USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 748 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 52 SER OG : rot -170:sc= 0 USER MOD Set 1.2: A 58 THR OG1 : rot 140:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0708 (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 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= 0.173 (180deg=0.101) USER MOD Single : A 19 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.0018) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.4!) USER MOD Single : A 35 THR OG1 : rot -153:sc= 0.362 USER MOD Single : A 38 GLN : amide:sc= -0.0219 K(o=-0.022,f=-1.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.34 K(o=-0.34,f=-3.3!) USER MOD Single : A 47 ASN : amide:sc= 0.558 K(o=0.56,f=-5.2!) USER MOD Single : A 56 SER OG : rot 160:sc= -0.786 USER MOD Single : A 57 LYS NZ :NH3+ -131:sc= 0.156 (180deg=0.00935) USER MOD Single : A 60 MET CE :methyl 174:sc= -1.29 (180deg=-1.53) USER MOD Single : A 62 ASN : amide:sc= 0.423 K(o=0.42,f=-0.26) USER MOD Single : A 63 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 148:sc= 0.921 USER MOD Single : A 79 GLN : amide:sc= -0.03 K(o=-0.03,f=-0.83) USER MOD Single : A 80 MET CE :methyl 170:sc= -2.23 (180deg=-2.47) USER MOD Single : A 82 TYR OH : rot 14:sc= 0.0367 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.8!) USER MOD Single : A 93 SER OG : rot -8:sc= -0.148 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 45:sc= 1.04 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.629 20.104 8.866 1.00 0.00 N ATOM 2 CA GLY A 1 -1.024 19.900 7.521 1.00 0.00 C ATOM 3 C GLY A 1 0.382 19.338 7.596 1.00 0.00 C ATOM 4 O GLY A 1 0.970 19.260 8.674 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.380 19.401 9.019 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.897 19.994 9.596 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.034 21.060 8.923 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.652 19.223 6.943 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.004 20.850 6.987 1.00 0.00 H new ATOM 10 N SER A 2 0.923 18.944 6.447 1.00 0.00 N ATOM 11 CA SER A 2 2.268 18.386 6.385 1.00 0.00 C ATOM 12 C SER A 2 2.372 17.120 7.231 1.00 0.00 C ATOM 13 O SER A 2 2.525 17.187 8.451 1.00 0.00 O ATOM 14 CB SER A 2 3.292 19.417 6.864 1.00 0.00 C ATOM 15 OG SER A 2 4.559 18.818 7.076 1.00 0.00 O ATOM 0 H SER A 2 0.449 19.001 5.546 1.00 0.00 H new ATOM 0 HA SER A 2 2.479 18.127 5.348 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.382 20.214 6.126 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.944 19.877 7.789 1.00 0.00 H new ATOM 0 HG SER A 2 5.196 19.498 7.380 1.00 0.00 H new ATOM 21 N SER A 3 2.287 15.968 6.575 1.00 0.00 N ATOM 22 CA SER A 3 2.372 14.686 7.266 1.00 0.00 C ATOM 23 C SER A 3 3.664 13.959 6.906 1.00 0.00 C ATOM 24 O SER A 3 4.562 13.820 7.737 1.00 0.00 O ATOM 25 CB SER A 3 1.168 13.812 6.913 1.00 0.00 C ATOM 26 OG SER A 3 0.058 14.113 7.743 1.00 0.00 O ATOM 0 H SER A 3 2.159 15.895 5.566 1.00 0.00 H new ATOM 0 HA SER A 3 2.371 14.879 8.339 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.897 13.965 5.868 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.433 12.760 7.022 1.00 0.00 H new ATOM 0 HG SER A 3 -0.699 13.542 7.496 1.00 0.00 H new ATOM 32 N GLY A 4 3.750 13.496 5.663 1.00 0.00 N ATOM 33 CA GLY A 4 4.935 12.788 5.215 1.00 0.00 C ATOM 34 C GLY A 4 5.174 12.941 3.726 1.00 0.00 C ATOM 35 O GLY A 4 4.240 13.186 2.964 1.00 0.00 O ATOM 0 H GLY A 4 3.020 13.599 4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.804 13.159 5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.835 11.730 5.457 1.00 0.00 H new ATOM 39 N SER A 5 6.428 12.796 3.311 1.00 0.00 N ATOM 40 CA SER A 5 6.787 12.920 1.902 1.00 0.00 C ATOM 41 C SER A 5 7.217 11.574 1.330 1.00 0.00 C ATOM 42 O SER A 5 6.973 11.278 0.159 1.00 0.00 O ATOM 43 CB SER A 5 7.910 13.944 1.728 1.00 0.00 C ATOM 44 OG SER A 5 7.387 15.237 1.478 1.00 0.00 O ATOM 0 H SER A 5 7.213 12.593 3.930 1.00 0.00 H new ATOM 0 HA SER A 5 5.907 13.261 1.357 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.529 13.966 2.625 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.556 13.644 0.903 1.00 0.00 H new ATOM 0 HG SER A 5 8.125 15.873 1.372 1.00 0.00 H new ATOM 50 N SER A 6 7.860 10.761 2.162 1.00 0.00 N ATOM 51 CA SER A 6 8.326 9.445 1.737 1.00 0.00 C ATOM 52 C SER A 6 7.161 8.577 1.274 1.00 0.00 C ATOM 53 O SER A 6 7.286 7.812 0.318 1.00 0.00 O ATOM 54 CB SER A 6 9.070 8.752 2.881 1.00 0.00 C ATOM 55 OG SER A 6 10.178 8.013 2.395 1.00 0.00 O ATOM 0 H SER A 6 8.070 10.990 3.134 1.00 0.00 H new ATOM 0 HA SER A 6 9.008 9.582 0.898 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.412 9.496 3.600 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.389 8.086 3.411 1.00 0.00 H new ATOM 0 HG SER A 6 10.638 7.581 3.145 1.00 0.00 H new ATOM 61 N GLY A 7 6.027 8.703 1.957 1.00 0.00 N ATOM 62 CA GLY A 7 4.857 7.923 1.600 1.00 0.00 C ATOM 63 C GLY A 7 3.561 8.662 1.874 1.00 0.00 C ATOM 64 O GLY A 7 3.537 9.623 2.643 1.00 0.00 O ATOM 0 H GLY A 7 5.898 9.331 2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.907 7.663 0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.863 6.987 2.159 1.00 0.00 H new ATOM 68 N ASP A 8 2.481 8.210 1.245 1.00 0.00 N ATOM 69 CA ASP A 8 1.174 8.833 1.425 1.00 0.00 C ATOM 70 C ASP A 8 0.167 7.833 1.985 1.00 0.00 C ATOM 71 O ASP A 8 -0.974 7.763 1.529 1.00 0.00 O ATOM 72 CB ASP A 8 0.669 9.398 0.096 1.00 0.00 C ATOM 73 CG ASP A 8 1.153 10.812 -0.153 1.00 0.00 C ATOM 74 OD1 ASP A 8 1.211 11.600 0.815 1.00 0.00 O ATOM 75 OD2 ASP A 8 1.476 11.133 -1.317 1.00 0.00 O ATOM 0 H ASP A 8 2.485 7.415 0.606 1.00 0.00 H new ATOM 0 HA ASP A 8 1.282 9.649 2.140 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.001 8.755 -0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.421 9.384 0.089 1.00 0.00 H new ATOM 80 N MET A 9 0.598 7.060 2.976 1.00 0.00 N ATOM 81 CA MET A 9 -0.265 6.063 3.600 1.00 0.00 C ATOM 82 C MET A 9 -1.048 6.664 4.763 1.00 0.00 C ATOM 83 O MET A 9 -2.096 6.148 5.149 1.00 0.00 O ATOM 84 CB MET A 9 0.567 4.875 4.088 1.00 0.00 C ATOM 85 CG MET A 9 1.194 4.067 2.965 1.00 0.00 C ATOM 86 SD MET A 9 1.222 2.298 3.313 1.00 0.00 S ATOM 87 CE MET A 9 0.405 1.653 1.855 1.00 0.00 C ATOM 0 H MET A 9 1.540 7.105 3.365 1.00 0.00 H new ATOM 0 HA MET A 9 -0.978 5.718 2.851 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.356 5.241 4.745 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.067 4.220 4.685 1.00 0.00 H new ATOM 0 HG2 MET A 9 0.640 4.243 2.043 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.213 4.416 2.796 1.00 0.00 H new ATOM 0 HE1 MET A 9 0.346 0.567 1.922 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.601 2.068 1.788 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.972 1.931 0.967 1.00 0.00 H new ATOM 97 N LYS A 10 -0.533 7.757 5.321 1.00 0.00 N ATOM 98 CA LYS A 10 -1.185 8.425 6.443 1.00 0.00 C ATOM 99 C LYS A 10 -2.627 8.791 6.101 1.00 0.00 C ATOM 100 O LYS A 10 -3.524 8.664 6.935 1.00 0.00 O ATOM 101 CB LYS A 10 -0.405 9.682 6.835 1.00 0.00 C ATOM 102 CG LYS A 10 -0.223 9.843 8.337 1.00 0.00 C ATOM 103 CD LYS A 10 0.935 10.772 8.662 1.00 0.00 C ATOM 104 CE LYS A 10 1.626 10.374 9.957 1.00 0.00 C ATOM 105 NZ LYS A 10 1.332 11.330 11.060 1.00 0.00 N ATOM 0 H LYS A 10 0.334 8.198 5.014 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.198 7.734 7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.576 9.654 6.360 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.924 10.558 6.444 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.140 10.236 8.775 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.046 8.867 8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.656 10.756 7.844 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.569 11.795 8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.304 9.374 10.248 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.703 10.327 9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.821 11.023 11.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.662 12.280 10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.307 11.356 11.233 1.00 0.00 H new ATOM 119 N GLN A 11 -2.842 9.245 4.871 1.00 0.00 N ATOM 120 CA GLN A 11 -4.174 9.628 4.420 1.00 0.00 C ATOM 121 C GLN A 11 -5.109 8.423 4.393 1.00 0.00 C ATOM 122 O GLN A 11 -6.301 8.543 4.674 1.00 0.00 O ATOM 123 CB GLN A 11 -4.101 10.264 3.030 1.00 0.00 C ATOM 124 CG GLN A 11 -3.353 9.418 2.013 1.00 0.00 C ATOM 125 CD GLN A 11 -3.493 9.947 0.599 1.00 0.00 C ATOM 126 OE1 GLN A 11 -4.411 9.570 -0.129 1.00 0.00 O ATOM 127 NE2 GLN A 11 -2.579 10.825 0.202 1.00 0.00 N ATOM 0 H GLN A 11 -2.111 9.357 4.169 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.573 10.357 5.125 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.113 10.442 2.668 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.615 11.236 3.109 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.297 9.383 2.281 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.726 8.395 2.053 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.835 11.110 0.839 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.621 11.215 -0.740 1.00 0.00 H new ATOM 136 N LEU A 12 -4.559 7.262 4.053 1.00 0.00 N ATOM 137 CA LEU A 12 -5.344 6.034 3.990 1.00 0.00 C ATOM 138 C LEU A 12 -5.878 5.657 5.368 1.00 0.00 C ATOM 139 O LEU A 12 -5.184 5.800 6.374 1.00 0.00 O ATOM 140 CB LEU A 12 -4.498 4.890 3.428 1.00 0.00 C ATOM 141 CG LEU A 12 -4.492 4.779 1.902 1.00 0.00 C ATOM 142 CD1 LEU A 12 -3.187 4.167 1.417 1.00 0.00 C ATOM 143 CD2 LEU A 12 -5.679 3.955 1.425 1.00 0.00 C ATOM 0 H LEU A 12 -3.574 7.145 3.817 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.192 6.209 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.471 5.014 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.862 3.951 3.844 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.577 5.781 1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.201 4.096 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.353 4.795 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.071 3.171 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.660 3.886 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.623 2.954 1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.605 4.434 1.742 1.00 0.00 H new ATOM 155 N ALA A 13 -7.117 5.175 5.404 1.00 0.00 N ATOM 156 CA ALA A 13 -7.744 4.777 6.659 1.00 0.00 C ATOM 157 C ALA A 13 -7.387 3.339 7.019 1.00 0.00 C ATOM 158 O ALA A 13 -7.081 2.527 6.145 1.00 0.00 O ATOM 159 CB ALA A 13 -9.254 4.942 6.568 1.00 0.00 C ATOM 0 H ALA A 13 -7.705 5.051 4.580 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.365 5.425 7.449 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.710 4.642 7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.494 5.986 6.365 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.640 4.317 5.763 1.00 0.00 H new ATOM 165 N GLU A 14 -7.429 3.030 8.311 1.00 0.00 N ATOM 166 CA GLU A 14 -7.111 1.688 8.787 1.00 0.00 C ATOM 167 C GLU A 14 -8.098 0.666 8.232 1.00 0.00 C ATOM 168 O GLU A 14 -7.714 -0.439 7.850 1.00 0.00 O ATOM 169 CB GLU A 14 -7.123 1.650 10.315 1.00 0.00 C ATOM 170 CG GLU A 14 -6.136 0.658 10.907 1.00 0.00 C ATOM 171 CD GLU A 14 -6.779 -0.282 11.908 1.00 0.00 C ATOM 172 OE1 GLU A 14 -7.596 0.190 12.726 1.00 0.00 O ATOM 173 OE2 GLU A 14 -6.467 -1.491 11.873 1.00 0.00 O ATOM 0 H GLU A 14 -7.680 3.690 9.047 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.113 1.431 8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.897 2.646 10.697 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.127 1.398 10.656 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.688 0.074 10.103 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.328 1.203 11.394 1.00 0.00 H new ATOM 180 N ASP A 15 -9.372 1.043 8.192 1.00 0.00 N ATOM 181 CA ASP A 15 -10.414 0.158 7.684 1.00 0.00 C ATOM 182 C ASP A 15 -10.151 -0.214 6.229 1.00 0.00 C ATOM 183 O ASP A 15 -10.444 -1.330 5.801 1.00 0.00 O ATOM 184 CB ASP A 15 -11.785 0.826 7.811 1.00 0.00 C ATOM 185 CG ASP A 15 -12.129 1.172 9.247 1.00 0.00 C ATOM 186 OD1 ASP A 15 -11.302 1.827 9.914 1.00 0.00 O ATOM 187 OD2 ASP A 15 -13.225 0.785 9.704 1.00 0.00 O ATOM 0 H ASP A 15 -9.707 1.954 8.505 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.404 -0.754 8.281 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.801 1.734 7.208 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.549 0.161 7.407 1.00 0.00 H new ATOM 192 N VAL A 16 -9.595 0.727 5.474 1.00 0.00 N ATOM 193 CA VAL A 16 -9.291 0.498 4.066 1.00 0.00 C ATOM 194 C VAL A 16 -8.234 -0.588 3.904 1.00 0.00 C ATOM 195 O VAL A 16 -8.434 -1.560 3.175 1.00 0.00 O ATOM 196 CB VAL A 16 -8.799 1.787 3.380 1.00 0.00 C ATOM 197 CG1 VAL A 16 -8.634 1.568 1.884 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.755 2.939 3.655 1.00 0.00 C ATOM 0 H VAL A 16 -9.345 1.656 5.813 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.217 0.175 3.590 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.825 2.047 3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.286 2.490 1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.906 0.776 1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.592 1.281 1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.390 3.840 3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.744 2.690 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.816 3.113 4.729 1.00 0.00 H new ATOM 208 N LYS A 17 -7.106 -0.416 4.586 1.00 0.00 N ATOM 209 CA LYS A 17 -6.015 -1.380 4.519 1.00 0.00 C ATOM 210 C LYS A 17 -6.362 -2.655 5.282 1.00 0.00 C ATOM 211 O LYS A 17 -5.847 -3.731 4.978 1.00 0.00 O ATOM 212 CB LYS A 17 -4.731 -0.769 5.082 1.00 0.00 C ATOM 213 CG LYS A 17 -4.377 0.576 4.465 1.00 0.00 C ATOM 214 CD LYS A 17 -4.084 1.622 5.531 1.00 0.00 C ATOM 215 CE LYS A 17 -2.589 1.838 5.703 1.00 0.00 C ATOM 216 NZ LYS A 17 -2.050 1.087 6.871 1.00 0.00 N ATOM 0 H LYS A 17 -6.924 0.384 5.192 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.859 -1.638 3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.838 -0.648 6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.906 -1.463 4.919 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.508 0.462 3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.200 0.917 3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.560 2.564 5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.519 1.308 6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.070 1.523 4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.388 2.902 5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.105 1.449 7.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.684 1.211 7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.984 0.077 6.634 1.00 0.00 H new ATOM 230 N LEU A 18 -7.238 -2.529 6.275 1.00 0.00 N ATOM 231 CA LEU A 18 -7.651 -3.672 7.081 1.00 0.00 C ATOM 232 C LEU A 18 -8.241 -4.775 6.206 1.00 0.00 C ATOM 233 O LEU A 18 -8.145 -5.958 6.532 1.00 0.00 O ATOM 234 CB LEU A 18 -8.675 -3.237 8.134 1.00 0.00 C ATOM 235 CG LEU A 18 -8.092 -2.930 9.515 1.00 0.00 C ATOM 236 CD1 LEU A 18 -9.160 -2.353 10.429 1.00 0.00 C ATOM 237 CD2 LEU A 18 -7.486 -4.186 10.127 1.00 0.00 C ATOM 0 H LEU A 18 -7.675 -1.646 6.540 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.768 -4.067 7.583 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.194 -2.350 7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.423 -4.023 8.238 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.303 -2.187 9.399 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.727 -2.141 11.406 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.549 -1.431 9.997 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.971 -3.072 10.540 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.076 -3.951 11.109 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.257 -4.949 10.229 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.691 -4.558 9.481 1.00 0.00 H new ATOM 249 N GLN A 19 -8.853 -4.379 5.094 1.00 0.00 N ATOM 250 CA GLN A 19 -9.459 -5.334 4.174 1.00 0.00 C ATOM 251 C GLN A 19 -8.395 -6.035 3.334 1.00 0.00 C ATOM 252 O GLN A 19 -8.559 -7.192 2.948 1.00 0.00 O ATOM 253 CB GLN A 19 -10.462 -4.627 3.259 1.00 0.00 C ATOM 254 CG GLN A 19 -11.568 -3.907 4.013 1.00 0.00 C ATOM 255 CD GLN A 19 -12.459 -3.090 3.098 1.00 0.00 C ATOM 256 OE1 GLN A 19 -12.986 -3.600 2.109 1.00 0.00 O ATOM 257 NE2 GLN A 19 -12.631 -1.815 3.424 1.00 0.00 N ATOM 0 H GLN A 19 -8.942 -3.404 4.809 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.982 -6.086 4.765 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.930 -3.908 2.637 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.909 -5.360 2.588 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.175 -4.638 4.547 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.125 -3.252 4.763 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.175 -1.435 4.253 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.220 -1.216 2.846 1.00 0.00 H new ATOM 266 N LEU A 20 -7.306 -5.326 3.055 1.00 0.00 N ATOM 267 CA LEU A 20 -6.216 -5.881 2.261 1.00 0.00 C ATOM 268 C LEU A 20 -5.626 -7.118 2.931 1.00 0.00 C ATOM 269 O LEU A 20 -5.149 -8.032 2.259 1.00 0.00 O ATOM 270 CB LEU A 20 -5.123 -4.831 2.053 1.00 0.00 C ATOM 271 CG LEU A 20 -5.377 -3.848 0.910 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.383 -2.699 0.961 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.301 -4.562 -0.432 1.00 0.00 C ATOM 0 H LEU A 20 -7.155 -4.367 3.367 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.620 -6.174 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.003 -4.266 2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.179 -5.344 1.868 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.380 -3.437 1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.580 -2.010 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.485 -2.171 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.370 -3.090 0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.484 -3.848 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.311 -5.001 -0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.054 -5.350 -0.468 1.00 0.00 H new ATOM 285 N TYR A 21 -5.663 -7.141 4.259 1.00 0.00 N ATOM 286 CA TYR A 21 -5.131 -8.266 5.019 1.00 0.00 C ATOM 287 C TYR A 21 -5.928 -9.538 4.740 1.00 0.00 C ATOM 288 O TYR A 21 -5.362 -10.627 4.636 1.00 0.00 O ATOM 289 CB TYR A 21 -5.155 -7.955 6.517 1.00 0.00 C ATOM 290 CG TYR A 21 -4.429 -6.681 6.882 1.00 0.00 C ATOM 291 CD1 TYR A 21 -3.189 -6.383 6.332 1.00 0.00 C ATOM 292 CD2 TYR A 21 -4.984 -5.775 7.777 1.00 0.00 C ATOM 293 CE1 TYR A 21 -2.522 -5.219 6.665 1.00 0.00 C ATOM 294 CE2 TYR A 21 -4.325 -4.608 8.113 1.00 0.00 C ATOM 295 CZ TYR A 21 -3.094 -4.335 7.555 1.00 0.00 C ATOM 296 OH TYR A 21 -2.433 -3.176 7.888 1.00 0.00 O ATOM 0 H TYR A 21 -6.056 -6.394 4.831 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.100 -8.428 4.705 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.191 -7.880 6.848 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.706 -8.787 7.060 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.739 -7.072 5.633 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.947 -5.986 8.218 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.557 -5.003 6.230 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.772 -3.913 8.809 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.973 -2.663 8.526 1.00 0.00 H new ATOM 306 N LYS A 22 -7.243 -9.393 4.622 1.00 0.00 N ATOM 307 CA LYS A 22 -8.117 -10.530 4.356 1.00 0.00 C ATOM 308 C LYS A 22 -7.976 -11.002 2.912 1.00 0.00 C ATOM 309 O LYS A 22 -8.119 -12.189 2.620 1.00 0.00 O ATOM 310 CB LYS A 22 -9.573 -10.159 4.644 1.00 0.00 C ATOM 311 CG LYS A 22 -9.957 -10.302 6.108 1.00 0.00 C ATOM 312 CD LYS A 22 -10.914 -9.203 6.543 1.00 0.00 C ATOM 313 CE LYS A 22 -12.294 -9.392 5.935 1.00 0.00 C ATOM 314 NZ LYS A 22 -13.192 -10.173 6.829 1.00 0.00 N ATOM 0 H LYS A 22 -7.727 -8.499 4.706 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.819 -11.346 5.015 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.746 -9.130 4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.226 -10.790 4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.421 -11.275 6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.059 -10.270 6.726 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.992 -9.197 7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.515 -8.233 6.247 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.739 -8.417 5.735 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.202 -9.903 4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.123 -10.280 6.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.780 -11.113 7.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.301 -9.673 7.734 1.00 0.00 H new ATOM 328 N LEU A 23 -7.694 -10.064 2.013 1.00 0.00 N ATOM 329 CA LEU A 23 -7.532 -10.386 0.599 1.00 0.00 C ATOM 330 C LEU A 23 -6.223 -11.129 0.357 1.00 0.00 C ATOM 331 O LEU A 23 -6.209 -12.205 -0.243 1.00 0.00 O ATOM 332 CB LEU A 23 -7.571 -9.110 -0.243 1.00 0.00 C ATOM 333 CG LEU A 23 -8.912 -8.373 -0.243 1.00 0.00 C ATOM 334 CD1 LEU A 23 -8.711 -6.901 -0.566 1.00 0.00 C ATOM 335 CD2 LEU A 23 -9.870 -9.014 -1.235 1.00 0.00 C ATOM 0 H LEU A 23 -7.573 -9.076 2.238 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.357 -11.034 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.800 -8.430 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.314 -9.364 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.348 -8.448 0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.675 -6.393 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.060 -6.450 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.254 -6.804 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.819 -8.478 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.441 -8.969 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.038 -10.055 -0.958 1.00 0.00 H new ATOM 347 N LEU A 24 -5.124 -10.549 0.827 1.00 0.00 N ATOM 348 CA LEU A 24 -3.808 -11.156 0.662 1.00 0.00 C ATOM 349 C LEU A 24 -3.733 -12.503 1.375 1.00 0.00 C ATOM 350 O LEU A 24 -2.975 -13.386 0.977 1.00 0.00 O ATOM 351 CB LEU A 24 -2.723 -10.220 1.199 1.00 0.00 C ATOM 352 CG LEU A 24 -2.748 -8.804 0.626 1.00 0.00 C ATOM 353 CD1 LEU A 24 -2.023 -7.840 1.553 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.126 -8.781 -0.763 1.00 0.00 C ATOM 0 H LEU A 24 -5.118 -9.659 1.325 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.643 -11.322 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.822 -10.159 2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.748 -10.662 0.992 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.787 -8.484 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.051 -6.836 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.511 -7.836 2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.986 -8.156 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.152 -7.765 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.092 -9.121 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.688 -9.441 -1.424 1.00 0.00 H new ATOM 366 N GLU A 25 -4.525 -12.653 2.433 1.00 0.00 N ATOM 367 CA GLU A 25 -4.547 -13.892 3.203 1.00 0.00 C ATOM 368 C GLU A 25 -4.894 -15.086 2.315 1.00 0.00 C ATOM 369 O GLU A 25 -4.533 -16.223 2.622 1.00 0.00 O ATOM 370 CB GLU A 25 -5.553 -13.784 4.351 1.00 0.00 C ATOM 371 CG GLU A 25 -4.957 -14.100 5.714 1.00 0.00 C ATOM 372 CD GLU A 25 -5.212 -15.530 6.144 1.00 0.00 C ATOM 373 OE1 GLU A 25 -5.015 -16.443 5.316 1.00 0.00 O ATOM 374 OE2 GLU A 25 -5.609 -15.736 7.311 1.00 0.00 O ATOM 0 H GLU A 25 -5.160 -11.932 2.776 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.550 -14.051 3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.965 -12.775 4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.384 -14.464 4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.883 -13.919 5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.377 -13.421 6.456 1.00 0.00 H new ATOM 381 N ILE A 26 -5.594 -14.823 1.216 1.00 0.00 N ATOM 382 CA ILE A 26 -5.985 -15.880 0.291 1.00 0.00 C ATOM 383 C ILE A 26 -4.757 -16.553 -0.322 1.00 0.00 C ATOM 384 O ILE A 26 -3.909 -15.886 -0.916 1.00 0.00 O ATOM 385 CB ILE A 26 -6.879 -15.333 -0.842 1.00 0.00 C ATOM 386 CG1 ILE A 26 -8.069 -14.568 -0.260 1.00 0.00 C ATOM 387 CG2 ILE A 26 -7.360 -16.467 -1.738 1.00 0.00 C ATOM 388 CD1 ILE A 26 -8.633 -13.524 -1.198 1.00 0.00 C ATOM 0 H ILE A 26 -5.901 -13.889 0.945 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.550 -16.614 0.866 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.288 -14.645 -1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.856 -15.277 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.761 -14.084 0.667 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.989 -16.062 -2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.500 -16.972 -2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.935 -17.179 -1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.474 -13.021 -0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.860 -12.793 -1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.972 -14.005 -2.116 1.00 0.00 H new ATOM 400 N PRO A 27 -4.641 -17.887 -0.186 1.00 0.00 N ATOM 401 CA PRO A 27 -3.507 -18.638 -0.731 1.00 0.00 C ATOM 402 C PRO A 27 -3.601 -18.808 -2.245 1.00 0.00 C ATOM 403 O PRO A 27 -3.666 -19.929 -2.751 1.00 0.00 O ATOM 404 CB PRO A 27 -3.618 -19.993 -0.032 1.00 0.00 C ATOM 405 CG PRO A 27 -5.073 -20.153 0.243 1.00 0.00 C ATOM 406 CD PRO A 27 -5.603 -18.768 0.508 1.00 0.00 C ATOM 0 HA PRO A 27 -2.557 -18.131 -0.561 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.243 -20.798 -0.664 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.035 -20.013 0.889 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.582 -20.609 -0.606 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.238 -20.804 1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.613 -18.644 0.118 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.645 -18.553 1.576 1.00 0.00 H new ATOM 414 N ASP A 28 -3.607 -17.690 -2.962 1.00 0.00 N ATOM 415 CA ASP A 28 -3.694 -17.716 -4.418 1.00 0.00 C ATOM 416 C ASP A 28 -2.429 -17.137 -5.049 1.00 0.00 C ATOM 417 O ASP A 28 -1.831 -16.205 -4.515 1.00 0.00 O ATOM 418 CB ASP A 28 -4.920 -16.932 -4.890 1.00 0.00 C ATOM 419 CG ASP A 28 -6.141 -17.815 -5.058 1.00 0.00 C ATOM 420 OD1 ASP A 28 -5.967 -19.027 -5.309 1.00 0.00 O ATOM 421 OD2 ASP A 28 -7.270 -17.295 -4.940 1.00 0.00 O ATOM 0 H ASP A 28 -3.553 -16.754 -2.559 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.793 -18.755 -4.734 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.142 -16.143 -4.172 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.694 -16.445 -5.839 1.00 0.00 H new ATOM 426 N PRO A 29 -2.006 -17.684 -6.203 1.00 0.00 N ATOM 427 CA PRO A 29 -0.806 -17.214 -6.905 1.00 0.00 C ATOM 428 C PRO A 29 -0.831 -15.710 -7.153 1.00 0.00 C ATOM 429 O PRO A 29 0.144 -15.010 -6.881 1.00 0.00 O ATOM 430 CB PRO A 29 -0.849 -17.974 -8.233 1.00 0.00 C ATOM 431 CG PRO A 29 -1.642 -19.200 -7.943 1.00 0.00 C ATOM 432 CD PRO A 29 -2.659 -18.800 -6.912 1.00 0.00 C ATOM 0 HA PRO A 29 0.100 -17.392 -6.325 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.316 -17.377 -9.016 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.154 -18.224 -8.579 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.127 -19.574 -8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.002 -20.000 -7.570 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.597 -18.490 -7.372 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.892 -19.623 -6.237 1.00 0.00 H new ATOM 440 N ASP A 30 -1.952 -15.219 -7.671 1.00 0.00 N ATOM 441 CA ASP A 30 -2.103 -13.797 -7.958 1.00 0.00 C ATOM 442 C ASP A 30 -3.020 -13.128 -6.940 1.00 0.00 C ATOM 443 O ASP A 30 -3.775 -12.216 -7.276 1.00 0.00 O ATOM 444 CB ASP A 30 -2.657 -13.598 -9.370 1.00 0.00 C ATOM 445 CG ASP A 30 -1.617 -13.860 -10.441 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.716 -13.012 -10.614 1.00 0.00 O ATOM 447 OD2 ASP A 30 -1.704 -14.913 -11.108 1.00 0.00 O ATOM 0 H ASP A 30 -2.769 -15.785 -7.901 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.119 -13.332 -7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.506 -14.264 -9.521 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.030 -12.579 -9.471 1.00 0.00 H new ATOM 452 N LYS A 31 -2.950 -13.588 -5.695 1.00 0.00 N ATOM 453 CA LYS A 31 -3.774 -13.032 -4.628 1.00 0.00 C ATOM 454 C LYS A 31 -3.199 -13.380 -3.259 1.00 0.00 C ATOM 455 O LYS A 31 -3.935 -13.531 -2.283 1.00 0.00 O ATOM 456 CB LYS A 31 -5.210 -13.552 -4.742 1.00 0.00 C ATOM 457 CG LYS A 31 -6.149 -12.596 -5.460 1.00 0.00 C ATOM 458 CD LYS A 31 -7.590 -13.072 -5.389 1.00 0.00 C ATOM 459 CE LYS A 31 -8.489 -12.269 -6.316 1.00 0.00 C ATOM 460 NZ LYS A 31 -9.886 -12.786 -6.321 1.00 0.00 N ATOM 0 H LYS A 31 -2.332 -14.344 -5.400 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.779 -11.947 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.201 -14.505 -5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.598 -13.746 -3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.070 -11.604 -5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.847 -12.502 -6.503 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.639 -14.127 -5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.953 -12.986 -4.365 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.490 -11.224 -6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.087 -12.300 -7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.466 -12.212 -6.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.889 -13.775 -6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.279 -12.733 -5.360 1.00 0.00 H new ATOM 474 N ASN A 32 -1.877 -13.503 -3.192 1.00 0.00 N ATOM 475 CA ASN A 32 -1.202 -13.832 -1.942 1.00 0.00 C ATOM 476 C ASN A 32 -0.384 -12.647 -1.436 1.00 0.00 C ATOM 477 O ASN A 32 0.077 -11.819 -2.221 1.00 0.00 O ATOM 478 CB ASN A 32 -0.293 -15.048 -2.133 1.00 0.00 C ATOM 479 CG ASN A 32 0.370 -15.485 -0.842 1.00 0.00 C ATOM 480 OD1 ASN A 32 1.586 -15.664 -0.785 1.00 0.00 O ATOM 481 ND2 ASN A 32 -0.430 -15.657 0.204 1.00 0.00 N ATOM 0 H ASN A 32 -1.252 -13.380 -3.989 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.964 -14.069 -1.199 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.878 -15.875 -2.536 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.474 -14.812 -2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.041 -15.949 1.101 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.433 -15.497 0.111 1.00 0.00 H new ATOM 488 N TRP A 33 -0.211 -12.572 -0.120 1.00 0.00 N ATOM 489 CA TRP A 33 0.549 -11.488 0.491 1.00 0.00 C ATOM 490 C TRP A 33 1.999 -11.507 0.017 1.00 0.00 C ATOM 491 O TRP A 33 2.638 -10.461 -0.098 1.00 0.00 O ATOM 492 CB TRP A 33 0.498 -11.595 2.015 1.00 0.00 C ATOM 493 CG TRP A 33 0.989 -12.911 2.535 1.00 0.00 C ATOM 494 CD1 TRP A 33 0.232 -14.001 2.857 1.00 0.00 C ATOM 495 CD2 TRP A 33 2.349 -13.276 2.796 1.00 0.00 C ATOM 496 NE1 TRP A 33 1.038 -15.021 3.302 1.00 0.00 N ATOM 497 CE2 TRP A 33 2.342 -14.602 3.273 1.00 0.00 C ATOM 498 CE3 TRP A 33 3.573 -12.612 2.671 1.00 0.00 C ATOM 499 CZ2 TRP A 33 3.510 -15.273 3.624 1.00 0.00 C ATOM 500 CZ3 TRP A 33 4.731 -13.280 3.021 1.00 0.00 C ATOM 501 CH2 TRP A 33 4.693 -14.599 3.492 1.00 0.00 C ATOM 0 H TRP A 33 -0.587 -13.249 0.543 1.00 0.00 H new ATOM 0 HA TRP A 33 0.097 -10.544 0.186 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.098 -10.795 2.448 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.528 -11.441 2.349 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -0.844 -14.054 2.774 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.717 -15.941 3.605 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.613 -11.596 2.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 3.483 -16.290 3.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.682 -12.776 2.930 1.00 0.00 H new ATOM 0 HH2 TRP A 33 5.616 -15.093 3.756 1.00 0.00 H new ATOM 512 N ALA A 34 2.512 -12.702 -0.257 1.00 0.00 N ATOM 513 CA ALA A 34 3.886 -12.857 -0.719 1.00 0.00 C ATOM 514 C ALA A 34 4.085 -12.197 -2.078 1.00 0.00 C ATOM 515 O ALA A 34 5.094 -11.532 -2.315 1.00 0.00 O ATOM 516 CB ALA A 34 4.255 -14.332 -0.787 1.00 0.00 C ATOM 0 H ALA A 34 1.996 -13.577 -0.167 1.00 0.00 H new ATOM 0 HA ALA A 34 4.543 -12.361 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.283 -14.434 -1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.160 -14.777 0.203 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.586 -14.843 -1.480 1.00 0.00 H new ATOM 522 N THR A 35 3.118 -12.384 -2.969 1.00 0.00 N ATOM 523 CA THR A 35 3.186 -11.807 -4.307 1.00 0.00 C ATOM 524 C THR A 35 3.225 -10.284 -4.243 1.00 0.00 C ATOM 525 O THR A 35 3.931 -9.638 -5.017 1.00 0.00 O ATOM 526 CB THR A 35 1.991 -12.264 -5.145 1.00 0.00 C ATOM 527 OG1 THR A 35 1.465 -13.481 -4.646 1.00 0.00 O ATOM 528 CG2 THR A 35 2.328 -12.473 -6.605 1.00 0.00 C ATOM 0 H THR A 35 2.276 -12.931 -2.789 1.00 0.00 H new ATOM 0 HA THR A 35 4.105 -12.156 -4.778 1.00 0.00 H new ATOM 0 HB THR A 35 1.261 -11.458 -5.070 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.035 -13.975 -5.375 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.436 -12.796 -7.142 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.690 -11.538 -7.032 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.102 -13.236 -6.694 1.00 0.00 H new ATOM 536 N LEU A 36 2.462 -9.717 -3.314 1.00 0.00 N ATOM 537 CA LEU A 36 2.409 -8.268 -3.149 1.00 0.00 C ATOM 538 C LEU A 36 3.740 -7.731 -2.633 1.00 0.00 C ATOM 539 O LEU A 36 4.146 -6.620 -2.974 1.00 0.00 O ATOM 540 CB LEU A 36 1.283 -7.885 -2.187 1.00 0.00 C ATOM 541 CG LEU A 36 1.087 -6.382 -1.987 1.00 0.00 C ATOM 542 CD1 LEU A 36 0.364 -5.773 -3.179 1.00 0.00 C ATOM 543 CD2 LEU A 36 0.318 -6.112 -0.702 1.00 0.00 C ATOM 0 H LEU A 36 1.872 -10.238 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 36 2.212 -7.822 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.350 -8.312 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.482 -8.342 -1.218 1.00 0.00 H new ATOM 0 HG LEU A 36 2.069 -5.915 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.234 -4.703 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.952 -5.935 -4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.612 -6.244 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.187 -5.037 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.659 -6.593 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.874 -6.512 0.146 1.00 0.00 H new ATOM 555 N ALA A 37 4.414 -8.527 -1.810 1.00 0.00 N ATOM 556 CA ALA A 37 5.699 -8.132 -1.247 1.00 0.00 C ATOM 557 C ALA A 37 6.725 -7.879 -2.346 1.00 0.00 C ATOM 558 O ALA A 37 7.529 -6.952 -2.258 1.00 0.00 O ATOM 559 CB ALA A 37 6.204 -9.198 -0.286 1.00 0.00 C ATOM 0 H ALA A 37 4.091 -9.450 -1.518 1.00 0.00 H new ATOM 0 HA ALA A 37 5.557 -7.201 -0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.165 -8.890 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.486 -9.328 0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.324 -10.141 -0.819 1.00 0.00 H new ATOM 565 N GLN A 38 6.692 -8.711 -3.383 1.00 0.00 N ATOM 566 CA GLN A 38 7.619 -8.577 -4.501 1.00 0.00 C ATOM 567 C GLN A 38 7.303 -7.331 -5.323 1.00 0.00 C ATOM 568 O GLN A 38 8.204 -6.585 -5.707 1.00 0.00 O ATOM 569 CB GLN A 38 7.559 -9.820 -5.391 1.00 0.00 C ATOM 570 CG GLN A 38 8.102 -11.072 -4.722 1.00 0.00 C ATOM 571 CD GLN A 38 7.729 -12.340 -5.467 1.00 0.00 C ATOM 572 OE1 GLN A 38 6.674 -12.415 -6.098 1.00 0.00 O ATOM 573 NE2 GLN A 38 8.594 -13.344 -5.397 1.00 0.00 N ATOM 0 H GLN A 38 6.033 -9.485 -3.472 1.00 0.00 H new ATOM 0 HA GLN A 38 8.626 -8.477 -4.097 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.525 -9.995 -5.687 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.124 -9.631 -6.304 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.188 -11.001 -4.654 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.721 -11.129 -3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.456 -13.238 -4.863 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.397 -14.222 -5.878 1.00 0.00 H new ATOM 582 N LYS A 39 6.020 -7.112 -5.587 1.00 0.00 N ATOM 583 CA LYS A 39 5.586 -5.956 -6.363 1.00 0.00 C ATOM 584 C LYS A 39 6.000 -4.657 -5.679 1.00 0.00 C ATOM 585 O LYS A 39 6.518 -3.743 -6.321 1.00 0.00 O ATOM 586 CB LYS A 39 4.069 -5.984 -6.554 1.00 0.00 C ATOM 587 CG LYS A 39 3.629 -6.680 -7.833 1.00 0.00 C ATOM 588 CD LYS A 39 4.149 -8.106 -7.897 1.00 0.00 C ATOM 589 CE LYS A 39 4.133 -8.641 -9.319 1.00 0.00 C ATOM 590 NZ LYS A 39 5.319 -9.495 -9.605 1.00 0.00 N ATOM 0 H LYS A 39 5.262 -7.719 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 39 6.069 -6.002 -7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.613 -6.487 -5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.693 -4.961 -6.559 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.540 -6.685 -7.890 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.990 -6.121 -8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.165 -8.142 -7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.539 -8.746 -7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.223 -9.219 -9.479 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.109 -7.807 -10.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.270 -9.840 -10.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.187 -8.937 -9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.329 -10.305 -8.953 1.00 0.00 H new ATOM 604 N LEU A 40 5.767 -4.582 -4.372 1.00 0.00 N ATOM 605 CA LEU A 40 6.115 -3.395 -3.601 1.00 0.00 C ATOM 606 C LEU A 40 7.627 -3.269 -3.447 1.00 0.00 C ATOM 607 O LEU A 40 8.240 -2.341 -3.975 1.00 0.00 O ATOM 608 CB LEU A 40 5.455 -3.446 -2.222 1.00 0.00 C ATOM 609 CG LEU A 40 3.929 -3.548 -2.237 1.00 0.00 C ATOM 610 CD1 LEU A 40 3.388 -3.673 -0.821 1.00 0.00 C ATOM 611 CD2 LEU A 40 3.322 -2.342 -2.938 1.00 0.00 C ATOM 0 H LEU A 40 5.339 -5.329 -3.826 1.00 0.00 H new ATOM 0 HA LEU A 40 5.749 -2.522 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.855 -4.300 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.739 -2.552 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 40 3.649 -4.444 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.301 -3.744 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.797 -4.568 -0.353 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.678 -2.796 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.236 -2.431 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.611 -1.432 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.684 -2.298 -3.965 1.00 0.00 H new ATOM 623 N GLY A 41 8.223 -4.209 -2.721 1.00 0.00 N ATOM 624 CA GLY A 41 9.658 -4.185 -2.510 1.00 0.00 C ATOM 625 C GLY A 41 10.056 -4.750 -1.159 1.00 0.00 C ATOM 626 O GLY A 41 10.889 -4.173 -0.460 1.00 0.00 O ATOM 0 H GLY A 41 7.737 -4.987 -2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.148 -4.757 -3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.017 -3.159 -2.591 1.00 0.00 H new ATOM 630 N LEU A 42 9.459 -5.879 -0.792 1.00 0.00 N ATOM 631 CA LEU A 42 9.755 -6.522 0.483 1.00 0.00 C ATOM 632 C LEU A 42 9.944 -8.025 0.303 1.00 0.00 C ATOM 633 O LEU A 42 9.647 -8.810 1.203 1.00 0.00 O ATOM 634 CB LEU A 42 8.631 -6.255 1.486 1.00 0.00 C ATOM 635 CG LEU A 42 8.256 -4.782 1.663 1.00 0.00 C ATOM 636 CD1 LEU A 42 6.750 -4.596 1.559 1.00 0.00 C ATOM 637 CD2 LEU A 42 8.768 -4.256 2.997 1.00 0.00 C ATOM 0 H LEU A 42 8.767 -6.368 -1.360 1.00 0.00 H new ATOM 0 HA LEU A 42 10.684 -6.100 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.744 -6.804 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.926 -6.658 2.455 1.00 0.00 H new ATOM 0 HG LEU A 42 8.728 -4.211 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.504 -3.542 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.409 -4.931 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.257 -5.181 2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.492 -3.207 3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.326 -4.833 3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.853 -4.351 3.033 1.00 0.00 H new ATOM 649 N GLY A 43 10.439 -8.419 -0.866 1.00 0.00 N ATOM 650 CA GLY A 43 10.658 -9.826 -1.143 1.00 0.00 C ATOM 651 C GLY A 43 11.689 -10.445 -0.220 1.00 0.00 C ATOM 652 O GLY A 43 11.573 -11.610 0.159 1.00 0.00 O ATOM 0 H GLY A 43 10.692 -7.788 -1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.715 -10.364 -1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.983 -9.943 -2.177 1.00 0.00 H new ATOM 656 N ILE A 44 12.702 -9.664 0.141 1.00 0.00 N ATOM 657 CA ILE A 44 13.758 -10.141 1.025 1.00 0.00 C ATOM 658 C ILE A 44 13.243 -10.322 2.451 1.00 0.00 C ATOM 659 O ILE A 44 13.753 -11.152 3.204 1.00 0.00 O ATOM 660 CB ILE A 44 14.959 -9.174 1.037 1.00 0.00 C ATOM 661 CG1 ILE A 44 16.100 -9.744 1.885 1.00 0.00 C ATOM 662 CG2 ILE A 44 14.537 -7.806 1.556 1.00 0.00 C ATOM 663 CD1 ILE A 44 17.449 -9.679 1.204 1.00 0.00 C ATOM 0 H ILE A 44 12.813 -8.698 -0.166 1.00 0.00 H new ATOM 0 HA ILE A 44 14.085 -11.106 0.638 1.00 0.00 H new ATOM 0 HB ILE A 44 15.318 -9.058 0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.151 -9.197 2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.876 -10.782 2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.397 -7.136 1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.759 -7.396 0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.152 -7.905 2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 44 18.209 -10.100 1.862 1.00 0.00 H new ATOM 0 HD12 ILE A 44 17.416 -10.250 0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 44 17.695 -8.641 0.982 1.00 0.00 H new ATOM 675 N LEU A 45 12.232 -9.540 2.815 1.00 0.00 N ATOM 676 CA LEU A 45 11.650 -9.616 4.150 1.00 0.00 C ATOM 677 C LEU A 45 10.385 -10.468 4.148 1.00 0.00 C ATOM 678 O LEU A 45 9.474 -10.246 4.945 1.00 0.00 O ATOM 679 CB LEU A 45 11.332 -8.213 4.670 1.00 0.00 C ATOM 680 CG LEU A 45 12.537 -7.281 4.796 1.00 0.00 C ATOM 681 CD1 LEU A 45 12.126 -5.840 4.536 1.00 0.00 C ATOM 682 CD2 LEU A 45 13.171 -7.415 6.172 1.00 0.00 C ATOM 0 H LEU A 45 11.799 -8.847 2.205 1.00 0.00 H new ATOM 0 HA LEU A 45 12.380 -10.086 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.603 -7.752 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 45 10.858 -8.303 5.647 1.00 0.00 H new ATOM 0 HG LEU A 45 13.275 -7.568 4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.996 -5.191 4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.716 -5.754 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 45 11.370 -5.541 5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.027 -6.745 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.440 -7.154 6.937 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.501 -8.443 6.322 1.00 0.00 H new ATOM 694 N ASN A 46 10.336 -11.446 3.248 1.00 0.00 N ATOM 695 CA ASN A 46 9.182 -12.331 3.144 1.00 0.00 C ATOM 696 C ASN A 46 9.156 -13.326 4.302 1.00 0.00 C ATOM 697 O ASN A 46 8.088 -13.738 4.755 1.00 0.00 O ATOM 698 CB ASN A 46 9.205 -13.080 1.809 1.00 0.00 C ATOM 699 CG ASN A 46 8.185 -12.540 0.827 1.00 0.00 C ATOM 700 OD1 ASN A 46 7.240 -11.850 1.210 1.00 0.00 O ATOM 701 ND2 ASN A 46 8.369 -12.854 -0.450 1.00 0.00 N ATOM 0 H ASN A 46 11.082 -11.645 2.581 1.00 0.00 H new ATOM 0 HA ASN A 46 8.280 -11.721 3.192 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.201 -13.007 1.372 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.011 -14.138 1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.713 -12.521 -1.157 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.166 -13.429 -0.724 1.00 0.00 H new ATOM 708 N ASN A 47 10.338 -13.706 4.774 1.00 0.00 N ATOM 709 CA ASN A 47 10.451 -14.650 5.880 1.00 0.00 C ATOM 710 C ASN A 47 9.997 -14.013 7.189 1.00 0.00 C ATOM 711 O ASN A 47 9.468 -14.690 8.070 1.00 0.00 O ATOM 712 CB ASN A 47 11.893 -15.142 6.011 1.00 0.00 C ATOM 713 CG ASN A 47 12.892 -14.003 6.043 1.00 0.00 C ATOM 714 OD1 ASN A 47 12.860 -13.110 5.197 1.00 0.00 O ATOM 715 ND2 ASN A 47 13.788 -14.028 7.023 1.00 0.00 N ATOM 0 H ASN A 47 11.231 -13.375 4.408 1.00 0.00 H new ATOM 0 HA ASN A 47 9.802 -15.500 5.668 1.00 0.00 H new ATOM 0 HB2 ASN A 47 11.991 -15.733 6.922 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.126 -15.802 5.176 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.486 -13.287 7.095 1.00 0.00 H new ATOM 0 HD22 ASN A 47 13.778 -14.788 7.704 1.00 0.00 H new ATOM 722 N ALA A 48 10.211 -12.706 7.309 1.00 0.00 N ATOM 723 CA ALA A 48 9.824 -11.977 8.509 1.00 0.00 C ATOM 724 C ALA A 48 8.306 -11.907 8.644 1.00 0.00 C ATOM 725 O ALA A 48 7.770 -11.927 9.752 1.00 0.00 O ATOM 726 CB ALA A 48 10.418 -10.575 8.489 1.00 0.00 C ATOM 0 H ALA A 48 10.650 -12.132 6.589 1.00 0.00 H new ATOM 0 HA ALA A 48 10.215 -12.515 9.373 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.121 -10.041 9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.505 -10.641 8.448 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.054 -10.038 7.613 1.00 0.00 H new ATOM 732 N PHE A 49 7.620 -11.825 7.509 1.00 0.00 N ATOM 733 CA PHE A 49 6.164 -11.753 7.501 1.00 0.00 C ATOM 734 C PHE A 49 5.549 -13.137 7.681 1.00 0.00 C ATOM 735 O PHE A 49 4.526 -13.290 8.347 1.00 0.00 O ATOM 736 CB PHE A 49 5.671 -11.129 6.194 1.00 0.00 C ATOM 737 CG PHE A 49 6.402 -9.873 5.813 1.00 0.00 C ATOM 738 CD1 PHE A 49 6.667 -8.896 6.759 1.00 0.00 C ATOM 739 CD2 PHE A 49 6.824 -9.669 4.508 1.00 0.00 C ATOM 740 CE1 PHE A 49 7.339 -7.740 6.411 1.00 0.00 C ATOM 741 CE2 PHE A 49 7.496 -8.515 4.155 1.00 0.00 C ATOM 742 CZ PHE A 49 7.754 -7.549 5.108 1.00 0.00 C ATOM 0 H PHE A 49 8.049 -11.807 6.584 1.00 0.00 H new ATOM 0 HA PHE A 49 5.852 -11.126 8.336 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.776 -11.858 5.391 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.608 -10.907 6.286 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.345 -9.040 7.780 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.625 -10.421 3.759 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.540 -6.986 7.158 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.819 -8.368 3.135 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.279 -6.646 4.834 1.00 0.00 H new ATOM 752 N ARG A 50 6.180 -14.141 7.082 1.00 0.00 N ATOM 753 CA ARG A 50 5.694 -15.514 7.176 1.00 0.00 C ATOM 754 C ARG A 50 5.720 -16.001 8.621 1.00 0.00 C ATOM 755 O ARG A 50 4.765 -16.617 9.096 1.00 0.00 O ATOM 756 CB ARG A 50 6.539 -16.438 6.298 1.00 0.00 C ATOM 757 CG ARG A 50 5.732 -17.524 5.606 1.00 0.00 C ATOM 758 CD ARG A 50 6.424 -18.875 5.691 1.00 0.00 C ATOM 759 NE ARG A 50 5.572 -19.958 5.204 1.00 0.00 N ATOM 760 CZ ARG A 50 5.771 -21.243 5.487 1.00 0.00 C ATOM 761 NH1 ARG A 50 6.790 -21.610 6.254 1.00 0.00 N ATOM 762 NH2 ARG A 50 4.948 -22.163 5.003 1.00 0.00 N ATOM 0 H ARG A 50 7.028 -14.031 6.527 1.00 0.00 H new ATOM 0 HA ARG A 50 4.663 -15.534 6.823 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.051 -15.841 5.544 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.309 -16.905 6.912 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.744 -17.591 6.062 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.582 -17.256 4.560 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.345 -18.848 5.108 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.707 -19.073 6.725 1.00 0.00 H new ATOM 0 HE ARG A 50 4.778 -19.714 4.612 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.425 -20.906 6.630 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.938 -22.596 6.468 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.163 -21.886 4.414 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.100 -23.148 5.220 1.00 0.00 H new ATOM 776 N LEU A 51 6.818 -15.722 9.316 1.00 0.00 N ATOM 777 CA LEU A 51 6.968 -16.132 10.708 1.00 0.00 C ATOM 778 C LEU A 51 5.867 -15.528 11.574 1.00 0.00 C ATOM 779 O LEU A 51 5.417 -16.143 12.541 1.00 0.00 O ATOM 780 CB LEU A 51 8.338 -15.713 11.240 1.00 0.00 C ATOM 781 CG LEU A 51 9.523 -16.486 10.658 1.00 0.00 C ATOM 782 CD1 LEU A 51 10.837 -15.907 11.162 1.00 0.00 C ATOM 783 CD2 LEU A 51 9.420 -17.962 11.009 1.00 0.00 C ATOM 0 H LEU A 51 7.617 -15.213 8.938 1.00 0.00 H new ATOM 0 HA LEU A 51 6.886 -17.218 10.752 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.481 -14.652 11.036 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.342 -15.833 12.323 1.00 0.00 H new ATOM 0 HG LEU A 51 9.499 -16.388 9.573 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.669 -16.469 10.738 1.00 0.00 H new ATOM 0 HD12 LEU A 51 10.914 -14.862 10.860 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.871 -15.974 12.249 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.271 -18.497 10.587 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.419 -18.079 12.093 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.496 -18.370 10.599 1.00 0.00 H new ATOM 795 N SER A 52 5.437 -14.321 11.220 1.00 0.00 N ATOM 796 CA SER A 52 4.388 -13.633 11.964 1.00 0.00 C ATOM 797 C SER A 52 3.035 -14.305 11.744 1.00 0.00 C ATOM 798 O SER A 52 2.840 -15.019 10.759 1.00 0.00 O ATOM 799 CB SER A 52 4.316 -12.165 11.543 1.00 0.00 C ATOM 800 OG SER A 52 5.330 -11.403 12.176 1.00 0.00 O ATOM 0 H SER A 52 5.799 -13.799 10.422 1.00 0.00 H new ATOM 0 HA SER A 52 4.632 -13.688 13.025 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.421 -12.088 10.461 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.338 -11.758 11.798 1.00 0.00 H new ATOM 0 HG SER A 52 5.169 -10.449 12.018 1.00 0.00 H new ATOM 806 N PRO A 53 2.079 -14.083 12.662 1.00 0.00 N ATOM 807 CA PRO A 53 0.738 -14.669 12.562 1.00 0.00 C ATOM 808 C PRO A 53 -0.039 -14.135 11.363 1.00 0.00 C ATOM 809 O PRO A 53 -0.918 -14.810 10.829 1.00 0.00 O ATOM 810 CB PRO A 53 0.060 -14.248 13.870 1.00 0.00 C ATOM 811 CG PRO A 53 0.808 -13.041 14.317 1.00 0.00 C ATOM 812 CD PRO A 53 2.227 -13.244 13.864 1.00 0.00 C ATOM 0 HA PRO A 53 0.778 -15.749 12.419 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.995 -14.024 13.714 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.110 -15.042 14.615 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.385 -12.136 13.882 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.756 -12.928 15.400 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.717 -12.297 13.636 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.827 -13.738 14.628 1.00 0.00 H new ATOM 820 N ALA A 54 0.291 -12.916 10.946 1.00 0.00 N ATOM 821 CA ALA A 54 -0.375 -12.291 9.811 1.00 0.00 C ATOM 822 C ALA A 54 0.626 -11.550 8.928 1.00 0.00 C ATOM 823 O ALA A 54 0.869 -10.358 9.117 1.00 0.00 O ATOM 824 CB ALA A 54 -1.460 -11.340 10.293 1.00 0.00 C ATOM 0 H ALA A 54 1.016 -12.343 11.378 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.836 -13.078 9.214 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.949 -10.880 9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.196 -11.893 10.876 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.014 -10.564 10.915 1.00 0.00 H new ATOM 830 N PRO A 55 1.222 -12.250 7.947 1.00 0.00 N ATOM 831 CA PRO A 55 2.201 -11.651 7.033 1.00 0.00 C ATOM 832 C PRO A 55 1.690 -10.362 6.397 1.00 0.00 C ATOM 833 O PRO A 55 2.408 -9.366 6.328 1.00 0.00 O ATOM 834 CB PRO A 55 2.400 -12.731 5.967 1.00 0.00 C ATOM 835 CG PRO A 55 2.069 -14.008 6.658 1.00 0.00 C ATOM 836 CD PRO A 55 0.990 -13.677 7.652 1.00 0.00 C ATOM 0 HA PRO A 55 3.119 -11.368 7.549 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.749 -12.565 5.108 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.424 -12.736 5.594 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.726 -14.759 5.946 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.946 -14.420 7.157 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.004 -13.845 7.237 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.069 -14.291 8.549 1.00 0.00 H new ATOM 844 N SER A 56 0.444 -10.391 5.936 1.00 0.00 N ATOM 845 CA SER A 56 -0.164 -9.225 5.306 1.00 0.00 C ATOM 846 C SER A 56 -0.251 -8.061 6.287 1.00 0.00 C ATOM 847 O SER A 56 -0.191 -6.897 5.890 1.00 0.00 O ATOM 848 CB SER A 56 -1.559 -9.572 4.782 1.00 0.00 C ATOM 849 OG SER A 56 -1.605 -10.901 4.293 1.00 0.00 O ATOM 0 H SER A 56 -0.164 -11.208 5.987 1.00 0.00 H new ATOM 0 HA SER A 56 0.466 -8.925 4.469 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.291 -9.449 5.580 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.835 -8.879 3.987 1.00 0.00 H new ATOM 0 HG SER A 56 -2.535 -11.208 4.266 1.00 0.00 H new ATOM 855 N LYS A 57 -0.395 -8.381 7.569 1.00 0.00 N ATOM 856 CA LYS A 57 -0.491 -7.360 8.606 1.00 0.00 C ATOM 857 C LYS A 57 0.876 -6.750 8.897 1.00 0.00 C ATOM 858 O LYS A 57 0.980 -5.576 9.256 1.00 0.00 O ATOM 859 CB LYS A 57 -1.080 -7.955 9.886 1.00 0.00 C ATOM 860 CG LYS A 57 -1.730 -6.922 10.793 1.00 0.00 C ATOM 861 CD LYS A 57 -2.860 -7.529 11.608 1.00 0.00 C ATOM 862 CE LYS A 57 -3.734 -6.455 12.234 1.00 0.00 C ATOM 863 NZ LYS A 57 -4.564 -5.751 11.218 1.00 0.00 N ATOM 0 H LYS A 57 -0.448 -9.339 7.915 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.151 -6.572 8.244 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.820 -8.709 9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.290 -8.465 10.437 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.981 -6.503 11.464 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.115 -6.099 10.191 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.469 -8.168 10.968 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.445 -8.164 12.391 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.384 -6.907 12.983 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.105 -5.732 12.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.472 -4.723 11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.241 -6.011 10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.560 -6.026 11.333 1.00 0.00 H new ATOM 877 N THR A 58 1.924 -7.553 8.740 1.00 0.00 N ATOM 878 CA THR A 58 3.284 -7.091 8.985 1.00 0.00 C ATOM 879 C THR A 58 3.850 -6.388 7.755 1.00 0.00 C ATOM 880 O THR A 58 4.674 -5.481 7.871 1.00 0.00 O ATOM 881 CB THR A 58 4.182 -8.267 9.373 1.00 0.00 C ATOM 882 OG1 THR A 58 3.481 -9.185 10.191 1.00 0.00 O ATOM 883 CG2 THR A 58 5.430 -7.847 10.119 1.00 0.00 C ATOM 0 H THR A 58 1.856 -8.527 8.444 1.00 0.00 H new ATOM 0 HA THR A 58 3.256 -6.377 9.808 1.00 0.00 H new ATOM 0 HB THR A 58 4.479 -8.726 8.430 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.717 -10.100 9.932 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.022 -8.729 10.364 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.020 -7.177 9.493 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.149 -7.332 11.038 1.00 0.00 H new ATOM 891 N LEU A 59 3.402 -6.814 6.579 1.00 0.00 N ATOM 892 CA LEU A 59 3.862 -6.224 5.327 1.00 0.00 C ATOM 893 C LEU A 59 3.543 -4.733 5.276 1.00 0.00 C ATOM 894 O LEU A 59 4.433 -3.903 5.094 1.00 0.00 O ATOM 895 CB LEU A 59 3.217 -6.937 4.137 1.00 0.00 C ATOM 896 CG LEU A 59 3.844 -6.623 2.776 1.00 0.00 C ATOM 897 CD1 LEU A 59 5.010 -7.558 2.498 1.00 0.00 C ATOM 898 CD2 LEU A 59 2.801 -6.725 1.674 1.00 0.00 C ATOM 0 H LEU A 59 2.721 -7.565 6.466 1.00 0.00 H new ATOM 0 HA LEU A 59 4.944 -6.346 5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.270 -8.013 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.160 -6.672 4.103 1.00 0.00 H new ATOM 0 HG LEU A 59 4.222 -5.601 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.443 -7.320 1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.767 -7.436 3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.657 -8.589 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.263 -6.499 0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.393 -7.736 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.998 -6.014 1.866 1.00 0.00 H new ATOM 910 N MET A 60 2.266 -4.402 5.436 1.00 0.00 N ATOM 911 CA MET A 60 1.828 -3.011 5.409 1.00 0.00 C ATOM 912 C MET A 60 2.515 -2.201 6.503 1.00 0.00 C ATOM 913 O MET A 60 2.764 -1.007 6.342 1.00 0.00 O ATOM 914 CB MET A 60 0.309 -2.929 5.575 1.00 0.00 C ATOM 915 CG MET A 60 -0.462 -3.621 4.463 1.00 0.00 C ATOM 916 SD MET A 60 -0.326 -2.762 2.885 1.00 0.00 S ATOM 917 CE MET A 60 -1.127 -3.933 1.792 1.00 0.00 C ATOM 0 H MET A 60 1.517 -5.077 5.586 1.00 0.00 H new ATOM 0 HA MET A 60 2.105 -2.589 4.443 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.032 -3.375 6.530 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.012 -1.881 5.614 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.093 -4.640 4.350 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.513 -3.692 4.744 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.218 -3.498 0.797 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.532 -4.845 1.737 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.119 -4.170 2.176 1.00 0.00 H new ATOM 927 N ASP A 61 2.819 -2.860 7.617 1.00 0.00 N ATOM 928 CA ASP A 61 3.478 -2.201 8.738 1.00 0.00 C ATOM 929 C ASP A 61 4.932 -1.884 8.405 1.00 0.00 C ATOM 930 O ASP A 61 5.487 -0.892 8.879 1.00 0.00 O ATOM 931 CB ASP A 61 3.408 -3.082 9.987 1.00 0.00 C ATOM 932 CG ASP A 61 2.278 -2.680 10.915 1.00 0.00 C ATOM 933 OD1 ASP A 61 2.507 -1.820 11.791 1.00 0.00 O ATOM 934 OD2 ASP A 61 1.165 -3.227 10.767 1.00 0.00 O ATOM 0 H ASP A 61 2.619 -3.849 7.767 1.00 0.00 H new ATOM 0 HA ASP A 61 2.957 -1.264 8.933 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.276 -4.122 9.688 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.355 -3.022 10.524 1.00 0.00 H new ATOM 939 N ASN A 62 5.544 -2.733 7.586 1.00 0.00 N ATOM 940 CA ASN A 62 6.935 -2.545 7.189 1.00 0.00 C ATOM 941 C ASN A 62 7.036 -1.602 5.994 1.00 0.00 C ATOM 942 O ASN A 62 7.945 -0.774 5.920 1.00 0.00 O ATOM 943 CB ASN A 62 7.576 -3.891 6.847 1.00 0.00 C ATOM 944 CG ASN A 62 8.098 -4.610 8.075 1.00 0.00 C ATOM 945 OD1 ASN A 62 9.307 -4.723 8.276 1.00 0.00 O ATOM 946 ND2 ASN A 62 7.187 -5.103 8.905 1.00 0.00 N ATOM 0 H ASN A 62 5.099 -3.558 7.184 1.00 0.00 H new ATOM 0 HA ASN A 62 7.470 -2.099 8.028 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.843 -4.522 6.344 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.396 -3.733 6.146 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.479 -5.598 9.748 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.195 -4.987 8.700 1.00 0.00 H new ATOM 953 N TYR A 63 6.099 -1.734 5.062 1.00 0.00 N ATOM 954 CA TYR A 63 6.083 -0.893 3.869 1.00 0.00 C ATOM 955 C TYR A 63 5.820 0.564 4.235 1.00 0.00 C ATOM 956 O TYR A 63 6.382 1.477 3.631 1.00 0.00 O ATOM 957 CB TYR A 63 5.019 -1.385 2.887 1.00 0.00 C ATOM 958 CG TYR A 63 5.167 -0.813 1.496 1.00 0.00 C ATOM 959 CD1 TYR A 63 6.375 -0.893 0.816 1.00 0.00 C ATOM 960 CD2 TYR A 63 4.098 -0.191 0.861 1.00 0.00 C ATOM 961 CE1 TYR A 63 6.516 -0.371 -0.456 1.00 0.00 C ATOM 962 CE2 TYR A 63 4.230 0.332 -0.410 1.00 0.00 C ATOM 963 CZ TYR A 63 5.440 0.241 -1.064 1.00 0.00 C ATOM 964 OH TYR A 63 5.576 0.762 -2.331 1.00 0.00 O ATOM 0 H TYR A 63 5.341 -2.415 5.109 1.00 0.00 H new ATOM 0 HA TYR A 63 7.062 -0.959 3.395 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.065 -2.473 2.830 1.00 0.00 H new ATOM 0 HB3 TYR A 63 4.033 -1.127 3.274 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.219 -1.372 1.289 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.149 -0.116 1.370 1.00 0.00 H new ATOM 0 HE1 TYR A 63 7.463 -0.442 -0.971 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.389 0.810 -0.890 1.00 0.00 H new ATOM 0 HH TYR A 63 6.245 0.245 -2.827 1.00 0.00 H new ATOM 974 N GLU A 64 4.962 0.775 5.228 1.00 0.00 N ATOM 975 CA GLU A 64 4.623 2.122 5.674 1.00 0.00 C ATOM 976 C GLU A 64 5.847 2.827 6.252 1.00 0.00 C ATOM 977 O GLU A 64 5.978 4.047 6.151 1.00 0.00 O ATOM 978 CB GLU A 64 3.509 2.070 6.720 1.00 0.00 C ATOM 979 CG GLU A 64 2.865 3.420 6.991 1.00 0.00 C ATOM 980 CD GLU A 64 1.452 3.295 7.527 1.00 0.00 C ATOM 981 OE1 GLU A 64 0.579 2.793 6.789 1.00 0.00 O ATOM 982 OE2 GLU A 64 1.219 3.700 8.686 1.00 0.00 O ATOM 0 H GLU A 64 4.489 0.030 5.739 1.00 0.00 H new ATOM 0 HA GLU A 64 4.274 2.687 4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.742 1.371 6.387 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.915 1.677 7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.474 3.972 7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.850 4.003 6.070 1.00 0.00 H new ATOM 989 N VAL A 65 6.740 2.051 6.856 1.00 0.00 N ATOM 990 CA VAL A 65 7.953 2.600 7.450 1.00 0.00 C ATOM 991 C VAL A 65 8.964 2.988 6.376 1.00 0.00 C ATOM 992 O VAL A 65 9.481 4.105 6.369 1.00 0.00 O ATOM 993 CB VAL A 65 8.609 1.599 8.420 1.00 0.00 C ATOM 994 CG1 VAL A 65 9.778 2.246 9.147 1.00 0.00 C ATOM 995 CG2 VAL A 65 7.585 1.066 9.413 1.00 0.00 C ATOM 0 H VAL A 65 6.647 1.039 6.947 1.00 0.00 H new ATOM 0 HA VAL A 65 7.657 3.490 8.006 1.00 0.00 H new ATOM 0 HB VAL A 65 8.991 0.759 7.840 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.228 1.523 9.827 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.522 2.573 8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.422 3.106 9.715 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.067 0.361 10.090 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.170 1.894 9.988 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.784 0.561 8.874 1.00 0.00 H new ATOM 1005 N SER A 66 9.242 2.057 5.469 1.00 0.00 N ATOM 1006 CA SER A 66 10.191 2.301 4.389 1.00 0.00 C ATOM 1007 C SER A 66 9.733 3.462 3.514 1.00 0.00 C ATOM 1008 O SER A 66 10.544 4.268 3.060 1.00 0.00 O ATOM 1009 CB SER A 66 10.362 1.041 3.539 1.00 0.00 C ATOM 1010 OG SER A 66 11.708 0.887 3.119 1.00 0.00 O ATOM 0 H SER A 66 8.824 1.127 5.461 1.00 0.00 H new ATOM 0 HA SER A 66 11.151 2.563 4.834 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.055 0.167 4.113 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.710 1.095 2.667 1.00 0.00 H new ATOM 0 HG SER A 66 11.791 0.074 2.579 1.00 0.00 H new ATOM 1016 N GLY A 67 8.427 3.542 3.281 1.00 0.00 N ATOM 1017 CA GLY A 67 7.884 4.609 2.460 1.00 0.00 C ATOM 1018 C GLY A 67 6.718 4.149 1.607 1.00 0.00 C ATOM 1019 O GLY A 67 6.769 4.230 0.380 1.00 0.00 O ATOM 0 H GLY A 67 7.735 2.887 3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.560 5.428 3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.669 5.002 1.815 1.00 0.00 H new ATOM 1023 N GLY A 68 5.665 3.666 2.258 1.00 0.00 N ATOM 1024 CA GLY A 68 4.497 3.201 1.534 1.00 0.00 C ATOM 1025 C GLY A 68 3.837 4.302 0.727 1.00 0.00 C ATOM 1026 O GLY A 68 3.543 5.375 1.253 1.00 0.00 O ATOM 0 H GLY A 68 5.600 3.588 3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.787 2.390 0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.775 2.790 2.240 1.00 0.00 H new ATOM 1030 N THR A 69 3.606 4.036 -0.554 1.00 0.00 N ATOM 1031 CA THR A 69 2.978 5.013 -1.437 1.00 0.00 C ATOM 1032 C THR A 69 1.655 4.483 -1.981 1.00 0.00 C ATOM 1033 O THR A 69 1.563 3.330 -2.401 1.00 0.00 O ATOM 1034 CB THR A 69 3.914 5.364 -2.593 1.00 0.00 C ATOM 1035 OG1 THR A 69 5.263 5.106 -2.244 1.00 0.00 O ATOM 1036 CG2 THR A 69 3.821 6.812 -3.021 1.00 0.00 C ATOM 0 H THR A 69 3.844 3.152 -1.004 1.00 0.00 H new ATOM 0 HA THR A 69 2.777 5.913 -0.856 1.00 0.00 H new ATOM 0 HB THR A 69 3.593 4.735 -3.423 1.00 0.00 H new ATOM 0 HG1 THR A 69 5.760 4.829 -3.042 1.00 0.00 H new ATOM 0 HG21 THR A 69 4.511 6.993 -3.845 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.804 7.031 -3.345 1.00 0.00 H new ATOM 0 HG23 THR A 69 4.081 7.457 -2.182 1.00 0.00 H new ATOM 1044 N VAL A 70 0.635 5.334 -1.971 1.00 0.00 N ATOM 1045 CA VAL A 70 -0.683 4.952 -2.464 1.00 0.00 C ATOM 1046 C VAL A 70 -0.623 4.532 -3.929 1.00 0.00 C ATOM 1047 O VAL A 70 -1.212 3.524 -4.319 1.00 0.00 O ATOM 1048 CB VAL A 70 -1.695 6.105 -2.314 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -3.101 5.626 -2.637 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -1.631 6.693 -0.914 1.00 0.00 C ATOM 0 H VAL A 70 0.695 6.292 -1.627 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.013 4.107 -1.860 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.432 6.890 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.802 6.453 -2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.134 5.258 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.377 4.822 -1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.352 7.505 -0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.866 5.919 -0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.628 7.077 -0.726 1.00 0.00 H new ATOM 1060 N ARG A 71 0.092 5.311 -4.734 1.00 0.00 N ATOM 1061 CA ARG A 71 0.228 5.018 -6.156 1.00 0.00 C ATOM 1062 C ARG A 71 0.879 3.656 -6.372 1.00 0.00 C ATOM 1063 O ARG A 71 0.568 2.954 -7.334 1.00 0.00 O ATOM 1064 CB ARG A 71 1.054 6.106 -6.846 1.00 0.00 C ATOM 1065 CG ARG A 71 0.298 7.410 -7.046 1.00 0.00 C ATOM 1066 CD ARG A 71 0.670 8.074 -8.361 1.00 0.00 C ATOM 1067 NE ARG A 71 -0.127 7.568 -9.475 1.00 0.00 N ATOM 1068 CZ ARG A 71 -1.430 7.798 -9.619 1.00 0.00 C ATOM 1069 NH1 ARG A 71 -2.086 8.522 -8.721 1.00 0.00 N ATOM 1070 NH2 ARG A 71 -2.080 7.302 -10.663 1.00 0.00 N ATOM 0 H ARG A 71 0.586 6.149 -4.426 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.770 4.997 -6.593 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.948 6.301 -6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.388 5.737 -7.816 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.775 7.217 -7.026 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.515 8.088 -6.221 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.530 9.152 -8.275 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.727 7.905 -8.566 1.00 0.00 H new ATOM 0 HE ARG A 71 0.342 7.005 -10.184 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.592 8.905 -7.915 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -3.085 8.695 -8.836 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.581 6.744 -11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.079 7.479 -10.773 1.00 0.00 H new ATOM 1084 N GLU A 72 1.781 3.288 -5.469 1.00 0.00 N ATOM 1085 CA GLU A 72 2.475 2.008 -5.560 1.00 0.00 C ATOM 1086 C GLU A 72 1.546 0.861 -5.178 1.00 0.00 C ATOM 1087 O GLU A 72 1.579 -0.208 -5.789 1.00 0.00 O ATOM 1088 CB GLU A 72 3.709 2.008 -4.655 1.00 0.00 C ATOM 1089 CG GLU A 72 5.003 2.315 -5.390 1.00 0.00 C ATOM 1090 CD GLU A 72 5.139 3.783 -5.742 1.00 0.00 C ATOM 1091 OE1 GLU A 72 5.610 4.558 -4.883 1.00 0.00 O ATOM 1092 OE2 GLU A 72 4.776 4.158 -6.877 1.00 0.00 O ATOM 0 H GLU A 72 2.049 3.857 -4.666 1.00 0.00 H new ATOM 0 HA GLU A 72 2.793 1.865 -6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.568 2.743 -3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.796 1.034 -4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.848 2.014 -4.771 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.048 1.721 -6.303 1.00 0.00 H new ATOM 1099 N LEU A 73 0.717 1.090 -4.165 1.00 0.00 N ATOM 1100 CA LEU A 73 -0.223 0.075 -3.701 1.00 0.00 C ATOM 1101 C LEU A 73 -1.299 -0.187 -4.750 1.00 0.00 C ATOM 1102 O LEU A 73 -1.745 -1.322 -4.923 1.00 0.00 O ATOM 1103 CB LEU A 73 -0.870 0.514 -2.386 1.00 0.00 C ATOM 1104 CG LEU A 73 -1.888 -0.469 -1.806 1.00 0.00 C ATOM 1105 CD1 LEU A 73 -1.204 -1.762 -1.390 1.00 0.00 C ATOM 1106 CD2 LEU A 73 -2.617 0.154 -0.626 1.00 0.00 C ATOM 0 H LEU A 73 0.677 1.969 -3.649 1.00 0.00 H new ATOM 0 HA LEU A 73 0.329 -0.850 -3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.084 0.677 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.363 1.473 -2.544 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.621 -0.702 -2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.944 -2.449 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.728 -2.217 -2.258 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.449 -1.547 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.337 -0.559 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.897 0.416 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.140 1.052 -0.954 1.00 0.00 H new ATOM 1118 N VAL A 74 -1.711 0.867 -5.444 1.00 0.00 N ATOM 1119 CA VAL A 74 -2.735 0.751 -6.476 1.00 0.00 C ATOM 1120 C VAL A 74 -2.189 0.043 -7.712 1.00 0.00 C ATOM 1121 O VAL A 74 -2.874 -0.776 -8.324 1.00 0.00 O ATOM 1122 CB VAL A 74 -3.280 2.133 -6.887 1.00 0.00 C ATOM 1123 CG1 VAL A 74 -4.445 1.984 -7.854 1.00 0.00 C ATOM 1124 CG2 VAL A 74 -3.694 2.930 -5.658 1.00 0.00 C ATOM 0 H VAL A 74 -1.352 1.812 -5.311 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.548 0.162 -6.051 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.486 2.680 -7.396 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.816 2.971 -8.132 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.111 1.457 -8.748 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.244 1.418 -7.376 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.076 3.903 -5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.472 2.389 -5.119 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.831 3.069 -5.007 1.00 0.00 H new ATOM 1134 N GLU A 75 -0.951 0.364 -8.074 1.00 0.00 N ATOM 1135 CA GLU A 75 -0.313 -0.242 -9.237 1.00 0.00 C ATOM 1136 C GLU A 75 0.057 -1.695 -8.959 1.00 0.00 C ATOM 1137 O GLU A 75 -0.119 -2.565 -9.811 1.00 0.00 O ATOM 1138 CB GLU A 75 0.936 0.551 -9.631 1.00 0.00 C ATOM 1139 CG GLU A 75 0.712 1.500 -10.798 1.00 0.00 C ATOM 1140 CD GLU A 75 1.507 1.112 -12.029 1.00 0.00 C ATOM 1141 OE1 GLU A 75 1.844 -0.083 -12.165 1.00 0.00 O ATOM 1142 OE2 GLU A 75 1.794 2.002 -12.855 1.00 0.00 O ATOM 0 H GLU A 75 -0.370 1.040 -7.579 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.023 -0.220 -10.063 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.280 1.123 -8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.733 -0.147 -9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.349 1.519 -11.047 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.987 2.511 -10.497 1.00 0.00 H new ATOM 1149 N ALA A 76 0.571 -1.951 -7.760 1.00 0.00 N ATOM 1150 CA ALA A 76 0.965 -3.299 -7.369 1.00 0.00 C ATOM 1151 C ALA A 76 -0.221 -4.255 -7.424 1.00 0.00 C ATOM 1152 O ALA A 76 -0.090 -5.398 -7.862 1.00 0.00 O ATOM 1153 CB ALA A 76 1.571 -3.287 -5.974 1.00 0.00 C ATOM 0 H ALA A 76 0.724 -1.242 -7.043 1.00 0.00 H new ATOM 0 HA ALA A 76 1.715 -3.652 -8.077 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.861 -4.300 -5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.450 -2.642 -5.965 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.837 -2.910 -5.262 1.00 0.00 H new ATOM 1159 N LEU A 77 -1.378 -3.779 -6.977 1.00 0.00 N ATOM 1160 CA LEU A 77 -2.589 -4.592 -6.976 1.00 0.00 C ATOM 1161 C LEU A 77 -3.020 -4.930 -8.399 1.00 0.00 C ATOM 1162 O LEU A 77 -3.619 -5.978 -8.645 1.00 0.00 O ATOM 1163 CB LEU A 77 -3.719 -3.860 -6.249 1.00 0.00 C ATOM 1164 CG LEU A 77 -3.564 -3.772 -4.730 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -4.582 -2.808 -4.143 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -3.707 -5.150 -4.101 1.00 0.00 C ATOM 0 H LEU A 77 -1.503 -2.835 -6.611 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.371 -5.522 -6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.793 -2.849 -6.650 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.660 -4.362 -6.474 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.567 -3.393 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.455 -2.759 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.433 -1.817 -4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.589 -3.156 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.594 -5.070 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.691 -5.556 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.938 -5.813 -4.498 1.00 0.00 H new ATOM 1178 N ARG A 78 -2.713 -4.036 -9.334 1.00 0.00 N ATOM 1179 CA ARG A 78 -3.070 -4.241 -10.733 1.00 0.00 C ATOM 1180 C ARG A 78 -2.133 -5.249 -11.392 1.00 0.00 C ATOM 1181 O ARG A 78 -2.560 -6.071 -12.204 1.00 0.00 O ATOM 1182 CB ARG A 78 -3.026 -2.911 -11.491 1.00 0.00 C ATOM 1183 CG ARG A 78 -4.332 -2.568 -12.190 1.00 0.00 C ATOM 1184 CD ARG A 78 -4.242 -1.237 -12.920 1.00 0.00 C ATOM 1185 NE ARG A 78 -4.103 -1.411 -14.363 1.00 0.00 N ATOM 1186 CZ ARG A 78 -3.656 -0.464 -15.185 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -3.308 0.725 -14.710 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -3.561 -0.706 -16.486 1.00 0.00 N ATOM 0 H ARG A 78 -2.218 -3.164 -9.148 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.084 -4.639 -10.770 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.776 -2.112 -10.793 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.226 -2.950 -12.231 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.584 -3.356 -12.899 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.138 -2.528 -11.457 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.135 -0.648 -12.711 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.391 -0.672 -12.540 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.364 -2.311 -14.765 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.382 0.917 -13.711 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.966 1.447 -15.344 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.830 -1.617 -16.856 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.219 0.019 -17.116 1.00 0.00 H new ATOM 1202 N GLN A 79 -0.854 -5.183 -11.036 1.00 0.00 N ATOM 1203 CA GLN A 79 0.142 -6.091 -11.591 1.00 0.00 C ATOM 1204 C GLN A 79 -0.151 -7.532 -11.187 1.00 0.00 C ATOM 1205 O GLN A 79 0.075 -8.462 -11.961 1.00 0.00 O ATOM 1206 CB GLN A 79 1.543 -5.693 -11.125 1.00 0.00 C ATOM 1207 CG GLN A 79 2.024 -4.373 -11.705 1.00 0.00 C ATOM 1208 CD GLN A 79 3.518 -4.173 -11.538 1.00 0.00 C ATOM 1209 OE1 GLN A 79 4.301 -5.113 -11.670 1.00 0.00 O ATOM 1210 NE2 GLN A 79 3.920 -2.942 -11.244 1.00 0.00 N ATOM 0 H GLN A 79 -0.483 -4.510 -10.365 1.00 0.00 H new ATOM 0 HA GLN A 79 0.095 -6.020 -12.678 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.550 -5.626 -10.037 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.246 -6.479 -11.401 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.772 -4.333 -12.765 1.00 0.00 H new ATOM 0 HG3 GLN A 79 1.495 -3.553 -11.220 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.236 -2.192 -11.144 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.913 -2.746 -11.118 1.00 0.00 H new ATOM 1219 N MET A 80 -0.656 -7.710 -9.971 1.00 0.00 N ATOM 1220 CA MET A 80 -0.981 -9.037 -9.465 1.00 0.00 C ATOM 1221 C MET A 80 -2.313 -9.522 -10.028 1.00 0.00 C ATOM 1222 O MET A 80 -2.432 -10.663 -10.473 1.00 0.00 O ATOM 1223 CB MET A 80 -1.037 -9.024 -7.935 1.00 0.00 C ATOM 1224 CG MET A 80 0.318 -9.221 -7.276 1.00 0.00 C ATOM 1225 SD MET A 80 0.251 -9.041 -5.483 1.00 0.00 S ATOM 1226 CE MET A 80 -1.007 -10.248 -5.068 1.00 0.00 C ATOM 0 H MET A 80 -0.849 -6.951 -9.318 1.00 0.00 H new ATOM 0 HA MET A 80 -0.198 -9.723 -9.788 1.00 0.00 H new ATOM 0 HB2 MET A 80 -1.459 -8.075 -7.603 1.00 0.00 H new ATOM 0 HB3 MET A 80 -1.714 -9.809 -7.598 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.698 -10.212 -7.524 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.025 -8.498 -7.684 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.038 -10.384 -3.987 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.978 -9.897 -5.417 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.771 -11.198 -5.547 1.00 0.00 H new ATOM 1236 N GLY A 81 -3.312 -8.646 -10.007 1.00 0.00 N ATOM 1237 CA GLY A 81 -4.623 -9.001 -10.519 1.00 0.00 C ATOM 1238 C GLY A 81 -5.723 -8.789 -9.498 1.00 0.00 C ATOM 1239 O GLY A 81 -6.651 -9.592 -9.399 1.00 0.00 O ATOM 0 H GLY A 81 -3.237 -7.696 -9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.836 -8.405 -11.407 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.617 -10.046 -10.830 1.00 0.00 H new ATOM 1243 N TYR A 82 -5.620 -7.705 -8.737 1.00 0.00 N ATOM 1244 CA TYR A 82 -6.614 -7.388 -7.719 1.00 0.00 C ATOM 1245 C TYR A 82 -7.622 -6.369 -8.241 1.00 0.00 C ATOM 1246 O TYR A 82 -7.245 -5.347 -8.814 1.00 0.00 O ATOM 1247 CB TYR A 82 -5.931 -6.850 -6.460 1.00 0.00 C ATOM 1248 CG TYR A 82 -5.686 -7.903 -5.405 1.00 0.00 C ATOM 1249 CD1 TYR A 82 -6.746 -8.500 -4.733 1.00 0.00 C ATOM 1250 CD2 TYR A 82 -4.395 -8.303 -5.079 1.00 0.00 C ATOM 1251 CE1 TYR A 82 -6.527 -9.464 -3.766 1.00 0.00 C ATOM 1252 CE2 TYR A 82 -4.168 -9.266 -4.115 1.00 0.00 C ATOM 1253 CZ TYR A 82 -5.236 -9.844 -3.462 1.00 0.00 C ATOM 1254 OH TYR A 82 -5.013 -10.803 -2.501 1.00 0.00 O ATOM 0 H TYR A 82 -4.858 -7.031 -8.806 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.148 -8.305 -7.470 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -4.979 -6.399 -6.739 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -6.546 -6.058 -6.034 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.758 -8.206 -4.970 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.555 -7.853 -5.588 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.362 -9.917 -3.252 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.159 -9.565 -3.874 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.854 -11.263 -2.297 1.00 0.00 H new ATOM 1264 N THR A 83 -8.904 -6.656 -8.041 1.00 0.00 N ATOM 1265 CA THR A 83 -9.966 -5.764 -8.493 1.00 0.00 C ATOM 1266 C THR A 83 -10.725 -5.176 -7.308 1.00 0.00 C ATOM 1267 O THR A 83 -11.076 -3.996 -7.307 1.00 0.00 O ATOM 1268 CB THR A 83 -10.933 -6.514 -9.411 1.00 0.00 C ATOM 1269 OG1 THR A 83 -10.261 -7.544 -10.112 1.00 0.00 O ATOM 1270 CG2 THR A 83 -11.601 -5.621 -10.433 1.00 0.00 C ATOM 0 H THR A 83 -9.233 -7.499 -7.569 1.00 0.00 H new ATOM 0 HA THR A 83 -9.507 -4.946 -9.049 1.00 0.00 H new ATOM 0 HB THR A 83 -11.700 -6.921 -8.753 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.896 -8.013 -10.692 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.273 -6.215 -11.051 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.170 -4.845 -9.921 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.842 -5.159 -11.064 1.00 0.00 H new ATOM 1278 N GLU A 84 -10.976 -6.007 -6.301 1.00 0.00 N ATOM 1279 CA GLU A 84 -11.694 -5.568 -5.110 1.00 0.00 C ATOM 1280 C GLU A 84 -10.774 -4.788 -4.177 1.00 0.00 C ATOM 1281 O GLU A 84 -11.215 -3.884 -3.466 1.00 0.00 O ATOM 1282 CB GLU A 84 -12.288 -6.774 -4.377 1.00 0.00 C ATOM 1283 CG GLU A 84 -13.800 -6.710 -4.226 1.00 0.00 C ATOM 1284 CD GLU A 84 -14.519 -6.752 -5.560 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -13.923 -7.242 -6.541 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -15.680 -6.295 -5.623 1.00 0.00 O ATOM 0 H GLU A 84 -10.693 -6.987 -6.286 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.503 -4.908 -5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.023 -7.683 -4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.835 -6.847 -3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.136 -7.544 -3.609 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.071 -5.795 -3.700 1.00 0.00 H new ATOM 1293 N ALA A 85 -9.493 -5.142 -4.183 1.00 0.00 N ATOM 1294 CA ALA A 85 -8.511 -4.475 -3.337 1.00 0.00 C ATOM 1295 C ALA A 85 -8.309 -3.026 -3.767 1.00 0.00 C ATOM 1296 O ALA A 85 -8.076 -2.148 -2.936 1.00 0.00 O ATOM 1297 CB ALA A 85 -7.188 -5.227 -3.372 1.00 0.00 C ATOM 0 H ALA A 85 -9.111 -5.888 -4.765 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.890 -4.473 -2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.463 -4.718 -2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.338 -6.244 -3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.814 -5.258 -4.395 1.00 0.00 H new ATOM 1303 N ILE A 86 -8.400 -2.783 -5.070 1.00 0.00 N ATOM 1304 CA ILE A 86 -8.228 -1.439 -5.611 1.00 0.00 C ATOM 1305 C ILE A 86 -9.428 -0.557 -5.283 1.00 0.00 C ATOM 1306 O ILE A 86 -9.276 0.626 -4.980 1.00 0.00 O ATOM 1307 CB ILE A 86 -8.028 -1.469 -7.138 1.00 0.00 C ATOM 1308 CG1 ILE A 86 -6.941 -2.479 -7.512 1.00 0.00 C ATOM 1309 CG2 ILE A 86 -7.672 -0.083 -7.655 1.00 0.00 C ATOM 1310 CD1 ILE A 86 -6.724 -2.609 -9.004 1.00 0.00 C ATOM 0 H ILE A 86 -8.592 -3.499 -5.771 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.336 -1.022 -5.144 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.963 -1.779 -7.605 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.004 -2.183 -7.041 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.207 -3.455 -7.105 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.534 -0.122 -8.736 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.477 0.612 -7.417 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.749 0.255 -7.184 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.940 -3.342 -9.195 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.649 -2.935 -9.479 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.427 -1.644 -9.414 1.00 0.00 H new ATOM 1322 N GLU A 87 -10.620 -1.140 -5.346 1.00 0.00 N ATOM 1323 CA GLU A 87 -11.847 -0.406 -5.054 1.00 0.00 C ATOM 1324 C GLU A 87 -11.842 0.118 -3.622 1.00 0.00 C ATOM 1325 O GLU A 87 -12.419 1.165 -3.332 1.00 0.00 O ATOM 1326 CB GLU A 87 -13.067 -1.301 -5.279 1.00 0.00 C ATOM 1327 CG GLU A 87 -13.079 -1.986 -6.636 1.00 0.00 C ATOM 1328 CD GLU A 87 -14.374 -1.762 -7.393 1.00 0.00 C ATOM 1329 OE1 GLU A 87 -15.349 -2.496 -7.128 1.00 0.00 O ATOM 1330 OE2 GLU A 87 -14.413 -0.854 -8.249 1.00 0.00 O ATOM 0 H GLU A 87 -10.763 -2.118 -5.597 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.900 0.446 -5.732 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -13.099 -2.061 -4.498 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.971 -0.701 -5.177 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.245 -1.616 -7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.923 -3.056 -6.500 1.00 0.00 H new ATOM 1337 N VAL A 88 -11.186 -0.618 -2.731 1.00 0.00 N ATOM 1338 CA VAL A 88 -11.107 -0.228 -1.328 1.00 0.00 C ATOM 1339 C VAL A 88 -10.348 1.085 -1.164 1.00 0.00 C ATOM 1340 O VAL A 88 -10.848 2.029 -0.553 1.00 0.00 O ATOM 1341 CB VAL A 88 -10.418 -1.315 -0.481 1.00 0.00 C ATOM 1342 CG1 VAL A 88 -10.480 -0.964 1.000 1.00 0.00 C ATOM 1343 CG2 VAL A 88 -11.046 -2.677 -0.742 1.00 0.00 C ATOM 0 H VAL A 88 -10.702 -1.487 -2.955 1.00 0.00 H new ATOM 0 HA VAL A 88 -12.131 -0.099 -0.978 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.369 -1.363 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.988 -1.745 1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.975 -0.013 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.521 -0.883 1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.545 -3.431 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.104 -2.646 -0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.939 -2.931 -1.797 1.00 0.00 H new ATOM 1353 N ILE A 89 -9.140 1.139 -1.715 1.00 0.00 N ATOM 1354 CA ILE A 89 -8.313 2.336 -1.629 1.00 0.00 C ATOM 1355 C ILE A 89 -8.978 3.514 -2.333 1.00 0.00 C ATOM 1356 O ILE A 89 -9.102 4.600 -1.765 1.00 0.00 O ATOM 1357 CB ILE A 89 -6.919 2.104 -2.246 1.00 0.00 C ATOM 1358 CG1 ILE A 89 -6.287 0.832 -1.676 1.00 0.00 C ATOM 1359 CG2 ILE A 89 -6.021 3.306 -1.994 1.00 0.00 C ATOM 1360 CD1 ILE A 89 -5.597 -0.019 -2.719 1.00 0.00 C ATOM 0 H ILE A 89 -8.712 0.367 -2.226 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.199 2.565 -0.570 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.033 1.978 -3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.565 1.108 -0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.060 0.239 -1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.041 3.127 -2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.465 4.193 -2.445 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.913 3.460 -0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.172 -0.903 -2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.320 -0.325 -3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.801 0.557 -3.190 1.00 0.00 H new ATOM 1372 N GLN A 90 -9.405 3.294 -3.572 1.00 0.00 N ATOM 1373 CA GLN A 90 -10.057 4.338 -4.353 1.00 0.00 C ATOM 1374 C GLN A 90 -11.322 4.830 -3.657 1.00 0.00 C ATOM 1375 O GLN A 90 -11.707 5.992 -3.796 1.00 0.00 O ATOM 1376 CB GLN A 90 -10.400 3.820 -5.751 1.00 0.00 C ATOM 1377 CG GLN A 90 -9.276 4.003 -6.759 1.00 0.00 C ATOM 1378 CD GLN A 90 -9.467 3.157 -8.003 1.00 0.00 C ATOM 1379 OE1 GLN A 90 -10.339 2.287 -8.050 1.00 0.00 O ATOM 1380 NE2 GLN A 90 -8.651 3.406 -9.020 1.00 0.00 N ATOM 0 H GLN A 90 -9.311 2.402 -4.057 1.00 0.00 H new ATOM 0 HA GLN A 90 -9.364 5.175 -4.442 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -10.650 2.761 -5.686 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -11.289 4.336 -6.113 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -9.215 5.053 -7.044 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.326 3.745 -6.290 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.943 4.136 -8.939 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.732 2.868 -9.883 1.00 0.00 H new ATOM 1389 N ALA A 91 -11.964 3.940 -2.907 1.00 0.00 N ATOM 1390 CA ALA A 91 -13.186 4.285 -2.190 1.00 0.00 C ATOM 1391 C ALA A 91 -12.939 5.415 -1.196 1.00 0.00 C ATOM 1392 O ALA A 91 -13.799 6.270 -0.986 1.00 0.00 O ATOM 1393 CB ALA A 91 -13.741 3.062 -1.477 1.00 0.00 C ATOM 0 H ALA A 91 -11.658 2.975 -2.780 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.920 4.632 -2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -14.653 3.333 -0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -13.964 2.285 -2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -13.004 2.690 -0.766 1.00 0.00 H new ATOM 1399 N ALA A 92 -11.758 5.413 -0.585 1.00 0.00 N ATOM 1400 CA ALA A 92 -11.399 6.437 0.388 1.00 0.00 C ATOM 1401 C ALA A 92 -10.580 7.548 -0.259 1.00 0.00 C ATOM 1402 O ALA A 92 -10.828 8.731 -0.027 1.00 0.00 O ATOM 1403 CB ALA A 92 -10.631 5.817 1.546 1.00 0.00 C ATOM 0 H ALA A 92 -11.034 4.713 -0.747 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.319 6.878 0.771 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.369 6.593 2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.252 5.065 2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.721 5.349 1.170 1.00 0.00 H new ATOM 1409 N SER A 93 -9.602 7.161 -1.071 1.00 0.00 N ATOM 1410 CA SER A 93 -8.746 8.126 -1.752 1.00 0.00 C ATOM 1411 C SER A 93 -9.568 9.056 -2.638 1.00 0.00 C ATOM 1412 O SER A 93 -10.246 8.609 -3.564 1.00 0.00 O ATOM 1413 CB SER A 93 -7.692 7.400 -2.592 1.00 0.00 C ATOM 1414 OG SER A 93 -8.225 6.997 -3.842 1.00 0.00 O ATOM 0 H SER A 93 -9.382 6.186 -1.274 1.00 0.00 H new ATOM 0 HA SER A 93 -8.246 8.728 -0.993 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.836 8.055 -2.752 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.328 6.527 -2.050 1.00 0.00 H new ATOM 0 HG SER A 93 -9.192 7.159 -3.853 1.00 0.00 H new ATOM 1420 N SER A 94 -9.502 10.352 -2.349 1.00 0.00 N ATOM 1421 CA SER A 94 -10.239 11.345 -3.120 1.00 0.00 C ATOM 1422 C SER A 94 -9.495 11.700 -4.404 1.00 0.00 C ATOM 1423 O SER A 94 -8.276 11.547 -4.489 1.00 0.00 O ATOM 1424 CB SER A 94 -10.467 12.606 -2.284 1.00 0.00 C ATOM 1425 OG SER A 94 -11.381 13.482 -2.919 1.00 0.00 O ATOM 0 H SER A 94 -8.945 10.738 -1.586 1.00 0.00 H new ATOM 0 HA SER A 94 -11.205 10.916 -3.388 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.847 12.330 -1.300 1.00 0.00 H new ATOM 0 HB3 SER A 94 -9.518 13.118 -2.127 1.00 0.00 H new ATOM 0 HG SER A 94 -11.510 14.279 -2.363 1.00 0.00 H new ATOM 1431 N SER A 95 -10.236 12.172 -5.400 1.00 0.00 N ATOM 1432 CA SER A 95 -9.646 12.549 -6.679 1.00 0.00 C ATOM 1433 C SER A 95 -8.802 13.811 -6.541 1.00 0.00 C ATOM 1434 O SER A 95 -9.156 14.728 -5.801 1.00 0.00 O ATOM 1435 CB SER A 95 -10.740 12.766 -7.726 1.00 0.00 C ATOM 1436 OG SER A 95 -11.326 14.050 -7.594 1.00 0.00 O ATOM 0 H SER A 95 -11.246 12.303 -5.347 1.00 0.00 H new ATOM 0 HA SER A 95 -8.998 11.735 -7.003 1.00 0.00 H new ATOM 0 HB2 SER A 95 -10.318 12.656 -8.725 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.508 12.000 -7.618 1.00 0.00 H new ATOM 0 HG SER A 95 -12.021 14.164 -8.276 1.00 0.00 H new ATOM 1442 N GLY A 96 -7.683 13.850 -7.258 1.00 0.00 N ATOM 1443 CA GLY A 96 -6.806 15.005 -7.202 1.00 0.00 C ATOM 1444 C GLY A 96 -6.059 15.230 -8.503 1.00 0.00 C ATOM 1445 O GLY A 96 -6.567 15.900 -9.403 1.00 0.00 O ATOM 0 H GLY A 96 -7.368 13.102 -7.877 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.393 15.892 -6.966 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -6.088 14.873 -6.392 1.00 0.00 H new ATOM 1449 N PRO A 97 -4.840 14.679 -8.635 1.00 0.00 N ATOM 1450 CA PRO A 97 -4.032 14.832 -9.850 1.00 0.00 C ATOM 1451 C PRO A 97 -4.588 14.028 -11.020 1.00 0.00 C ATOM 1452 O PRO A 97 -4.395 12.815 -11.101 1.00 0.00 O ATOM 1453 CB PRO A 97 -2.663 14.292 -9.433 1.00 0.00 C ATOM 1454 CG PRO A 97 -2.957 13.320 -8.343 1.00 0.00 C ATOM 1455 CD PRO A 97 -4.155 13.863 -7.614 1.00 0.00 C ATOM 0 HA PRO A 97 -4.011 15.864 -10.199 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -2.156 13.809 -10.269 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -2.011 15.093 -9.085 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.163 12.330 -8.749 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.105 13.218 -7.671 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -4.796 13.063 -7.244 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.862 14.462 -6.752 1.00 0.00 H new ATOM 1463 N SER A 98 -5.280 14.712 -11.925 1.00 0.00 N ATOM 1464 CA SER A 98 -5.865 14.061 -13.091 1.00 0.00 C ATOM 1465 C SER A 98 -6.373 15.094 -14.093 1.00 0.00 C ATOM 1466 O SER A 98 -7.288 15.863 -13.797 1.00 0.00 O ATOM 1467 CB SER A 98 -7.011 13.141 -12.668 1.00 0.00 C ATOM 1468 OG SER A 98 -6.548 11.819 -12.446 1.00 0.00 O ATOM 0 H SER A 98 -5.449 15.717 -11.873 1.00 0.00 H new ATOM 0 HA SER A 98 -5.088 13.466 -13.570 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.474 13.525 -11.759 1.00 0.00 H new ATOM 0 HB3 SER A 98 -7.781 13.135 -13.440 1.00 0.00 H new ATOM 0 HG SER A 98 -5.718 11.846 -11.926 1.00 0.00 H new ATOM 1474 N SER A 99 -5.772 15.106 -15.278 1.00 0.00 N ATOM 1475 CA SER A 99 -6.161 16.046 -16.324 1.00 0.00 C ATOM 1476 C SER A 99 -5.960 17.485 -15.865 1.00 0.00 C ATOM 1477 O SER A 99 -6.659 17.968 -14.975 1.00 0.00 O ATOM 1478 CB SER A 99 -7.623 15.824 -16.718 1.00 0.00 C ATOM 1479 OG SER A 99 -7.927 14.442 -16.797 1.00 0.00 O ATOM 0 H SER A 99 -5.014 14.476 -15.538 1.00 0.00 H new ATOM 0 HA SER A 99 -5.526 15.869 -17.192 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.276 16.302 -15.988 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.820 16.298 -17.680 1.00 0.00 H new ATOM 0 HG SER A 99 -8.867 14.328 -17.049 1.00 0.00 H new ATOM 1485 N GLY A 100 -4.997 18.166 -16.478 1.00 0.00 N ATOM 1486 CA GLY A 100 -4.719 19.545 -16.118 1.00 0.00 C ATOM 1487 C GLY A 100 -3.445 19.689 -15.311 1.00 0.00 C ATOM 1488 O GLY A 100 -3.527 19.670 -14.064 1.00 0.00 O ATOM 1489 OXT GLY A 100 -2.365 19.819 -15.924 1.00 0.00 O ATOM 0 H GLY A 100 -4.404 17.788 -17.217 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.641 20.145 -17.025 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.556 19.943 -15.544 1.00 0.00 H new TER 1493 GLY A 100