VAL A 108 13.083 -20.131 -5.206 1.00 0.00 N ATOM 1679 CA VAL A 108 14.486 -20.508 -5.222 1.00 0.00 C ATOM 1680 C VAL A 108 14.894 -20.877 -6.650 1.00 0.00 C ATOM 1681 O VAL A 108 15.335 -21.998 -6.903 1.00 0.00 O ATOM 1682 CB VAL A 108 14.738 -21.634 -4.218 1.00 0.00 C ATOM 1683 CG1 VAL A 108 16.234 -21.920 -4.077 1.00 0.00 C ATOM 1684 CG2 VAL A 108 14.112 -21.308 -2.860 1.00 0.00 C ATOM 0 H VAL A 108 12.506 -20.603 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 108 15.110 -19.670 -4.912 1.00 0.00 H new ATOM 0 HB VAL A 108 14.260 -22.536 -4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 108 16.384 -22.725 -3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 108 16.640 -22.217 -5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 108 16.745 -21.022 -3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.306 -22.125 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.548 -20.388 -2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.036 -21.179 -2.977 1.00 0.00 H new ATOM 1694 N SER A 109 14.732 -19.915 -7.545 1.00 0.00 N ATOM 1695 CA SER A 109 15.078 -20.125 -8.941 1.00 0.00 C ATOM 1696 C SER A 109 14.532 -21.473 -9.418 1.00 0.00 C ATOM 1697 O SER A 109 15.254 -22.468 -9.434 1.00 0.00 O ATOM 1698 CB SER A 109 16.593 -20.063 -9.149 1.00 0.00 C ATOM 1699 OG SER A 109 16.955 -19.129 -10.162 1.00 0.00 O ATOM 0 H SER A 109 14.366 -18.987 -7.331 1.00 0.00 H new ATOM 0 HA SER A 109 14.625 -19.327 -9.529 1.00 0.00 H new ATOM 0 HB2 SER A 109 17.077 -19.787 -8.212 1.00 0.00 H new ATOM 0 HB3 SER A 109 16.963 -21.052 -9.419 1.00 0.00 H new ATOM 0 HG SER A 109 17.930 -19.118 -10.263 1.00 0.00 H new ATOM 1705 N GLY A 110 13.262 -21.461 -9.795 1.00 0.00 N ATOM 1706 CA GLY A 110 12.611 -22.669 -10.271 1.00 0.00 C ATOM 1707 C GLY A 110 13.252 -23.162 -11.570 1.00 0.00 C ATOM 1708 O GLY A 110 14.155 -22.519 -12.104 1.00 0.00 O ATOM 0 H GLY A 110 12.666 -20.633 -9.780 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.678 -23.447 -9.510 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.551 -22.475 -10.435 1.00 0.00 H new ATOM 1712 N PRO A 111 12.746 -24.327 -12.055 1.00 0.00 N ATOM 1713 CA PRO A 111 13.259 -24.914 -13.281 1.00 0.00 C ATOM 1714 C PRO A 111 12.758 -24.147 -14.507 1.00 0.00 C ATOM 1715 O PRO A 111 12.085 -23.126 -14.372 1.00 0.00 O ATOM 1716 CB PRO A 111 12.791 -26.359 -13.253 1.00 0.00 C ATOM 1717 CG PRO A 111 11.649 -26.407 -12.250 1.00 0.00 C ATOM 1718 CD PRO A 111 11.677 -25.116 -11.450 1.00 0.00 C ATOM 0 HA PRO A 111 14.346 -24.863 -13.348 1.00 0.00 H new ATOM 0 HB2 PRO A 111 12.458 -26.681 -14.240 1.00 0.00 H new ATOM 0 HB3 PRO A 111 13.600 -27.026 -12.956 1.00 0.00 H new ATOM 0 HG2 PRO A 111 10.694 -26.517 -12.764 1.00 0.00 H new ATOM 0 HG3 PRO A 111 11.757 -27.268 -11.590 1.00 0.00 H new ATOM 0 HD2 PRO A 111 10.721 -24.595 -11.505 1.00 0.00 H new ATOM 0 HD3 PRO A 111 11.875 -25.308 -10.395 1.00 0.00 H new ATOM 1726 N SER A 112 13.106 -24.668 -15.674 1.00 0.00 N ATOM 1727 CA SER A 112 12.700 -24.045 -16.922 1.00 0.00 C ATOM 1728 C SER A 112 11.253 -23.560 -16.819 1.00 0.00 C ATOM 1729 O SER A 112 10.322 -24.364 -16.841 1.00 0.00 O ATOM 1730 CB SER A 112 12.852 -25.014 -18.097 1.00 0.00 C ATOM 1731 OG SER A 112 14.026 -24.749 -18.859 1.00 0.00 O ATOM 0 H SER A 112 13.665 -25.515 -15.782 1.00 0.00 H new ATOM 0 HA SER A 112 13.351 -23.190 -17.104 1.00 0.00 H new ATOM 0 HB2 SER A 112 12.887 -26.037 -17.721 1.00 0.00 H new ATOM 0 HB3 SER A 112 11.977 -24.941 -18.743 1.00 0.00 H new ATOM 0 HG SER A 112 14.088 -25.390 -19.598 1.00 0.00 H new ATOM 1737 N SER A 113 11.109 -22.248 -16.708 1.00 0.00 N ATOM 1738 CA SER A 113 9.790 -21.646 -16.601 1.00 0.00 C ATOM 1739 C SER A 113 9.223 -21.875 -15.198 1.00 0.00 C ATOM 1740 O SER A 113 8.975 -20.921 -14.462 1.00 0.00 O ATOM 1741 CB SER A 113 8.839 -22.212 -17.657 1.00 0.00 C ATOM 1742 OG SER A 113 8.336 -21.197 -18.521 1.00 0.00 O ATOM 0 H SER A 113 11.883 -21.584 -16.690 1.00 0.00 H new ATOM 0 HA SER A 113 9.887 -20.575 -16.776 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.360 -22.965 -18.248 1.00 0.00 H new ATOM 0 HB3 SER A 113 8.006 -22.714 -17.164 1.00 0.00 H new ATOM 0 HG SER A 113 7.734 -21.599 -19.182 1.00 0.00 H new ATOM 1748 N GLY A 114 9.035 -23.145 -14.871 1.00 0.00 N ATOM 1749 CA GLY A 114 8.501 -23.511 -13.570 1.00 0.00 C ATOM 1750 C GLY A 114 7.022 -23.135 -13.458 1.00 0.00 C ATOM 1751 O GLY A 114 6.657 -22.267 -12.667 1.00 0.00 O ATOM 0 H GLY A 114 9.243 -23.933 -15.484 1.00 0.00 H new ATOM 0 HA2 GLY A 114 8.620 -24.583 -13.413 1.00 0.00 H new ATOM 0 HA3 GLY A 114 9.068 -23.009 -12.786 1.00 0.00 H new TER 1755 GLY A 114