USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 829 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 46 CYS SG : rot 130:sc= -0.186 USER MOD Set 1.2: A 48 THR OG1 : rot 92:sc= 0.784 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 50:sc= 0.448 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 14 LYS NZ :NH3+ -120:sc= 0.33 (180deg=-0.467) USER MOD Single : A 18 HIS : no HD1:sc= -3.87! C(o=-3.9!,f=-8.5!) USER MOD Single : A 20 GLN : amide:sc=-0.00634 X(o=-0.0063,f=-0.14) USER MOD Single : A 24 GLN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0108 USER MOD Single : A 30 GLN : amide:sc= -4.4! C(o=-4.4!,f=-10!) USER MOD Single : A 33 TYR OH : rot 165:sc= -0.271 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.828 K(o=-0.83,f=-3.7!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.106 F(o=-0.66,f=-0.11) USER MOD Single : A 47 ASN : amide:sc= -0.116 K(o=-0.12,f=-2.9!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= -0.0335 (180deg=-0.259) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.00093) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -110:sc= -1.85 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.236 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.00098) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.905 USER MOD Single : A 85 LYS NZ :NH3+ -145:sc= -0.217 (180deg=-1.49!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.64) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 149:sc= -0.119 (180deg=-0.73) USER MOD Single : A 99 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.451) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 63:sc= 1.08 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.648 28.082 -16.536 1.00 0.00 N ATOM 2 CA GLY A 1 -26.214 28.101 -16.311 1.00 0.00 C ATOM 3 C GLY A 1 -25.547 26.801 -16.715 1.00 0.00 C ATOM 4 O GLY A 1 -25.774 25.761 -16.098 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.057 28.992 -16.244 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.839 27.924 -17.546 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.077 27.315 -15.979 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.772 28.923 -16.874 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.017 28.295 -15.257 1.00 0.00 H new ATOM 8 N SER A 2 -24.722 26.860 -17.756 1.00 0.00 N ATOM 9 CA SER A 2 -24.024 25.678 -18.246 1.00 0.00 C ATOM 10 C SER A 2 -22.733 25.447 -17.465 1.00 0.00 C ATOM 11 O SER A 2 -21.654 25.855 -17.894 1.00 0.00 O ATOM 12 CB SER A 2 -23.713 25.824 -19.736 1.00 0.00 C ATOM 13 OG SER A 2 -23.008 27.026 -19.995 1.00 0.00 O ATOM 0 H SER A 2 -24.521 27.714 -18.276 1.00 0.00 H new ATOM 0 HA SER A 2 -24.675 24.816 -18.101 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.122 24.972 -20.072 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.641 25.813 -20.307 1.00 0.00 H new ATOM 0 HG SER A 2 -22.247 27.098 -19.382 1.00 0.00 H new ATOM 19 N SER A 3 -22.853 24.789 -16.317 1.00 0.00 N ATOM 20 CA SER A 3 -21.698 24.506 -15.473 1.00 0.00 C ATOM 21 C SER A 3 -21.049 23.182 -15.866 1.00 0.00 C ATOM 22 O SER A 3 -21.674 22.338 -16.507 1.00 0.00 O ATOM 23 CB SER A 3 -22.111 24.467 -14.001 1.00 0.00 C ATOM 24 OG SER A 3 -23.197 23.580 -13.800 1.00 0.00 O ATOM 0 H SER A 3 -23.739 24.442 -15.950 1.00 0.00 H new ATOM 0 HA SER A 3 -20.970 25.305 -15.617 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.264 24.154 -13.390 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.389 25.468 -13.671 1.00 0.00 H new ATOM 0 HG SER A 3 -23.441 23.572 -12.851 1.00 0.00 H new ATOM 30 N GLY A 4 -19.790 23.008 -15.477 1.00 0.00 N ATOM 31 CA GLY A 4 -19.077 21.786 -15.796 1.00 0.00 C ATOM 32 C GLY A 4 -17.681 21.757 -15.205 1.00 0.00 C ATOM 33 O GLY A 4 -16.732 21.323 -15.857 1.00 0.00 O ATOM 0 H GLY A 4 -19.251 23.692 -14.946 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.643 20.932 -15.425 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.012 21.679 -16.879 1.00 0.00 H new ATOM 37 N SER A 5 -17.555 22.223 -13.966 1.00 0.00 N ATOM 38 CA SER A 5 -16.264 22.254 -13.289 1.00 0.00 C ATOM 39 C SER A 5 -15.743 20.840 -13.047 1.00 0.00 C ATOM 40 O SER A 5 -16.511 19.927 -12.743 1.00 0.00 O ATOM 41 CB SER A 5 -16.381 23.001 -11.959 1.00 0.00 C ATOM 42 OG SER A 5 -16.370 24.403 -12.159 1.00 0.00 O ATOM 0 H SER A 5 -18.331 22.584 -13.411 1.00 0.00 H new ATOM 0 HA SER A 5 -15.556 22.778 -13.932 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.302 22.710 -11.455 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.556 22.717 -11.305 1.00 0.00 H new ATOM 0 HG SER A 5 -16.448 24.857 -11.294 1.00 0.00 H new ATOM 48 N SER A 6 -14.433 20.668 -13.186 1.00 0.00 N ATOM 49 CA SER A 6 -13.808 19.365 -12.987 1.00 0.00 C ATOM 50 C SER A 6 -12.870 19.391 -11.784 1.00 0.00 C ATOM 51 O SER A 6 -11.756 19.907 -11.863 1.00 0.00 O ATOM 52 CB SER A 6 -13.036 18.949 -14.241 1.00 0.00 C ATOM 53 OG SER A 6 -13.912 18.756 -15.338 1.00 0.00 O ATOM 0 H SER A 6 -13.783 21.414 -13.436 1.00 0.00 H new ATOM 0 HA SER A 6 -14.596 18.637 -12.796 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.300 19.714 -14.489 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.486 18.029 -14.045 1.00 0.00 H new ATOM 0 HG SER A 6 -13.395 18.492 -16.127 1.00 0.00 H new ATOM 59 N GLY A 7 -13.330 18.829 -10.670 1.00 0.00 N ATOM 60 CA GLY A 7 -12.521 18.798 -9.466 1.00 0.00 C ATOM 61 C GLY A 7 -11.801 17.476 -9.286 1.00 0.00 C ATOM 62 O GLY A 7 -12.428 16.417 -9.260 1.00 0.00 O ATOM 0 H GLY A 7 -14.249 18.395 -10.580 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.789 19.605 -9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.156 18.983 -8.600 1.00 0.00 H new ATOM 66 N LEU A 8 -10.479 17.537 -9.162 1.00 0.00 N ATOM 67 CA LEU A 8 -9.672 16.335 -8.985 1.00 0.00 C ATOM 68 C LEU A 8 -9.656 15.900 -7.524 1.00 0.00 C ATOM 69 O LEU A 8 -9.925 14.741 -7.208 1.00 0.00 O ATOM 70 CB LEU A 8 -8.242 16.581 -9.471 1.00 0.00 C ATOM 71 CG LEU A 8 -7.463 15.344 -9.919 1.00 0.00 C ATOM 72 CD1 LEU A 8 -7.247 14.397 -8.749 1.00 0.00 C ATOM 73 CD2 LEU A 8 -8.191 14.637 -11.053 1.00 0.00 C ATOM 0 H LEU A 8 -9.944 18.405 -9.181 1.00 0.00 H new ATOM 0 HA LEU A 8 -10.119 15.537 -9.578 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.278 17.284 -10.303 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.685 17.065 -8.669 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.488 15.665 -10.285 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.691 13.522 -9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.683 14.906 -7.968 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.212 14.082 -8.353 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.622 13.759 -11.359 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.180 14.329 -10.714 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.293 15.316 -11.899 1.00 0.00 H new ATOM 85 N ALA A 9 -9.341 16.837 -6.636 1.00 0.00 N ATOM 86 CA ALA A 9 -9.295 16.552 -5.207 1.00 0.00 C ATOM 87 C ALA A 9 -10.552 15.819 -4.753 1.00 0.00 C ATOM 88 O ALA A 9 -10.473 14.769 -4.115 1.00 0.00 O ATOM 89 CB ALA A 9 -9.118 17.840 -4.417 1.00 0.00 C ATOM 0 H ALA A 9 -9.114 17.801 -6.881 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.440 15.903 -5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.085 17.612 -3.352 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.187 18.324 -4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.955 18.509 -4.619 1.00 0.00 H new ATOM 95 N GLU A 10 -11.711 16.379 -5.085 1.00 0.00 N ATOM 96 CA GLU A 10 -12.985 15.778 -4.709 1.00 0.00 C ATOM 97 C GLU A 10 -12.958 14.267 -4.922 1.00 0.00 C ATOM 98 O GLU A 10 -13.416 13.501 -4.073 1.00 0.00 O ATOM 99 CB GLU A 10 -14.126 16.398 -5.519 1.00 0.00 C ATOM 100 CG GLU A 10 -13.775 16.639 -6.977 1.00 0.00 C ATOM 101 CD GLU A 10 -14.972 17.074 -7.801 1.00 0.00 C ATOM 102 OE1 GLU A 10 -15.228 18.294 -7.876 1.00 0.00 O ATOM 103 OE2 GLU A 10 -15.652 16.195 -8.370 1.00 0.00 O ATOM 0 H GLU A 10 -11.794 17.248 -5.613 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.152 15.975 -3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.995 15.743 -5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.413 17.345 -5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.999 17.402 -7.039 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.358 15.726 -7.402 1.00 0.00 H new ATOM 110 N LEU A 11 -12.418 13.846 -6.060 1.00 0.00 N ATOM 111 CA LEU A 11 -12.330 12.427 -6.386 1.00 0.00 C ATOM 112 C LEU A 11 -11.317 11.723 -5.489 1.00 0.00 C ATOM 113 O LEU A 11 -11.622 10.703 -4.872 1.00 0.00 O ATOM 114 CB LEU A 11 -11.943 12.243 -7.854 1.00 0.00 C ATOM 115 CG LEU A 11 -13.099 12.203 -8.854 1.00 0.00 C ATOM 116 CD1 LEU A 11 -14.185 11.251 -8.376 1.00 0.00 C ATOM 117 CD2 LEU A 11 -13.668 13.598 -9.069 1.00 0.00 C ATOM 0 H LEU A 11 -12.034 14.467 -6.773 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.310 11.980 -6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.273 13.055 -8.137 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.377 11.316 -7.946 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.717 11.838 -9.807 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.000 11.235 -9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.771 10.248 -8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.564 11.587 -7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.490 13.550 -9.784 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -14.034 13.992 -8.121 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.888 14.253 -9.457 1.00 0.00 H new ATOM 129 N PHE A 12 -10.111 12.277 -5.421 1.00 0.00 N ATOM 130 CA PHE A 12 -9.052 11.703 -4.598 1.00 0.00 C ATOM 131 C PHE A 12 -9.594 11.268 -3.240 1.00 0.00 C ATOM 132 O PHE A 12 -9.156 10.264 -2.678 1.00 0.00 O ATOM 133 CB PHE A 12 -7.920 12.715 -4.408 1.00 0.00 C ATOM 134 CG PHE A 12 -6.845 12.242 -3.472 1.00 0.00 C ATOM 135 CD1 PHE A 12 -5.908 11.309 -3.886 1.00 0.00 C ATOM 136 CD2 PHE A 12 -6.771 12.731 -2.177 1.00 0.00 C ATOM 137 CE1 PHE A 12 -4.917 10.872 -3.028 1.00 0.00 C ATOM 138 CE2 PHE A 12 -5.781 12.298 -1.315 1.00 0.00 C ATOM 139 CZ PHE A 12 -4.854 11.367 -1.740 1.00 0.00 C ATOM 0 H PHE A 12 -9.843 13.122 -5.925 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.662 10.824 -5.112 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.475 12.937 -5.378 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.337 13.648 -4.028 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.953 10.918 -4.892 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.494 13.458 -1.838 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.193 10.145 -3.364 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.733 12.688 -0.309 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.081 11.027 -1.067 1.00 0.00 H new ATOM 149 N GLU A 13 -10.549 12.031 -2.718 1.00 0.00 N ATOM 150 CA GLU A 13 -11.150 11.725 -1.425 1.00 0.00 C ATOM 151 C GLU A 13 -11.967 10.438 -1.496 1.00 0.00 C ATOM 152 O GLU A 13 -11.756 9.512 -0.712 1.00 0.00 O ATOM 153 CB GLU A 13 -12.040 12.882 -0.965 1.00 0.00 C ATOM 154 CG GLU A 13 -11.364 14.240 -1.047 1.00 0.00 C ATOM 155 CD GLU A 13 -11.894 15.219 -0.018 1.00 0.00 C ATOM 156 OE1 GLU A 13 -11.669 14.992 1.189 1.00 0.00 O ATOM 157 OE2 GLU A 13 -12.534 16.213 -0.420 1.00 0.00 O ATOM 0 H GLU A 13 -10.923 12.865 -3.170 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.346 11.585 -0.703 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.944 12.898 -1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.352 12.702 0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.290 14.116 -0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.509 14.654 -2.045 1.00 0.00 H new ATOM 164 N LYS A 14 -12.900 10.387 -2.440 1.00 0.00 N ATOM 165 CA LYS A 14 -13.748 9.215 -2.616 1.00 0.00 C ATOM 166 C LYS A 14 -12.910 7.974 -2.905 1.00 0.00 C ATOM 167 O LYS A 14 -12.989 6.978 -2.185 1.00 0.00 O ATOM 168 CB LYS A 14 -14.744 9.446 -3.754 1.00 0.00 C ATOM 169 CG LYS A 14 -15.962 10.255 -3.342 1.00 0.00 C ATOM 170 CD LYS A 14 -16.731 10.760 -4.551 1.00 0.00 C ATOM 171 CE LYS A 14 -16.169 12.080 -5.058 1.00 0.00 C ATOM 172 NZ LYS A 14 -16.373 13.182 -4.078 1.00 0.00 N ATOM 0 H LYS A 14 -13.088 11.145 -3.096 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.297 9.053 -1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.237 9.959 -4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.073 8.481 -4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.616 9.640 -2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.648 11.101 -2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.689 10.016 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.781 10.887 -4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.104 11.967 -5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.648 12.340 -6.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.947 13.932 -4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.864 12.814 -3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.451 13.571 -3.796 1.00 0.00 H new ATOM 186 N ALA A 15 -12.106 8.041 -3.961 1.00 0.00 N ATOM 187 CA ALA A 15 -11.250 6.925 -4.342 1.00 0.00 C ATOM 188 C ALA A 15 -10.623 6.270 -3.116 1.00 0.00 C ATOM 189 O ALA A 15 -10.640 5.047 -2.976 1.00 0.00 O ATOM 190 CB ALA A 15 -10.167 7.394 -5.303 1.00 0.00 C ATOM 0 H ALA A 15 -12.030 8.857 -4.568 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.868 6.181 -4.843 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.535 6.550 -5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.630 7.809 -6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.559 8.160 -4.821 1.00 0.00 H new ATOM 196 N ALA A 16 -10.070 7.091 -2.229 1.00 0.00 N ATOM 197 CA ALA A 16 -9.439 6.591 -1.014 1.00 0.00 C ATOM 198 C ALA A 16 -10.356 5.620 -0.279 1.00 0.00 C ATOM 199 O ALA A 16 -9.921 4.561 0.171 1.00 0.00 O ATOM 200 CB ALA A 16 -9.055 7.749 -0.105 1.00 0.00 C ATOM 0 H ALA A 16 -10.046 8.106 -2.329 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.536 6.051 -1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.585 7.362 0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.356 8.404 -0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.949 8.312 0.164 1.00 0.00 H new ATOM 206 N ALA A 17 -11.628 5.989 -0.161 1.00 0.00 N ATOM 207 CA ALA A 17 -12.606 5.149 0.519 1.00 0.00 C ATOM 208 C ALA A 17 -12.800 3.827 -0.216 1.00 0.00 C ATOM 209 O ALA A 17 -13.124 2.808 0.395 1.00 0.00 O ATOM 210 CB ALA A 17 -13.933 5.883 0.647 1.00 0.00 C ATOM 0 H ALA A 17 -12.004 6.863 -0.527 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.227 4.928 1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.654 5.244 1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -13.789 6.798 1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.308 6.133 -0.346 1.00 0.00 H new ATOM 216 N HIS A 18 -12.601 3.851 -1.530 1.00 0.00 N ATOM 217 CA HIS A 18 -12.755 2.653 -2.348 1.00 0.00 C ATOM 218 C HIS A 18 -11.564 1.716 -2.168 1.00 0.00 C ATOM 219 O HIS A 18 -11.714 0.494 -2.189 1.00 0.00 O ATOM 220 CB HIS A 18 -12.901 3.032 -3.822 1.00 0.00 C ATOM 221 CG HIS A 18 -13.710 2.052 -4.615 1.00 0.00 C ATOM 222 ND1 HIS A 18 -14.844 1.440 -4.124 1.00 0.00 N ATOM 223 CD2 HIS A 18 -13.543 1.580 -5.872 1.00 0.00 C ATOM 224 CE1 HIS A 18 -15.339 0.632 -5.045 1.00 0.00 C ATOM 225 NE2 HIS A 18 -14.568 0.699 -6.115 1.00 0.00 N ATOM 0 H HIS A 18 -12.333 4.686 -2.051 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.657 2.134 -2.023 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.366 4.015 -3.891 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.910 3.116 -4.267 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.751 1.846 -6.557 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -16.223 0.021 -4.940 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.711 0.180 -6.982 1.00 0.00 H new ATOM 234 N LEU A 19 -10.382 2.296 -1.991 1.00 0.00 N ATOM 235 CA LEU A 19 -9.165 1.513 -1.808 1.00 0.00 C ATOM 236 C LEU A 19 -9.408 0.343 -0.860 1.00 0.00 C ATOM 237 O LEU A 19 -9.008 -0.786 -1.139 1.00 0.00 O ATOM 238 CB LEU A 19 -8.042 2.399 -1.266 1.00 0.00 C ATOM 239 CG LEU A 19 -6.620 1.989 -1.648 1.00 0.00 C ATOM 240 CD1 LEU A 19 -5.601 2.848 -0.915 1.00 0.00 C ATOM 241 CD2 LEU A 19 -6.391 0.514 -1.348 1.00 0.00 C ATOM 0 H LEU A 19 -10.241 3.306 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.869 1.115 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.211 3.418 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.114 2.417 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.493 2.146 -2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.595 2.541 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.750 3.895 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.727 2.724 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.373 0.240 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.537 0.332 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.098 -0.088 -1.919 1.00 0.00 H new ATOM 253 N GLN A 20 -10.069 0.622 0.259 1.00 0.00 N ATOM 254 CA GLN A 20 -10.366 -0.408 1.247 1.00 0.00 C ATOM 255 C GLN A 20 -11.233 -1.508 0.642 1.00 0.00 C ATOM 256 O GLN A 20 -11.127 -2.674 1.020 1.00 0.00 O ATOM 257 CB GLN A 20 -11.071 0.205 2.458 1.00 0.00 C ATOM 258 CG GLN A 20 -10.224 1.224 3.204 1.00 0.00 C ATOM 259 CD GLN A 20 -9.351 0.589 4.269 1.00 0.00 C ATOM 260 OE1 GLN A 20 -9.839 -0.137 5.135 1.00 0.00 O ATOM 261 NE2 GLN A 20 -8.053 0.861 4.211 1.00 0.00 N ATOM 0 H GLN A 20 -10.409 1.552 0.504 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.423 -0.849 1.570 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.993 0.683 2.127 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.354 -0.592 3.145 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.593 1.757 2.493 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.877 1.964 3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.692 1.468 3.475 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.417 0.463 4.902 1.00 0.00 H new ATOM 270 N GLY A 21 -12.092 -1.127 -0.299 1.00 0.00 N ATOM 271 CA GLY A 21 -12.965 -2.093 -0.940 1.00 0.00 C ATOM 272 C GLY A 21 -12.295 -2.799 -2.102 1.00 0.00 C ATOM 273 O GLY A 21 -12.844 -3.750 -2.660 1.00 0.00 O ATOM 0 H GLY A 21 -12.199 -0.168 -0.628 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.285 -2.832 -0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.863 -1.587 -1.295 1.00 0.00 H new ATOM 277 N LEU A 22 -11.106 -2.333 -2.469 1.00 0.00 N ATOM 278 CA LEU A 22 -10.360 -2.925 -3.574 1.00 0.00 C ATOM 279 C LEU A 22 -9.092 -3.608 -3.070 1.00 0.00 C ATOM 280 O LEU A 22 -8.217 -3.971 -3.857 1.00 0.00 O ATOM 281 CB LEU A 22 -10.001 -1.854 -4.605 1.00 0.00 C ATOM 282 CG LEU A 22 -11.145 -0.944 -5.053 1.00 0.00 C ATOM 283 CD1 LEU A 22 -10.627 0.150 -5.973 1.00 0.00 C ATOM 284 CD2 LEU A 22 -12.232 -1.754 -5.744 1.00 0.00 C ATOM 0 H LEU A 22 -10.638 -1.547 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.993 -3.677 -4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.208 -1.231 -4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.591 -2.349 -5.485 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.577 -0.474 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.455 0.788 -6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.885 0.749 -5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.169 -0.301 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.038 -1.090 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.814 -2.253 -6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.624 -2.501 -5.053 1.00 0.00 H new ATOM 296 N ILE A 23 -9.002 -3.782 -1.756 1.00 0.00 N ATOM 297 CA ILE A 23 -7.843 -4.425 -1.149 1.00 0.00 C ATOM 298 C ILE A 23 -7.693 -5.862 -1.637 1.00 0.00 C ATOM 299 O ILE A 23 -6.583 -6.387 -1.715 1.00 0.00 O ATOM 300 CB ILE A 23 -7.940 -4.424 0.388 1.00 0.00 C ATOM 301 CG1 ILE A 23 -8.111 -2.996 0.909 1.00 0.00 C ATOM 302 CG2 ILE A 23 -6.705 -5.072 0.997 1.00 0.00 C ATOM 303 CD1 ILE A 23 -6.931 -2.098 0.610 1.00 0.00 C ATOM 0 H ILE A 23 -9.717 -3.487 -1.091 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.968 -3.849 -1.450 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.814 -5.005 0.683 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.008 -2.562 0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.269 -3.028 1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.788 -5.064 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.624 -6.101 0.647 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.817 -4.516 0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.122 -1.102 1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.034 -2.509 1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.785 -2.036 -0.468 1.00 0.00 H new ATOM 315 N GLN A 24 -8.817 -6.490 -1.966 1.00 0.00 N ATOM 316 CA GLN A 24 -8.810 -7.866 -2.448 1.00 0.00 C ATOM 317 C GLN A 24 -8.372 -7.929 -3.907 1.00 0.00 C ATOM 318 O GLN A 24 -7.981 -8.986 -4.404 1.00 0.00 O ATOM 319 CB GLN A 24 -10.197 -8.491 -2.291 1.00 0.00 C ATOM 320 CG GLN A 24 -10.740 -8.419 -0.873 1.00 0.00 C ATOM 321 CD GLN A 24 -12.155 -8.954 -0.763 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.417 -9.897 -0.015 1.00 0.00 O ATOM 323 NE2 GLN A 24 -13.075 -8.354 -1.508 1.00 0.00 N ATOM 0 H GLN A 24 -9.744 -6.068 -1.908 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.096 -8.431 -1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.892 -7.987 -2.963 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -10.153 -9.535 -2.602 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.088 -8.987 -0.209 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.719 -7.384 -0.532 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.813 -7.576 -2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -14.044 -8.671 -1.475 1.00 0.00 H new ATOM 332 N VAL A 25 -8.440 -6.791 -4.590 1.00 0.00 N ATOM 333 CA VAL A 25 -8.050 -6.717 -5.993 1.00 0.00 C ATOM 334 C VAL A 25 -6.727 -5.977 -6.157 1.00 0.00 C ATOM 335 O VAL A 25 -6.122 -5.997 -7.228 1.00 0.00 O ATOM 336 CB VAL A 25 -9.128 -6.013 -6.839 1.00 0.00 C ATOM 337 CG1 VAL A 25 -10.430 -6.800 -6.806 1.00 0.00 C ATOM 338 CG2 VAL A 25 -9.343 -4.589 -6.349 1.00 0.00 C ATOM 0 H VAL A 25 -8.762 -5.907 -4.195 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.936 -7.742 -6.344 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.784 -5.969 -7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.180 -6.288 -7.409 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.262 -7.799 -7.208 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.782 -6.877 -5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.108 -4.106 -6.958 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.666 -4.607 -5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.410 -4.032 -6.430 1.00 0.00 H new ATOM 348 N ALA A 26 -6.285 -5.323 -5.088 1.00 0.00 N ATOM 349 CA ALA A 26 -5.032 -4.578 -5.113 1.00 0.00 C ATOM 350 C ALA A 26 -3.864 -5.452 -4.669 1.00 0.00 C ATOM 351 O ALA A 26 -3.970 -6.199 -3.696 1.00 0.00 O ATOM 352 CB ALA A 26 -5.135 -3.343 -4.230 1.00 0.00 C ATOM 0 H ALA A 26 -6.776 -5.294 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.846 -4.263 -6.140 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.193 -2.796 -4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.938 -2.702 -4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.349 -3.645 -3.205 1.00 0.00 H new ATOM 358 N SER A 27 -2.751 -5.355 -5.389 1.00 0.00 N ATOM 359 CA SER A 27 -1.565 -6.141 -5.072 1.00 0.00 C ATOM 360 C SER A 27 -0.709 -5.434 -4.025 1.00 0.00 C ATOM 361 O SER A 27 -0.715 -4.207 -3.927 1.00 0.00 O ATOM 362 CB SER A 27 -0.740 -6.392 -6.336 1.00 0.00 C ATOM 363 OG SER A 27 0.563 -6.846 -6.013 1.00 0.00 O ATOM 0 H SER A 27 -2.646 -4.740 -6.196 1.00 0.00 H new ATOM 0 HA SER A 27 -1.892 -7.098 -4.664 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.242 -7.131 -6.961 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.674 -5.474 -6.919 1.00 0.00 H new ATOM 0 HG SER A 27 1.069 -7.001 -6.838 1.00 0.00 H new ATOM 369 N ARG A 28 0.026 -6.218 -3.243 1.00 0.00 N ATOM 370 CA ARG A 28 0.887 -5.669 -2.202 1.00 0.00 C ATOM 371 C ARG A 28 1.671 -4.468 -2.722 1.00 0.00 C ATOM 372 O ARG A 28 1.989 -3.549 -1.968 1.00 0.00 O ATOM 373 CB ARG A 28 1.853 -6.740 -1.692 1.00 0.00 C ATOM 374 CG ARG A 28 2.655 -7.412 -2.794 1.00 0.00 C ATOM 375 CD ARG A 28 3.703 -8.355 -2.225 1.00 0.00 C ATOM 376 NE ARG A 28 3.113 -9.599 -1.739 1.00 0.00 N ATOM 377 CZ ARG A 28 3.801 -10.538 -1.098 1.00 0.00 C ATOM 378 NH1 ARG A 28 5.097 -10.373 -0.867 1.00 0.00 N ATOM 379 NH2 ARG A 28 3.194 -11.643 -0.687 1.00 0.00 N ATOM 0 H ARG A 28 0.043 -7.236 -3.311 1.00 0.00 H new ATOM 0 HA ARG A 28 0.254 -5.339 -1.379 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.541 -6.286 -0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.288 -7.499 -1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.982 -7.966 -3.449 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.141 -6.653 -3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.443 -8.580 -2.993 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.231 -7.861 -1.409 1.00 0.00 H new ATOM 0 HE ARG A 28 2.118 -9.756 -1.900 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.567 -9.524 -1.182 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.623 -11.095 -0.375 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.198 -11.773 -0.863 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.723 -12.363 -0.195 1.00 0.00 H new ATOM 393 N GLU A 29 1.978 -4.483 -4.016 1.00 0.00 N ATOM 394 CA GLU A 29 2.726 -3.395 -4.635 1.00 0.00 C ATOM 395 C GLU A 29 1.814 -2.209 -4.934 1.00 0.00 C ATOM 396 O GLU A 29 2.209 -1.055 -4.776 1.00 0.00 O ATOM 397 CB GLU A 29 3.394 -3.876 -5.925 1.00 0.00 C ATOM 398 CG GLU A 29 4.431 -4.965 -5.704 1.00 0.00 C ATOM 399 CD GLU A 29 5.317 -5.182 -6.915 1.00 0.00 C ATOM 400 OE1 GLU A 29 6.332 -4.467 -7.044 1.00 0.00 O ATOM 401 OE2 GLU A 29 4.994 -6.068 -7.735 1.00 0.00 O ATOM 0 H GLU A 29 1.721 -5.235 -4.655 1.00 0.00 H new ATOM 0 HA GLU A 29 3.495 -3.072 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.627 -4.249 -6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.870 -3.027 -6.416 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.051 -4.702 -4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.925 -5.898 -5.457 1.00 0.00 H new ATOM 408 N GLN A 30 0.592 -2.504 -5.367 1.00 0.00 N ATOM 409 CA GLN A 30 -0.376 -1.462 -5.690 1.00 0.00 C ATOM 410 C GLN A 30 -0.739 -0.654 -4.448 1.00 0.00 C ATOM 411 O GLN A 30 -0.835 0.573 -4.499 1.00 0.00 O ATOM 412 CB GLN A 30 -1.636 -2.078 -6.299 1.00 0.00 C ATOM 413 CG GLN A 30 -1.549 -2.279 -7.803 1.00 0.00 C ATOM 414 CD GLN A 30 -2.773 -2.969 -8.372 1.00 0.00 C ATOM 415 OE1 GLN A 30 -3.345 -3.861 -7.744 1.00 0.00 O ATOM 416 NE2 GLN A 30 -3.183 -2.558 -9.566 1.00 0.00 N ATOM 0 H GLN A 30 0.249 -3.455 -5.502 1.00 0.00 H new ATOM 0 HA GLN A 30 0.079 -0.791 -6.418 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.827 -3.040 -5.823 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.489 -1.437 -6.075 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.424 -1.311 -8.288 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.663 -2.869 -8.036 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.679 -1.816 -10.051 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.002 -2.985 -9.999 1.00 0.00 H new ATOM 425 N LEU A 31 -0.941 -1.349 -3.334 1.00 0.00 N ATOM 426 CA LEU A 31 -1.295 -0.696 -2.079 1.00 0.00 C ATOM 427 C LEU A 31 -0.283 0.388 -1.725 1.00 0.00 C ATOM 428 O LEU A 31 -0.649 1.460 -1.241 1.00 0.00 O ATOM 429 CB LEU A 31 -1.372 -1.726 -0.950 1.00 0.00 C ATOM 430 CG LEU A 31 -2.627 -2.599 -0.922 1.00 0.00 C ATOM 431 CD1 LEU A 31 -3.874 -1.747 -1.104 1.00 0.00 C ATOM 432 CD2 LEU A 31 -2.552 -3.675 -1.996 1.00 0.00 C ATOM 0 H LEU A 31 -0.866 -2.364 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.272 -0.228 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.502 -2.378 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.299 -1.199 0.001 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.685 -3.088 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.757 -2.385 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.935 -1.015 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.825 -1.230 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.453 -4.287 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.469 -3.206 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.679 -4.304 -1.820 1.00 0.00 H new ATOM 444 N LEU A 32 0.991 0.104 -1.972 1.00 0.00 N ATOM 445 CA LEU A 32 2.058 1.057 -1.681 1.00 0.00 C ATOM 446 C LEU A 32 2.046 2.208 -2.682 1.00 0.00 C ATOM 447 O LEU A 32 2.178 3.373 -2.304 1.00 0.00 O ATOM 448 CB LEU A 32 3.416 0.355 -1.709 1.00 0.00 C ATOM 449 CG LEU A 32 4.535 1.027 -0.912 1.00 0.00 C ATOM 450 CD1 LEU A 32 4.546 0.522 0.522 1.00 0.00 C ATOM 451 CD2 LEU A 32 5.883 0.783 -1.575 1.00 0.00 C ATOM 0 H LEU A 32 1.311 -0.778 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 32 1.888 1.465 -0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.286 -0.659 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.737 0.270 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 32 4.349 2.101 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.349 1.011 1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.590 0.748 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.707 -0.556 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.667 1.268 -0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.077 -0.289 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.872 1.194 -2.584 1.00 0.00 H new ATOM 463 N TYR A 33 1.886 1.875 -3.957 1.00 0.00 N ATOM 464 CA TYR A 33 1.858 2.881 -5.012 1.00 0.00 C ATOM 465 C TYR A 33 0.930 4.034 -4.641 1.00 0.00 C ATOM 466 O TYR A 33 1.228 5.198 -4.912 1.00 0.00 O ATOM 467 CB TYR A 33 1.406 2.254 -6.332 1.00 0.00 C ATOM 468 CG TYR A 33 1.577 3.166 -7.526 1.00 0.00 C ATOM 469 CD1 TYR A 33 2.822 3.345 -8.117 1.00 0.00 C ATOM 470 CD2 TYR A 33 0.493 3.851 -8.062 1.00 0.00 C ATOM 471 CE1 TYR A 33 2.982 4.178 -9.207 1.00 0.00 C ATOM 472 CE2 TYR A 33 0.644 4.685 -9.153 1.00 0.00 C ATOM 473 CZ TYR A 33 1.890 4.845 -9.722 1.00 0.00 C ATOM 474 OH TYR A 33 2.045 5.676 -10.808 1.00 0.00 O ATOM 0 H TYR A 33 1.774 0.916 -4.286 1.00 0.00 H new ATOM 0 HA TYR A 33 2.868 3.274 -5.130 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.971 1.338 -6.502 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.357 1.971 -6.249 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.679 2.824 -7.717 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.484 3.729 -7.618 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.957 4.306 -9.654 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.209 5.209 -9.558 1.00 0.00 H new ATOM 0 HH TYR A 33 1.167 5.879 -11.193 1.00 0.00 H new ATOM 484 N LEU A 34 -0.196 3.702 -4.018 1.00 0.00 N ATOM 485 CA LEU A 34 -1.169 4.708 -3.608 1.00 0.00 C ATOM 486 C LEU A 34 -0.749 5.369 -2.299 1.00 0.00 C ATOM 487 O LEU A 34 -1.193 6.471 -1.978 1.00 0.00 O ATOM 488 CB LEU A 34 -2.552 4.074 -3.452 1.00 0.00 C ATOM 489 CG LEU A 34 -2.968 3.093 -4.548 1.00 0.00 C ATOM 490 CD1 LEU A 34 -4.411 2.653 -4.352 1.00 0.00 C ATOM 491 CD2 LEU A 34 -2.782 3.719 -5.923 1.00 0.00 C ATOM 0 H LEU A 34 -0.457 2.744 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.213 5.474 -4.383 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.585 3.554 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.293 4.872 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.329 2.212 -4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.689 1.955 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.514 2.164 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.065 3.524 -4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.083 3.006 -6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.396 4.617 -6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.734 3.983 -6.064 1.00 0.00 H new ATOM 503 N TYR A 35 0.110 4.689 -1.548 1.00 0.00 N ATOM 504 CA TYR A 35 0.590 5.210 -0.273 1.00 0.00 C ATOM 505 C TYR A 35 1.570 6.360 -0.489 1.00 0.00 C ATOM 506 O TYR A 35 1.490 7.391 0.178 1.00 0.00 O ATOM 507 CB TYR A 35 1.261 4.098 0.536 1.00 0.00 C ATOM 508 CG TYR A 35 2.172 4.610 1.628 1.00 0.00 C ATOM 509 CD1 TYR A 35 3.395 5.196 1.322 1.00 0.00 C ATOM 510 CD2 TYR A 35 1.812 4.507 2.966 1.00 0.00 C ATOM 511 CE1 TYR A 35 4.231 5.665 2.317 1.00 0.00 C ATOM 512 CE2 TYR A 35 2.641 4.974 3.967 1.00 0.00 C ATOM 513 CZ TYR A 35 3.850 5.552 3.638 1.00 0.00 C ATOM 514 OH TYR A 35 4.679 6.017 4.632 1.00 0.00 O ATOM 0 H TYR A 35 0.488 3.776 -1.800 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.268 5.587 0.283 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.491 3.469 0.982 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.837 3.466 -0.140 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.697 5.286 0.289 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.867 4.054 3.228 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.178 6.118 2.062 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.345 4.887 5.002 1.00 0.00 H new ATOM 0 HH TYR A 35 4.262 5.862 5.505 1.00 0.00 H new ATOM 524 N ALA A 36 2.493 6.174 -1.426 1.00 0.00 N ATOM 525 CA ALA A 36 3.487 7.195 -1.732 1.00 0.00 C ATOM 526 C ALA A 36 2.822 8.486 -2.197 1.00 0.00 C ATOM 527 O ALA A 36 2.928 9.522 -1.540 1.00 0.00 O ATOM 528 CB ALA A 36 4.456 6.688 -2.790 1.00 0.00 C ATOM 0 H ALA A 36 2.573 5.326 -1.987 1.00 0.00 H new ATOM 0 HA ALA A 36 4.043 7.411 -0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.193 7.461 -3.009 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.964 5.797 -2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.907 6.443 -3.699 1.00 0.00 H new ATOM 534 N ARG A 37 2.136 8.417 -3.334 1.00 0.00 N ATOM 535 CA ARG A 37 1.456 9.582 -3.887 1.00 0.00 C ATOM 536 C ARG A 37 0.502 10.191 -2.864 1.00 0.00 C ATOM 537 O ARG A 37 0.489 11.405 -2.657 1.00 0.00 O ATOM 538 CB ARG A 37 0.685 9.196 -5.151 1.00 0.00 C ATOM 539 CG ARG A 37 1.580 8.921 -6.349 1.00 0.00 C ATOM 540 CD ARG A 37 0.764 8.592 -7.589 1.00 0.00 C ATOM 541 NE ARG A 37 1.475 8.933 -8.819 1.00 0.00 N ATOM 542 CZ ARG A 37 2.484 8.218 -9.306 1.00 0.00 C ATOM 543 NH1 ARG A 37 2.897 7.130 -8.672 1.00 0.00 N ATOM 544 NH2 ARG A 37 3.081 8.593 -10.431 1.00 0.00 N ATOM 0 H ARG A 37 2.037 7.567 -3.889 1.00 0.00 H new ATOM 0 HA ARG A 37 2.211 10.325 -4.142 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.086 8.309 -4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.009 9.998 -5.403 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.206 9.792 -6.544 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.249 8.091 -6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.523 7.529 -7.593 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.181 9.133 -7.555 1.00 0.00 H new ATOM 0 HE ARG A 37 1.181 9.765 -9.332 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.440 6.839 -7.808 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.672 6.583 -9.048 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.765 9.430 -10.921 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.855 8.044 -10.805 1.00 0.00 H new ATOM 558 N TYR A 38 -0.295 9.341 -2.226 1.00 0.00 N ATOM 559 CA TYR A 38 -1.255 9.796 -1.227 1.00 0.00 C ATOM 560 C TYR A 38 -0.552 10.543 -0.097 1.00 0.00 C ATOM 561 O TYR A 38 -1.041 11.563 0.388 1.00 0.00 O ATOM 562 CB TYR A 38 -2.034 8.608 -0.660 1.00 0.00 C ATOM 563 CG TYR A 38 -2.987 8.984 0.452 1.00 0.00 C ATOM 564 CD1 TYR A 38 -2.516 9.304 1.719 1.00 0.00 C ATOM 565 CD2 TYR A 38 -4.359 9.019 0.236 1.00 0.00 C ATOM 566 CE1 TYR A 38 -3.383 9.647 2.739 1.00 0.00 C ATOM 567 CE2 TYR A 38 -5.233 9.363 1.248 1.00 0.00 C ATOM 568 CZ TYR A 38 -4.740 9.676 2.498 1.00 0.00 C ATOM 569 OH TYR A 38 -5.608 10.018 3.510 1.00 0.00 O ATOM 0 H TYR A 38 -0.295 8.333 -2.383 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.951 10.480 -1.713 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.597 8.136 -1.465 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.328 7.866 -0.287 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.453 9.284 1.910 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.749 8.773 -0.741 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.000 9.891 3.719 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.297 9.387 1.062 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.528 9.991 3.175 1.00 0.00 H new ATOM 579 N LYS A 39 0.600 10.027 0.317 1.00 0.00 N ATOM 580 CA LYS A 39 1.374 10.643 1.388 1.00 0.00 C ATOM 581 C LYS A 39 2.013 11.946 0.917 1.00 0.00 C ATOM 582 O LYS A 39 2.406 12.783 1.729 1.00 0.00 O ATOM 583 CB LYS A 39 2.458 9.681 1.881 1.00 0.00 C ATOM 584 CG LYS A 39 1.940 8.623 2.839 1.00 0.00 C ATOM 585 CD LYS A 39 1.676 9.200 4.220 1.00 0.00 C ATOM 586 CE LYS A 39 2.948 9.751 4.846 1.00 0.00 C ATOM 587 NZ LYS A 39 2.850 9.822 6.330 1.00 0.00 N ATOM 0 H LYS A 39 1.019 9.183 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 39 0.695 10.867 2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.914 9.189 1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.243 10.253 2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.021 8.191 2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.666 7.813 2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.932 9.993 4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.257 8.427 4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.792 9.120 4.568 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.148 10.746 4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.736 10.202 6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.060 10.444 6.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.685 8.869 6.713 1.00 0.00 H new ATOM 601 N GLN A 40 2.111 12.110 -0.398 1.00 0.00 N ATOM 602 CA GLN A 40 2.701 13.312 -0.976 1.00 0.00 C ATOM 603 C GLN A 40 1.681 14.445 -1.035 1.00 0.00 C ATOM 604 O GLN A 40 1.969 15.575 -0.640 1.00 0.00 O ATOM 605 CB GLN A 40 3.238 13.019 -2.378 1.00 0.00 C ATOM 606 CG GLN A 40 3.720 14.258 -3.116 1.00 0.00 C ATOM 607 CD GLN A 40 5.066 14.747 -2.618 1.00 0.00 C ATOM 608 OE1 GLN A 40 5.869 13.970 -2.101 1.00 0.00 O ATOM 609 NE2 GLN A 40 5.319 16.042 -2.770 1.00 0.00 N ATOM 0 H GLN A 40 1.790 11.426 -1.083 1.00 0.00 H new ATOM 0 HA GLN A 40 3.527 13.624 -0.337 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.061 12.309 -2.302 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.455 12.538 -2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.789 14.038 -4.181 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.984 15.054 -3.002 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.624 16.650 -3.204 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.208 16.429 -2.453 1.00 0.00 H new ATOM 618 N VAL A 41 0.488 14.135 -1.533 1.00 0.00 N ATOM 619 CA VAL A 41 -0.575 15.126 -1.643 1.00 0.00 C ATOM 620 C VAL A 41 -1.039 15.590 -0.267 1.00 0.00 C ATOM 621 O VAL A 41 -1.527 16.710 -0.108 1.00 0.00 O ATOM 622 CB VAL A 41 -1.783 14.570 -2.420 1.00 0.00 C ATOM 623 CG1 VAL A 41 -1.318 13.724 -3.596 1.00 0.00 C ATOM 624 CG2 VAL A 41 -2.685 13.765 -1.497 1.00 0.00 C ATOM 0 H VAL A 41 0.234 13.205 -1.867 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.161 15.974 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.358 15.409 -2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.185 13.340 -4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.716 14.335 -4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.719 12.890 -3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.533 13.380 -2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.123 12.933 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.046 14.405 -0.692 1.00 0.00 H new ATOM 634 N LYS A 42 -0.885 14.722 0.727 1.00 0.00 N ATOM 635 CA LYS A 42 -1.287 15.041 2.091 1.00 0.00 C ATOM 636 C LYS A 42 -0.164 15.758 2.835 1.00 0.00 C ATOM 637 O LYS A 42 -0.376 16.816 3.429 1.00 0.00 O ATOM 638 CB LYS A 42 -1.677 13.766 2.842 1.00 0.00 C ATOM 639 CG LYS A 42 -3.006 13.180 2.396 1.00 0.00 C ATOM 640 CD LYS A 42 -4.174 14.037 2.853 1.00 0.00 C ATOM 641 CE LYS A 42 -5.495 13.512 2.311 1.00 0.00 C ATOM 642 NZ LYS A 42 -6.644 13.911 3.171 1.00 0.00 N ATOM 0 H LYS A 42 -0.484 13.791 0.613 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.150 15.705 2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.895 13.019 2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.725 13.983 3.909 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.020 13.093 1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.114 12.172 2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.208 14.057 3.942 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.025 15.064 2.520 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.649 13.890 1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.453 12.425 2.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.526 13.534 2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.510 13.529 4.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.700 14.949 3.217 1.00 0.00 H new ATOM 656 N VAL A 43 1.030 15.176 2.798 1.00 0.00 N ATOM 657 CA VAL A 43 2.187 15.761 3.466 1.00 0.00 C ATOM 658 C VAL A 43 3.005 16.613 2.503 1.00 0.00 C ATOM 659 O VAL A 43 3.113 17.827 2.669 1.00 0.00 O ATOM 660 CB VAL A 43 3.095 14.674 4.071 1.00 0.00 C ATOM 661 CG1 VAL A 43 4.186 15.303 4.923 1.00 0.00 C ATOM 662 CG2 VAL A 43 2.273 13.687 4.886 1.00 0.00 C ATOM 0 H VAL A 43 1.222 14.300 2.313 1.00 0.00 H new ATOM 0 HA VAL A 43 1.804 16.391 4.268 1.00 0.00 H new ATOM 0 HB VAL A 43 3.572 14.129 3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.817 14.520 5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.792 15.967 4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.732 15.874 5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.930 12.926 5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.766 14.215 5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.532 13.212 4.243 1.00 0.00 H new ATOM 672 N GLY A 44 3.581 15.968 1.492 1.00 0.00 N ATOM 673 CA GLY A 44 4.382 16.682 0.516 1.00 0.00 C ATOM 674 C GLY A 44 5.825 16.219 0.500 1.00 0.00 C ATOM 675 O GLY A 44 6.098 15.020 0.455 1.00 0.00 O ATOM 0 H GLY A 44 3.507 14.963 1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.949 16.545 -0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.349 17.749 0.734 1.00 0.00 H new ATOM 679 N ASN A 45 6.752 17.171 0.536 1.00 0.00 N ATOM 680 CA ASN A 45 8.175 16.854 0.522 1.00 0.00 C ATOM 681 C ASN A 45 8.548 15.977 1.714 1.00 0.00 C ATOM 682 O ASN A 45 8.341 16.359 2.867 1.00 0.00 O ATOM 683 CB ASN A 45 9.006 18.138 0.540 1.00 0.00 C ATOM 684 CG ASN A 45 10.425 17.916 0.053 1.00 0.00 C ATOM 685 OD1 ASN A 45 10.678 18.256 -1.206 1.00 0.00 O flip ATOM 686 ND2 ASN A 45 11.282 17.445 0.800 1.00 0.00 N flip ATOM 0 H ASN A 45 6.543 18.169 0.575 1.00 0.00 H new ATOM 0 HA ASN A 45 8.390 16.304 -0.394 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.523 18.889 -0.086 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.031 18.537 1.554 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.042 17.198 1.760 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.233 17.301 0.459 1.00 0.00 H new ATOM 693 N CYS A 46 9.100 14.803 1.429 1.00 0.00 N ATOM 694 CA CYS A 46 9.502 13.872 2.477 1.00 0.00 C ATOM 695 C CYS A 46 10.250 14.597 3.591 1.00 0.00 C ATOM 696 O CYS A 46 11.312 15.174 3.365 1.00 0.00 O ATOM 697 CB CYS A 46 10.380 12.764 1.894 1.00 0.00 C ATOM 698 SG CYS A 46 10.572 11.328 2.976 1.00 0.00 S ATOM 0 H CYS A 46 9.279 14.473 0.481 1.00 0.00 H new ATOM 0 HA CYS A 46 8.601 13.427 2.899 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.952 12.437 0.946 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.366 13.174 1.674 1.00 0.00 H new ATOM 0 HG CYS A 46 10.317 10.243 2.307 1.00 0.00 H new ATOM 704 N ASN A 47 9.685 14.565 4.794 1.00 0.00 N ATOM 705 CA ASN A 47 10.298 15.222 5.943 1.00 0.00 C ATOM 706 C ASN A 47 10.713 14.199 6.996 1.00 0.00 C ATOM 707 O ASN A 47 11.670 14.412 7.741 1.00 0.00 O ATOM 708 CB ASN A 47 9.328 16.235 6.555 1.00 0.00 C ATOM 709 CG ASN A 47 7.885 15.776 6.473 1.00 0.00 C ATOM 710 OD1 ASN A 47 7.177 16.084 5.513 1.00 0.00 O ATOM 711 ND2 ASN A 47 7.441 15.035 7.482 1.00 0.00 N ATOM 0 H ASN A 47 8.805 14.092 4.998 1.00 0.00 H new ATOM 0 HA ASN A 47 11.190 15.745 5.598 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.594 16.404 7.598 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.432 17.190 6.041 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.479 14.697 7.482 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.062 14.804 8.257 1.00 0.00 H new ATOM 718 N THR A 48 9.988 13.087 7.052 1.00 0.00 N ATOM 719 CA THR A 48 10.280 12.031 8.013 1.00 0.00 C ATOM 720 C THR A 48 11.683 11.473 7.807 1.00 0.00 C ATOM 721 O THR A 48 12.193 11.406 6.688 1.00 0.00 O ATOM 722 CB THR A 48 9.262 10.880 7.910 1.00 0.00 C ATOM 723 OG1 THR A 48 9.018 10.563 6.535 1.00 0.00 O ATOM 724 CG2 THR A 48 7.953 11.252 8.590 1.00 0.00 C ATOM 0 H THR A 48 9.193 12.894 6.442 1.00 0.00 H new ATOM 0 HA THR A 48 10.212 12.479 9.004 1.00 0.00 H new ATOM 0 HB THR A 48 9.680 10.009 8.415 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.636 9.859 6.247 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.250 10.423 8.504 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.137 11.464 9.643 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.532 12.136 8.111 1.00 0.00 H new ATOM 732 N PRO A 49 12.325 11.061 8.911 1.00 0.00 N ATOM 733 CA PRO A 49 13.679 10.500 8.876 1.00 0.00 C ATOM 734 C PRO A 49 13.720 9.124 8.220 1.00 0.00 C ATOM 735 O PRO A 49 12.788 8.331 8.359 1.00 0.00 O ATOM 736 CB PRO A 49 14.059 10.398 10.355 1.00 0.00 C ATOM 737 CG PRO A 49 12.758 10.295 11.074 1.00 0.00 C ATOM 738 CD PRO A 49 11.778 11.111 10.277 1.00 0.00 C ATOM 0 HA PRO A 49 14.360 11.116 8.288 1.00 0.00 H new ATOM 0 HB2 PRO A 49 14.686 9.526 10.544 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.623 11.272 10.680 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.433 9.257 11.146 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.844 10.674 12.092 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.773 10.691 10.323 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.713 12.134 10.647 1.00 0.00 H new ATOM 746 N LYS A 50 14.805 8.846 7.505 1.00 0.00 N ATOM 747 CA LYS A 50 14.969 7.565 6.829 1.00 0.00 C ATOM 748 C LYS A 50 14.831 6.408 7.813 1.00 0.00 C ATOM 749 O LYS A 50 15.469 6.379 8.866 1.00 0.00 O ATOM 750 CB LYS A 50 16.332 7.501 6.137 1.00 0.00 C ATOM 751 CG LYS A 50 16.433 6.404 5.092 1.00 0.00 C ATOM 752 CD LYS A 50 17.524 6.699 4.076 1.00 0.00 C ATOM 753 CE LYS A 50 17.317 5.912 2.791 1.00 0.00 C ATOM 754 NZ LYS A 50 18.001 4.590 2.835 1.00 0.00 N ATOM 0 H LYS A 50 15.584 9.492 7.379 1.00 0.00 H new ATOM 0 HA LYS A 50 14.183 7.476 6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.535 8.462 5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.105 7.346 6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.638 5.452 5.582 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.477 6.299 4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.536 7.766 3.853 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.496 6.452 4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.250 5.764 2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.695 6.489 1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.836 4.084 1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.022 4.732 2.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.623 4.029 3.625 1.00 0.00 H new ATOM 768 N PRO A 51 13.981 5.431 7.465 1.00 0.00 N ATOM 769 CA PRO A 51 13.743 4.253 8.304 1.00 0.00 C ATOM 770 C PRO A 51 14.949 3.321 8.351 1.00 0.00 C ATOM 771 O PRO A 51 15.887 3.464 7.568 1.00 0.00 O ATOM 772 CB PRO A 51 12.560 3.563 7.619 1.00 0.00 C ATOM 773 CG PRO A 51 12.638 4.001 6.197 1.00 0.00 C ATOM 774 CD PRO A 51 13.188 5.400 6.225 1.00 0.00 C ATOM 0 HA PRO A 51 13.553 4.524 9.343 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.631 2.479 7.704 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.613 3.857 8.073 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.284 3.339 5.620 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.655 3.977 5.727 1.00 0.00 H new ATOM 0 HD2 PRO A 51 13.803 5.607 5.349 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.392 6.144 6.239 1.00 0.00 H new ATOM 782 N SER A 52 14.917 2.365 9.275 1.00 0.00 N ATOM 783 CA SER A 52 16.009 1.412 9.426 1.00 0.00 C ATOM 784 C SER A 52 16.050 0.441 8.250 1.00 0.00 C ATOM 785 O SER A 52 15.039 0.209 7.586 1.00 0.00 O ATOM 786 CB SER A 52 15.860 0.636 10.737 1.00 0.00 C ATOM 787 OG SER A 52 17.116 0.173 11.201 1.00 0.00 O ATOM 0 H SER A 52 14.146 2.231 9.930 1.00 0.00 H new ATOM 0 HA SER A 52 16.945 1.971 9.447 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.403 1.276 11.492 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.189 -0.210 10.588 1.00 0.00 H new ATOM 0 HG SER A 52 16.994 -0.318 12.040 1.00 0.00 H new ATOM 793 N PHE A 53 17.226 -0.124 7.997 1.00 0.00 N ATOM 794 CA PHE A 53 17.400 -1.069 6.901 1.00 0.00 C ATOM 795 C PHE A 53 16.582 -2.335 7.139 1.00 0.00 C ATOM 796 O PHE A 53 15.934 -2.850 6.227 1.00 0.00 O ATOM 797 CB PHE A 53 18.879 -1.427 6.738 1.00 0.00 C ATOM 798 CG PHE A 53 19.136 -2.434 5.654 1.00 0.00 C ATOM 799 CD1 PHE A 53 19.086 -3.791 5.925 1.00 0.00 C ATOM 800 CD2 PHE A 53 19.430 -2.022 4.363 1.00 0.00 C ATOM 801 CE1 PHE A 53 19.322 -4.721 4.929 1.00 0.00 C ATOM 802 CE2 PHE A 53 19.666 -2.947 3.364 1.00 0.00 C ATOM 803 CZ PHE A 53 19.613 -4.298 3.647 1.00 0.00 C ATOM 0 H PHE A 53 18.073 0.056 8.537 1.00 0.00 H new ATOM 0 HA PHE A 53 17.045 -0.595 5.986 1.00 0.00 H new ATOM 0 HB2 PHE A 53 19.442 -0.520 6.521 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.256 -1.818 7.683 1.00 0.00 H new ATOM 0 HD1 PHE A 53 18.860 -4.127 6.926 1.00 0.00 H new ATOM 0 HD2 PHE A 53 19.475 -0.967 4.136 1.00 0.00 H new ATOM 0 HE1 PHE A 53 19.279 -5.777 5.153 1.00 0.00 H new ATOM 0 HE2 PHE A 53 19.892 -2.614 2.362 1.00 0.00 H new ATOM 0 HZ PHE A 53 19.799 -5.022 2.867 1.00 0.00 H new ATOM 813 N PHE A 54 16.619 -2.833 8.371 1.00 0.00 N ATOM 814 CA PHE A 54 15.883 -4.040 8.729 1.00 0.00 C ATOM 815 C PHE A 54 14.378 -3.790 8.694 1.00 0.00 C ATOM 816 O PHE A 54 13.589 -4.713 8.492 1.00 0.00 O ATOM 817 CB PHE A 54 16.299 -4.521 10.121 1.00 0.00 C ATOM 818 CG PHE A 54 17.461 -5.473 10.103 1.00 0.00 C ATOM 819 CD1 PHE A 54 18.669 -5.101 9.537 1.00 0.00 C ATOM 820 CD2 PHE A 54 17.344 -6.740 10.653 1.00 0.00 C ATOM 821 CE1 PHE A 54 19.740 -5.975 9.519 1.00 0.00 C ATOM 822 CE2 PHE A 54 18.412 -7.617 10.639 1.00 0.00 C ATOM 823 CZ PHE A 54 19.611 -7.234 10.070 1.00 0.00 C ATOM 0 H PHE A 54 17.150 -2.420 9.137 1.00 0.00 H new ATOM 0 HA PHE A 54 16.122 -4.812 7.998 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.557 -3.657 10.733 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.448 -5.007 10.598 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.776 -4.117 9.105 1.00 0.00 H new ATOM 0 HD2 PHE A 54 16.408 -7.045 11.097 1.00 0.00 H new ATOM 0 HE1 PHE A 54 20.677 -5.673 9.074 1.00 0.00 H new ATOM 0 HE2 PHE A 54 18.309 -8.601 11.073 1.00 0.00 H new ATOM 0 HZ PHE A 54 20.446 -7.919 10.056 1.00 0.00 H new ATOM 833 N ASP A 55 13.988 -2.536 8.893 1.00 0.00 N ATOM 834 CA ASP A 55 12.578 -2.163 8.884 1.00 0.00 C ATOM 835 C ASP A 55 12.064 -2.016 7.455 1.00 0.00 C ATOM 836 O ASP A 55 11.581 -0.954 7.064 1.00 0.00 O ATOM 837 CB ASP A 55 12.369 -0.856 9.650 1.00 0.00 C ATOM 838 CG ASP A 55 12.323 -1.066 11.151 1.00 0.00 C ATOM 839 OD1 ASP A 55 11.365 -1.708 11.631 1.00 0.00 O ATOM 840 OD2 ASP A 55 13.244 -0.588 11.846 1.00 0.00 O ATOM 0 H ASP A 55 14.628 -1.760 9.063 1.00 0.00 H new ATOM 0 HA ASP A 55 12.015 -2.957 9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.175 -0.163 9.407 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.439 -0.391 9.322 1.00 0.00 H new ATOM 845 N PHE A 56 12.172 -3.090 6.680 1.00 0.00 N ATOM 846 CA PHE A 56 11.721 -3.081 5.293 1.00 0.00 C ATOM 847 C PHE A 56 10.278 -2.593 5.195 1.00 0.00 C ATOM 848 O PHE A 56 9.982 -1.642 4.472 1.00 0.00 O ATOM 849 CB PHE A 56 11.840 -4.480 4.686 1.00 0.00 C ATOM 850 CG PHE A 56 12.885 -5.333 5.347 1.00 0.00 C ATOM 851 CD1 PHE A 56 12.578 -6.079 6.474 1.00 0.00 C ATOM 852 CD2 PHE A 56 14.174 -5.389 4.843 1.00 0.00 C ATOM 853 CE1 PHE A 56 13.537 -6.866 7.085 1.00 0.00 C ATOM 854 CE2 PHE A 56 15.137 -6.173 5.449 1.00 0.00 C ATOM 855 CZ PHE A 56 14.818 -6.912 6.572 1.00 0.00 C ATOM 0 H PHE A 56 12.568 -3.978 6.989 1.00 0.00 H new ATOM 0 HA PHE A 56 12.358 -2.395 4.734 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.875 -4.982 4.757 1.00 0.00 H new ATOM 0 HB3 PHE A 56 12.075 -4.389 3.625 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.578 -6.045 6.880 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.429 -4.813 3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.284 -7.444 7.962 1.00 0.00 H new ATOM 0 HE2 PHE A 56 16.138 -6.208 5.045 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.569 -7.525 7.048 1.00 0.00 H new ATOM 865 N GLU A 57 9.385 -3.253 5.926 1.00 0.00 N ATOM 866 CA GLU A 57 7.974 -2.887 5.920 1.00 0.00 C ATOM 867 C GLU A 57 7.805 -1.370 5.923 1.00 0.00 C ATOM 868 O GLU A 57 7.020 -0.821 5.151 1.00 0.00 O ATOM 869 CB GLU A 57 7.262 -3.493 7.131 1.00 0.00 C ATOM 870 CG GLU A 57 7.604 -4.954 7.370 1.00 0.00 C ATOM 871 CD GLU A 57 6.731 -5.591 8.434 1.00 0.00 C ATOM 872 OE1 GLU A 57 6.985 -5.351 9.633 1.00 0.00 O ATOM 873 OE2 GLU A 57 5.795 -6.331 8.066 1.00 0.00 O ATOM 0 H GLU A 57 9.614 -4.043 6.529 1.00 0.00 H new ATOM 0 HA GLU A 57 7.526 -3.283 5.009 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.521 -2.918 8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.185 -3.399 6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.494 -5.506 6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.650 -5.035 7.667 1.00 0.00 H new ATOM 880 N GLY A 58 8.547 -0.700 6.798 1.00 0.00 N ATOM 881 CA GLY A 58 8.465 0.747 6.887 1.00 0.00 C ATOM 882 C GLY A 58 9.430 1.441 5.947 1.00 0.00 C ATOM 883 O GLY A 58 9.310 2.641 5.697 1.00 0.00 O ATOM 0 H GLY A 58 9.204 -1.133 7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.448 1.065 6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.673 1.057 7.911 1.00 0.00 H new ATOM 887 N LYS A 59 10.390 0.686 5.424 1.00 0.00 N ATOM 888 CA LYS A 59 11.381 1.235 4.506 1.00 0.00 C ATOM 889 C LYS A 59 10.750 1.561 3.156 1.00 0.00 C ATOM 890 O LYS A 59 10.689 2.723 2.754 1.00 0.00 O ATOM 891 CB LYS A 59 12.534 0.247 4.317 1.00 0.00 C ATOM 892 CG LYS A 59 13.761 0.862 3.666 1.00 0.00 C ATOM 893 CD LYS A 59 15.037 0.174 4.121 1.00 0.00 C ATOM 894 CE LYS A 59 15.160 -1.222 3.529 1.00 0.00 C ATOM 895 NZ LYS A 59 15.344 -1.183 2.051 1.00 0.00 N ATOM 0 H LYS A 59 10.503 -0.309 5.620 1.00 0.00 H new ATOM 0 HA LYS A 59 11.769 2.157 4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.814 -0.161 5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.190 -0.588 3.707 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.674 0.789 2.582 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.811 1.923 3.911 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.899 0.772 3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.049 0.111 5.209 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.004 -1.738 3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.266 -1.798 3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.690 -2.106 1.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.435 -0.970 1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.036 -0.446 1.807 1.00 0.00 H new ATOM 909 N GLN A 60 10.282 0.529 2.462 1.00 0.00 N ATOM 910 CA GLN A 60 9.655 0.707 1.157 1.00 0.00 C ATOM 911 C GLN A 60 8.702 1.897 1.170 1.00 0.00 C ATOM 912 O GLN A 60 8.786 2.782 0.319 1.00 0.00 O ATOM 913 CB GLN A 60 8.902 -0.562 0.753 1.00 0.00 C ATOM 914 CG GLN A 60 8.025 -1.127 1.858 1.00 0.00 C ATOM 915 CD GLN A 60 7.588 -2.553 1.584 1.00 0.00 C ATOM 916 OE1 GLN A 60 7.955 -3.477 2.310 1.00 0.00 O ATOM 917 NE2 GLN A 60 6.799 -2.739 0.532 1.00 0.00 N ATOM 0 H GLN A 60 10.325 -0.439 2.781 1.00 0.00 H new ATOM 0 HA GLN A 60 10.440 0.902 0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.282 -0.345 -0.117 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.623 -1.321 0.449 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.569 -1.093 2.802 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.143 -0.497 1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.519 -1.944 -0.043 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.473 -3.677 0.299 1.00 0.00 H new ATOM 926 N LYS A 61 7.794 1.911 2.140 1.00 0.00 N ATOM 927 CA LYS A 61 6.824 2.992 2.265 1.00 0.00 C ATOM 928 C LYS A 61 7.516 4.351 2.234 1.00 0.00 C ATOM 929 O LYS A 61 7.180 5.211 1.420 1.00 0.00 O ATOM 930 CB LYS A 61 6.027 2.843 3.563 1.00 0.00 C ATOM 931 CG LYS A 61 5.424 1.462 3.752 1.00 0.00 C ATOM 932 CD LYS A 61 4.586 1.387 5.017 1.00 0.00 C ATOM 933 CE LYS A 61 3.135 1.755 4.747 1.00 0.00 C ATOM 934 NZ LYS A 61 2.204 1.049 5.670 1.00 0.00 N ATOM 0 H LYS A 61 7.710 1.185 2.852 1.00 0.00 H new ATOM 0 HA LYS A 61 6.141 2.933 1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.680 3.064 4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.228 3.584 3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.805 1.213 2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.221 0.719 3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.636 0.379 5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.999 2.059 5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.007 2.832 4.856 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.883 1.506 3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.225 1.326 5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.308 0.021 5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.428 1.306 6.653 1.00 0.00 H new ATOM 948 N TRP A 62 8.484 4.536 3.124 1.00 0.00 N ATOM 949 CA TRP A 62 9.225 5.791 3.198 1.00 0.00 C ATOM 950 C TRP A 62 9.897 6.104 1.866 1.00 0.00 C ATOM 951 O TRP A 62 9.937 7.257 1.437 1.00 0.00 O ATOM 952 CB TRP A 62 10.273 5.724 4.309 1.00 0.00 C ATOM 953 CG TRP A 62 11.024 7.007 4.495 1.00 0.00 C ATOM 954 CD1 TRP A 62 10.678 8.049 5.308 1.00 0.00 C ATOM 955 CD2 TRP A 62 12.248 7.385 3.854 1.00 0.00 C ATOM 956 NE1 TRP A 62 11.612 9.052 5.211 1.00 0.00 N ATOM 957 CE2 TRP A 62 12.586 8.669 4.326 1.00 0.00 C ATOM 958 CE3 TRP A 62 13.091 6.764 2.930 1.00 0.00 C ATOM 959 CZ2 TRP A 62 13.730 9.340 3.902 1.00 0.00 C ATOM 960 CZ3 TRP A 62 14.226 7.431 2.510 1.00 0.00 C ATOM 961 CH2 TRP A 62 14.538 8.708 2.996 1.00 0.00 C ATOM 0 H TRP A 62 8.775 3.834 3.804 1.00 0.00 H new ATOM 0 HA TRP A 62 8.518 6.589 3.424 1.00 0.00 H new ATOM 0 HB2 TRP A 62 9.783 5.459 5.246 1.00 0.00 H new ATOM 0 HB3 TRP A 62 10.981 4.926 4.083 1.00 0.00 H new ATOM 0 HD1 TRP A 62 9.799 8.080 5.935 1.00 0.00 H new ATOM 0 HE1 TRP A 62 11.585 9.938 5.716 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.860 5.780 2.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 13.971 10.324 4.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.884 6.960 1.795 1.00 0.00 H new ATOM 0 HH2 TRP A 62 15.433 9.203 2.649 1.00 0.00 H new ATOM 972 N GLU A 63 10.424 5.071 1.216 1.00 0.00 N ATOM 973 CA GLU A 63 11.095 5.239 -0.068 1.00 0.00 C ATOM 974 C GLU A 63 10.128 5.770 -1.122 1.00 0.00 C ATOM 975 O GLU A 63 10.251 6.907 -1.577 1.00 0.00 O ATOM 976 CB GLU A 63 11.695 3.910 -0.533 1.00 0.00 C ATOM 977 CG GLU A 63 12.917 3.483 0.262 1.00 0.00 C ATOM 978 CD GLU A 63 13.829 2.559 -0.521 1.00 0.00 C ATOM 979 OE1 GLU A 63 13.944 2.740 -1.751 1.00 0.00 O ATOM 980 OE2 GLU A 63 14.427 1.653 0.097 1.00 0.00 O ATOM 0 H GLU A 63 10.399 4.110 1.557 1.00 0.00 H new ATOM 0 HA GLU A 63 11.897 5.965 0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.935 3.132 -0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.967 3.992 -1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.476 4.368 0.565 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.595 2.982 1.175 1.00 0.00 H new ATOM 987 N ALA A 64 9.166 4.937 -1.507 1.00 0.00 N ATOM 988 CA ALA A 64 8.177 5.322 -2.506 1.00 0.00 C ATOM 989 C ALA A 64 7.790 6.790 -2.358 1.00 0.00 C ATOM 990 O ALA A 64 7.815 7.548 -3.328 1.00 0.00 O ATOM 991 CB ALA A 64 6.945 4.436 -2.398 1.00 0.00 C ATOM 0 H ALA A 64 9.051 3.992 -1.142 1.00 0.00 H new ATOM 0 HA ALA A 64 8.622 5.188 -3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.215 4.735 -3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.229 3.396 -2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.507 4.541 -1.405 1.00 0.00 H new ATOM 997 N TRP A 65 7.432 7.182 -1.141 1.00 0.00 N ATOM 998 CA TRP A 65 7.039 8.560 -0.868 1.00 0.00 C ATOM 999 C TRP A 65 8.241 9.494 -0.943 1.00 0.00 C ATOM 1000 O TRP A 65 8.117 10.651 -1.347 1.00 0.00 O ATOM 1001 CB TRP A 65 6.383 8.661 0.510 1.00 0.00 C ATOM 1002 CG TRP A 65 6.144 10.073 0.952 1.00 0.00 C ATOM 1003 CD1 TRP A 65 5.826 11.137 0.158 1.00 0.00 C ATOM 1004 CD2 TRP A 65 6.204 10.573 2.292 1.00 0.00 C ATOM 1005 NE1 TRP A 65 5.686 12.270 0.923 1.00 0.00 N ATOM 1006 CE2 TRP A 65 5.911 11.950 2.236 1.00 0.00 C ATOM 1007 CE3 TRP A 65 6.474 9.992 3.534 1.00 0.00 C ATOM 1008 CZ2 TRP A 65 5.884 12.752 3.374 1.00 0.00 C ATOM 1009 CZ3 TRP A 65 6.447 10.790 4.662 1.00 0.00 C ATOM 1010 CH2 TRP A 65 6.153 12.157 4.577 1.00 0.00 C ATOM 0 H TRP A 65 7.406 6.566 -0.328 1.00 0.00 H new ATOM 0 HA TRP A 65 6.319 8.864 -1.628 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.433 8.128 0.492 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.015 8.160 1.243 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.703 11.095 -0.914 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.453 13.198 0.571 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.700 8.939 3.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.659 13.806 3.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.656 10.352 5.627 1.00 0.00 H new ATOM 0 HH2 TRP A 65 6.138 12.753 5.478 1.00 0.00 H new ATOM 1021 N LYS A 66 9.405 8.987 -0.551 1.00 0.00 N ATOM 1022 CA LYS A 66 10.631 9.775 -0.574 1.00 0.00 C ATOM 1023 C LYS A 66 10.980 10.196 -1.998 1.00 0.00 C ATOM 1024 O LYS A 66 11.314 11.353 -2.249 1.00 0.00 O ATOM 1025 CB LYS A 66 11.787 8.976 0.031 1.00 0.00 C ATOM 1026 CG LYS A 66 13.136 9.662 -0.102 1.00 0.00 C ATOM 1027 CD LYS A 66 13.236 10.877 0.805 1.00 0.00 C ATOM 1028 CE LYS A 66 14.415 11.760 0.426 1.00 0.00 C ATOM 1029 NZ LYS A 66 14.197 13.178 0.826 1.00 0.00 N ATOM 0 H LYS A 66 9.525 8.032 -0.213 1.00 0.00 H new ATOM 0 HA LYS A 66 10.468 10.673 0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.582 8.799 1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.836 8.000 -0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.930 8.957 0.144 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.290 9.966 -1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.313 11.454 0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.341 10.552 1.840 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.319 11.383 0.903 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.577 11.707 -0.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.023 13.747 0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.348 13.546 0.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.068 13.232 1.857 1.00 0.00 H new ATOM 1043 N ALA A 67 10.899 9.249 -2.927 1.00 0.00 N ATOM 1044 CA ALA A 67 11.203 9.522 -4.326 1.00 0.00 C ATOM 1045 C ALA A 67 10.411 10.722 -4.835 1.00 0.00 C ATOM 1046 O ALA A 67 10.798 11.365 -5.812 1.00 0.00 O ATOM 1047 CB ALA A 67 10.913 8.296 -5.179 1.00 0.00 C ATOM 0 H ALA A 67 10.625 8.285 -2.736 1.00 0.00 H new ATOM 0 HA ALA A 67 12.264 9.760 -4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.145 8.515 -6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.527 7.462 -4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.859 8.031 -5.089 1.00 0.00 H new ATOM 1053 N LEU A 68 9.300 11.018 -4.169 1.00 0.00 N ATOM 1054 CA LEU A 68 8.453 12.141 -4.555 1.00 0.00 C ATOM 1055 C LEU A 68 8.892 13.421 -3.851 1.00 0.00 C ATOM 1056 O LEU A 68 8.084 14.104 -3.223 1.00 0.00 O ATOM 1057 CB LEU A 68 6.990 11.839 -4.224 1.00 0.00 C ATOM 1058 CG LEU A 68 6.425 10.541 -4.803 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.985 10.341 -4.359 1.00 0.00 C ATOM 1060 CD2 LEU A 68 6.521 10.548 -6.321 1.00 0.00 C ATOM 0 H LEU A 68 8.965 10.496 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 68 8.553 12.287 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.883 11.807 -3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.379 12.668 -4.580 1.00 0.00 H new ATOM 0 HG LEU A 68 7.019 9.709 -4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.600 9.413 -4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.943 10.290 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.378 11.177 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.114 9.617 -6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.952 11.389 -6.718 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.565 10.643 -6.619 1.00 0.00 H new ATOM 1072 N GLY A 69 10.177 13.741 -3.963 1.00 0.00 N ATOM 1073 CA GLY A 69 10.701 14.940 -3.334 1.00 0.00 C ATOM 1074 C GLY A 69 9.832 16.155 -3.590 1.00 0.00 C ATOM 1075 O GLY A 69 9.130 16.624 -2.694 1.00 0.00 O ATOM 0 H GLY A 69 10.865 13.192 -4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.784 14.776 -2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.707 15.132 -3.706 1.00 0.00 H new ATOM 1079 N ASP A 70 9.879 16.668 -4.814 1.00 0.00 N ATOM 1080 CA ASP A 70 9.090 17.837 -5.185 1.00 0.00 C ATOM 1081 C ASP A 70 7.962 17.451 -6.136 1.00 0.00 C ATOM 1082 O ASP A 70 7.794 18.057 -7.195 1.00 0.00 O ATOM 1083 CB ASP A 70 9.983 18.895 -5.835 1.00 0.00 C ATOM 1084 CG ASP A 70 9.194 20.090 -6.335 1.00 0.00 C ATOM 1085 OD1 ASP A 70 8.755 20.904 -5.495 1.00 0.00 O ATOM 1086 OD2 ASP A 70 9.017 20.211 -7.565 1.00 0.00 O ATOM 0 H ASP A 70 10.456 16.293 -5.567 1.00 0.00 H new ATOM 0 HA ASP A 70 8.650 18.252 -4.278 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.728 19.231 -5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.525 18.447 -6.668 1.00 0.00 H new ATOM 1091 N SER A 71 7.190 16.440 -5.751 1.00 0.00 N ATOM 1092 CA SER A 71 6.080 15.970 -6.571 1.00 0.00 C ATOM 1093 C SER A 71 4.794 16.714 -6.224 1.00 0.00 C ATOM 1094 O SER A 71 4.438 16.847 -5.053 1.00 0.00 O ATOM 1095 CB SER A 71 5.878 14.465 -6.382 1.00 0.00 C ATOM 1096 OG SER A 71 7.109 13.769 -6.484 1.00 0.00 O ATOM 0 H SER A 71 7.313 15.930 -4.876 1.00 0.00 H new ATOM 0 HA SER A 71 6.324 16.168 -7.615 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.429 14.275 -5.407 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.182 14.091 -7.133 1.00 0.00 H new ATOM 0 HG SER A 71 7.120 13.243 -7.311 1.00 0.00 H new ATOM 1102 N SER A 72 4.102 17.199 -7.250 1.00 0.00 N ATOM 1103 CA SER A 72 2.858 17.934 -7.054 1.00 0.00 C ATOM 1104 C SER A 72 1.765 17.017 -6.515 1.00 0.00 C ATOM 1105 O SER A 72 1.792 15.800 -6.701 1.00 0.00 O ATOM 1106 CB SER A 72 2.404 18.569 -8.370 1.00 0.00 C ATOM 1107 OG SER A 72 2.965 19.860 -8.534 1.00 0.00 O ATOM 0 H SER A 72 4.382 17.096 -8.225 1.00 0.00 H new ATOM 0 HA SER A 72 3.041 18.721 -6.323 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.698 17.933 -9.205 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.316 18.637 -8.388 1.00 0.00 H new ATOM 0 HG SER A 72 2.661 20.243 -9.383 1.00 0.00 H new ATOM 1113 N PRO A 73 0.778 17.613 -5.829 1.00 0.00 N ATOM 1114 CA PRO A 73 -0.344 16.870 -5.249 1.00 0.00 C ATOM 1115 C PRO A 73 -1.285 16.317 -6.313 1.00 0.00 C ATOM 1116 O PRO A 73 -1.615 15.131 -6.308 1.00 0.00 O ATOM 1117 CB PRO A 73 -1.060 17.919 -4.395 1.00 0.00 C ATOM 1118 CG PRO A 73 -0.710 19.223 -5.024 1.00 0.00 C ATOM 1119 CD PRO A 73 0.682 19.059 -5.569 1.00 0.00 C ATOM 0 HA PRO A 73 -0.009 15.999 -4.686 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.138 17.758 -4.392 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.728 17.878 -3.357 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.413 19.474 -5.818 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.751 20.032 -4.294 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.829 19.641 -6.479 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.435 19.390 -4.854 1.00 0.00 H new ATOM 1127 N SER A 74 -1.715 17.183 -7.225 1.00 0.00 N ATOM 1128 CA SER A 74 -2.621 16.782 -8.294 1.00 0.00 C ATOM 1129 C SER A 74 -2.033 15.627 -9.100 1.00 0.00 C ATOM 1130 O SER A 74 -2.719 14.647 -9.391 1.00 0.00 O ATOM 1131 CB SER A 74 -2.912 17.966 -9.218 1.00 0.00 C ATOM 1132 OG SER A 74 -1.978 18.024 -10.282 1.00 0.00 O ATOM 0 H SER A 74 -1.450 18.168 -7.245 1.00 0.00 H new ATOM 0 HA SER A 74 -3.553 16.448 -7.839 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.921 17.878 -9.620 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.876 18.894 -8.647 1.00 0.00 H new ATOM 0 HG SER A 74 -2.187 18.788 -10.859 1.00 0.00 H new ATOM 1138 N GLN A 75 -0.759 15.751 -9.456 1.00 0.00 N ATOM 1139 CA GLN A 75 -0.079 14.718 -10.229 1.00 0.00 C ATOM 1140 C GLN A 75 -0.049 13.398 -9.466 1.00 0.00 C ATOM 1141 O GLN A 75 0.131 12.333 -10.056 1.00 0.00 O ATOM 1142 CB GLN A 75 1.347 15.159 -10.564 1.00 0.00 C ATOM 1143 CG GLN A 75 1.410 16.366 -11.486 1.00 0.00 C ATOM 1144 CD GLN A 75 1.331 15.986 -12.951 1.00 0.00 C ATOM 1145 OE1 GLN A 75 2.233 15.342 -13.487 1.00 0.00 O ATOM 1146 NE2 GLN A 75 0.248 16.384 -13.609 1.00 0.00 N ATOM 0 H GLN A 75 -0.177 16.555 -9.222 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.633 14.568 -11.155 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.873 15.392 -9.638 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.875 14.328 -11.031 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.592 17.045 -11.246 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.338 16.909 -11.305 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.476 16.916 -13.126 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.140 16.158 -14.598 1.00 0.00 H new ATOM 1155 N ALA A 76 -0.228 13.476 -8.151 1.00 0.00 N ATOM 1156 CA ALA A 76 -0.224 12.287 -7.308 1.00 0.00 C ATOM 1157 C ALA A 76 -1.632 11.726 -7.143 1.00 0.00 C ATOM 1158 O ALA A 76 -1.809 10.552 -6.818 1.00 0.00 O ATOM 1159 CB ALA A 76 0.382 12.606 -5.949 1.00 0.00 C ATOM 0 H ALA A 76 -0.378 14.350 -7.647 1.00 0.00 H new ATOM 0 HA ALA A 76 0.386 11.527 -7.797 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.379 11.709 -5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.407 12.953 -6.080 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.205 13.385 -5.463 1.00 0.00 H new ATOM 1165 N MET A 77 -2.632 12.573 -7.368 1.00 0.00 N ATOM 1166 CA MET A 77 -4.025 12.160 -7.245 1.00 0.00 C ATOM 1167 C MET A 77 -4.533 11.563 -8.553 1.00 0.00 C ATOM 1168 O MET A 77 -5.429 10.719 -8.554 1.00 0.00 O ATOM 1169 CB MET A 77 -4.898 13.349 -6.840 1.00 0.00 C ATOM 1170 CG MET A 77 -4.613 13.863 -5.438 1.00 0.00 C ATOM 1171 SD MET A 77 -5.920 14.936 -4.813 1.00 0.00 S ATOM 1172 CE MET A 77 -5.037 16.485 -4.648 1.00 0.00 C ATOM 0 H MET A 77 -2.503 13.549 -7.636 1.00 0.00 H new ATOM 0 HA MET A 77 -4.084 11.395 -6.471 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.747 14.160 -7.553 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.946 13.058 -6.905 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.489 13.016 -4.763 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.670 14.409 -5.440 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.714 17.251 -4.270 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.207 16.359 -3.952 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.652 16.790 -5.621 1.00 0.00 H new ATOM 1182 N GLN A 78 -3.956 12.007 -9.665 1.00 0.00 N ATOM 1183 CA GLN A 78 -4.352 11.517 -10.980 1.00 0.00 C ATOM 1184 C GLN A 78 -4.084 10.021 -11.107 1.00 0.00 C ATOM 1185 O GLN A 78 -4.958 9.257 -11.513 1.00 0.00 O ATOM 1186 CB GLN A 78 -3.604 12.276 -12.077 1.00 0.00 C ATOM 1187 CG GLN A 78 -3.975 13.748 -12.159 1.00 0.00 C ATOM 1188 CD GLN A 78 -3.838 14.307 -13.562 1.00 0.00 C ATOM 1189 OE1 GLN A 78 -2.870 14.019 -14.266 1.00 0.00 O ATOM 1190 NE2 GLN A 78 -4.810 15.112 -13.976 1.00 0.00 N ATOM 0 H GLN A 78 -3.213 12.705 -9.681 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.422 11.687 -11.096 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.532 12.189 -11.901 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.808 11.804 -13.038 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.002 13.879 -11.818 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.339 14.317 -11.481 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.594 15.324 -13.359 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.772 15.518 -14.911 1.00 0.00 H new ATOM 1199 N GLU A 79 -2.868 9.611 -10.756 1.00 0.00 N ATOM 1200 CA GLU A 79 -2.486 8.206 -10.833 1.00 0.00 C ATOM 1201 C GLU A 79 -3.089 7.414 -9.676 1.00 0.00 C ATOM 1202 O GLU A 79 -3.404 6.232 -9.817 1.00 0.00 O ATOM 1203 CB GLU A 79 -0.962 8.068 -10.819 1.00 0.00 C ATOM 1204 CG GLU A 79 -0.275 8.789 -11.968 1.00 0.00 C ATOM 1205 CD GLU A 79 -0.276 7.978 -13.249 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -1.344 7.443 -13.612 1.00 0.00 O ATOM 1207 OE2 GLU A 79 0.792 7.878 -13.889 1.00 0.00 O ATOM 0 H GLU A 79 -2.133 10.231 -10.416 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.873 7.802 -11.768 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.579 8.457 -9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.701 7.010 -10.857 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.775 9.741 -12.145 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.753 9.016 -11.687 1.00 0.00 H new ATOM 1214 N TYR A 80 -3.246 8.074 -8.534 1.00 0.00 N ATOM 1215 CA TYR A 80 -3.808 7.432 -7.352 1.00 0.00 C ATOM 1216 C TYR A 80 -5.247 6.991 -7.603 1.00 0.00 C ATOM 1217 O TYR A 80 -5.712 6.000 -7.040 1.00 0.00 O ATOM 1218 CB TYR A 80 -3.756 8.383 -6.155 1.00 0.00 C ATOM 1219 CG TYR A 80 -4.438 7.841 -4.920 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -5.824 7.815 -4.823 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -3.698 7.355 -3.850 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -6.452 7.320 -3.696 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -4.317 6.858 -2.719 1.00 0.00 C ATOM 1224 CZ TYR A 80 -5.694 6.843 -2.647 1.00 0.00 C ATOM 1225 OH TYR A 80 -6.315 6.350 -1.522 1.00 0.00 O ATOM 0 H TYR A 80 -2.992 9.053 -8.402 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.209 6.548 -7.132 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.714 8.599 -5.919 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.223 9.328 -6.432 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.421 8.188 -5.642 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.619 7.366 -3.903 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.530 7.307 -3.637 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.726 6.484 -1.896 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.638 6.054 -0.878 1.00 0.00 H new ATOM 1235 N ILE A 81 -5.946 7.735 -8.454 1.00 0.00 N ATOM 1236 CA ILE A 81 -7.331 7.421 -8.783 1.00 0.00 C ATOM 1237 C ILE A 81 -7.410 6.396 -9.910 1.00 0.00 C ATOM 1238 O ILE A 81 -7.881 5.277 -9.712 1.00 0.00 O ATOM 1239 CB ILE A 81 -8.111 8.683 -9.196 1.00 0.00 C ATOM 1240 CG1 ILE A 81 -8.600 9.435 -7.956 1.00 0.00 C ATOM 1241 CG2 ILE A 81 -9.283 8.311 -10.093 1.00 0.00 C ATOM 1242 CD1 ILE A 81 -8.798 10.917 -8.188 1.00 0.00 C ATOM 0 H ILE A 81 -5.576 8.559 -8.928 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.782 7.003 -7.883 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.444 9.338 -9.756 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.542 8.998 -7.624 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.881 9.295 -7.149 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.825 9.213 -10.377 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.912 7.814 -10.989 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.953 7.639 -9.556 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.145 11.386 -7.267 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.853 11.367 -8.491 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.539 11.067 -8.973 1.00 0.00 H new ATOM 1254 N ALA A 82 -6.945 6.788 -11.091 1.00 0.00 N ATOM 1255 CA ALA A 82 -6.959 5.902 -12.249 1.00 0.00 C ATOM 1256 C ALA A 82 -6.766 4.449 -11.831 1.00 0.00 C ATOM 1257 O ALA A 82 -7.604 3.593 -12.117 1.00 0.00 O ATOM 1258 CB ALA A 82 -5.883 6.315 -13.243 1.00 0.00 C ATOM 0 H ALA A 82 -6.554 7.713 -11.272 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.934 5.988 -12.729 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.905 5.645 -14.102 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.067 7.337 -13.575 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.905 6.259 -12.765 1.00 0.00 H new ATOM 1264 N VAL A 83 -5.656 4.175 -11.152 1.00 0.00 N ATOM 1265 CA VAL A 83 -5.353 2.824 -10.695 1.00 0.00 C ATOM 1266 C VAL A 83 -6.589 2.154 -10.106 1.00 0.00 C ATOM 1267 O VAL A 83 -7.031 1.110 -10.587 1.00 0.00 O ATOM 1268 CB VAL A 83 -4.232 2.828 -9.638 1.00 0.00 C ATOM 1269 CG1 VAL A 83 -4.474 3.920 -8.606 1.00 0.00 C ATOM 1270 CG2 VAL A 83 -4.126 1.466 -8.970 1.00 0.00 C ATOM 0 H VAL A 83 -4.952 4.871 -10.906 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.019 2.262 -11.567 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.286 3.037 -10.138 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.672 3.907 -7.868 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.496 4.891 -9.102 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.428 3.745 -8.108 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.329 1.487 -8.226 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.071 1.225 -8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.902 0.709 -9.721 1.00 0.00 H new ATOM 1280 N VAL A 84 -7.145 2.761 -9.062 1.00 0.00 N ATOM 1281 CA VAL A 84 -8.332 2.223 -8.408 1.00 0.00 C ATOM 1282 C VAL A 84 -9.420 1.899 -9.424 1.00 0.00 C ATOM 1283 O VAL A 84 -10.290 1.065 -9.175 1.00 0.00 O ATOM 1284 CB VAL A 84 -8.894 3.209 -7.367 1.00 0.00 C ATOM 1285 CG1 VAL A 84 -7.764 3.956 -6.673 1.00 0.00 C ATOM 1286 CG2 VAL A 84 -9.862 4.182 -8.023 1.00 0.00 C ATOM 0 H VAL A 84 -6.792 3.625 -8.651 1.00 0.00 H new ATOM 0 HA VAL A 84 -8.027 1.307 -7.902 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.439 2.641 -6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.181 4.648 -5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.113 3.243 -6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.188 4.513 -7.412 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.249 4.871 -7.273 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.343 4.745 -8.799 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.689 3.628 -8.468 1.00 0.00 H new ATOM 1296 N LYS A 85 -9.366 2.565 -10.573 1.00 0.00 N ATOM 1297 CA LYS A 85 -10.346 2.347 -11.631 1.00 0.00 C ATOM 1298 C LYS A 85 -10.065 1.045 -12.374 1.00 0.00 C ATOM 1299 O LYS A 85 -10.978 0.268 -12.654 1.00 0.00 O ATOM 1300 CB LYS A 85 -10.335 3.520 -12.614 1.00 0.00 C ATOM 1301 CG LYS A 85 -10.317 4.880 -11.938 1.00 0.00 C ATOM 1302 CD LYS A 85 -10.544 6.002 -12.936 1.00 0.00 C ATOM 1303 CE LYS A 85 -12.027 6.260 -13.157 1.00 0.00 C ATOM 1304 NZ LYS A 85 -12.586 5.394 -14.232 1.00 0.00 N ATOM 0 H LYS A 85 -8.654 3.260 -10.795 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.331 2.276 -11.170 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.462 3.433 -13.260 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.214 3.454 -13.255 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.088 4.915 -11.168 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.360 5.026 -11.437 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.065 6.913 -12.576 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.073 5.747 -13.885 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.569 6.082 -12.228 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.179 7.307 -13.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.313 5.919 -14.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.825 5.112 -14.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -13.011 4.545 -13.808 1.00 0.00 H new ATOM 1318 N LYS A 86 -8.796 0.811 -12.689 1.00 0.00 N ATOM 1319 CA LYS A 86 -8.393 -0.398 -13.397 1.00 0.00 C ATOM 1320 C LYS A 86 -8.782 -1.645 -12.609 1.00 0.00 C ATOM 1321 O LYS A 86 -9.059 -2.697 -13.188 1.00 0.00 O ATOM 1322 CB LYS A 86 -6.883 -0.389 -13.646 1.00 0.00 C ATOM 1323 CG LYS A 86 -6.452 0.580 -14.733 1.00 0.00 C ATOM 1324 CD LYS A 86 -5.996 1.906 -14.148 1.00 0.00 C ATOM 1325 CE LYS A 86 -6.326 3.067 -15.075 1.00 0.00 C ATOM 1326 NZ LYS A 86 -5.414 3.113 -16.251 1.00 0.00 N ATOM 0 H LYS A 86 -8.028 1.444 -12.465 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.913 -0.418 -14.355 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.372 -0.132 -12.718 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.562 -1.394 -13.919 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.642 0.140 -15.314 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.281 0.750 -15.420 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.475 2.063 -13.182 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.921 1.876 -13.969 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.357 2.977 -15.418 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.255 4.004 -14.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.671 3.917 -16.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.433 3.225 -15.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.500 2.229 -16.792 1.00 0.00 H new ATOM 1340 N LEU A 87 -8.802 -1.521 -11.287 1.00 0.00 N ATOM 1341 CA LEU A 87 -9.159 -2.638 -10.418 1.00 0.00 C ATOM 1342 C LEU A 87 -10.670 -2.848 -10.394 1.00 0.00 C ATOM 1343 O LEU A 87 -11.150 -3.979 -10.459 1.00 0.00 O ATOM 1344 CB LEU A 87 -8.644 -2.391 -8.999 1.00 0.00 C ATOM 1345 CG LEU A 87 -7.269 -1.732 -8.889 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -7.076 -1.127 -7.508 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -6.169 -2.740 -9.190 1.00 0.00 C ATOM 0 H LEU A 87 -8.575 -0.658 -10.792 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.692 -3.539 -10.815 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.367 -1.766 -8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.610 -3.346 -8.475 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.212 -0.930 -9.625 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.092 -0.663 -7.449 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.844 -0.374 -7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.154 -1.910 -6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.197 -2.254 -9.107 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.225 -3.563 -8.478 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.296 -3.126 -10.201 1.00 0.00 H new ATOM 1359 N ASP A 88 -11.413 -1.750 -10.303 1.00 0.00 N ATOM 1360 CA ASP A 88 -12.869 -1.814 -10.274 1.00 0.00 C ATOM 1361 C ASP A 88 -13.476 -0.820 -11.260 1.00 0.00 C ATOM 1362 O ASP A 88 -13.670 0.356 -10.954 1.00 0.00 O ATOM 1363 CB ASP A 88 -13.385 -1.530 -8.862 1.00 0.00 C ATOM 1364 CG ASP A 88 -14.882 -1.740 -8.740 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -15.391 -2.727 -9.310 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -15.543 -0.917 -8.073 1.00 0.00 O ATOM 0 H ASP A 88 -11.031 -0.806 -10.248 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.170 -2.820 -10.567 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.871 -2.179 -8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.141 -0.503 -8.589 1.00 0.00 H new ATOM 1371 N PRO A 89 -13.783 -1.303 -12.473 1.00 0.00 N ATOM 1372 CA PRO A 89 -14.372 -0.474 -13.529 1.00 0.00 C ATOM 1373 C PRO A 89 -15.809 -0.073 -13.217 1.00 0.00 C ATOM 1374 O PRO A 89 -16.337 0.879 -13.791 1.00 0.00 O ATOM 1375 CB PRO A 89 -14.325 -1.382 -14.760 1.00 0.00 C ATOM 1376 CG PRO A 89 -14.326 -2.767 -14.210 1.00 0.00 C ATOM 1377 CD PRO A 89 -13.579 -2.695 -12.907 1.00 0.00 C ATOM 0 HA PRO A 89 -13.836 0.467 -13.656 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -15.184 -1.213 -15.409 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -13.433 -1.194 -15.357 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -15.344 -3.126 -14.057 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.844 -3.461 -14.899 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.972 -3.405 -12.179 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.521 -2.924 -13.037 1.00 0.00 H new ATOM 1385 N GLY A 90 -16.439 -0.806 -12.304 1.00 0.00 N ATOM 1386 CA GLY A 90 -17.810 -0.510 -11.932 1.00 0.00 C ATOM 1387 C GLY A 90 -17.901 0.527 -10.829 1.00 0.00 C ATOM 1388 O GLY A 90 -18.827 0.501 -10.019 1.00 0.00 O ATOM 0 H GLY A 90 -16.024 -1.600 -11.815 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -18.352 -0.153 -12.808 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -18.301 -1.427 -11.606 1.00 0.00 H new ATOM 1392 N TRP A 91 -16.937 1.439 -10.798 1.00 0.00 N ATOM 1393 CA TRP A 91 -16.911 2.489 -9.785 1.00 0.00 C ATOM 1394 C TRP A 91 -17.475 3.793 -10.338 1.00 0.00 C ATOM 1395 O TRP A 91 -16.952 4.345 -11.305 1.00 0.00 O ATOM 1396 CB TRP A 91 -15.483 2.708 -9.284 1.00 0.00 C ATOM 1397 CG TRP A 91 -15.332 3.936 -8.438 1.00 0.00 C ATOM 1398 CD1 TRP A 91 -16.178 4.363 -7.454 1.00 0.00 C ATOM 1399 CD2 TRP A 91 -14.272 4.896 -8.502 1.00 0.00 C ATOM 1400 NE1 TRP A 91 -15.708 5.530 -6.904 1.00 0.00 N ATOM 1401 CE2 TRP A 91 -14.539 5.878 -7.529 1.00 0.00 C ATOM 1402 CE3 TRP A 91 -13.122 5.021 -9.286 1.00 0.00 C ATOM 1403 CZ2 TRP A 91 -13.699 6.968 -7.321 1.00 0.00 C ATOM 1404 CZ3 TRP A 91 -12.289 6.103 -9.079 1.00 0.00 C ATOM 1405 CH2 TRP A 91 -12.580 7.065 -8.103 1.00 0.00 C ATOM 0 H TRP A 91 -16.163 1.474 -11.462 1.00 0.00 H new ATOM 0 HA TRP A 91 -17.536 2.170 -8.951 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -15.170 1.838 -8.707 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -14.812 2.781 -10.140 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -17.083 3.857 -7.153 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -16.156 6.053 -6.152 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -12.889 4.284 -10.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -13.922 7.711 -6.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -11.398 6.209 -9.680 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -11.908 7.899 -7.965 1.00 0.00 H new ATOM 1416 N ASN A 92 -18.544 4.281 -9.717 1.00 0.00 N ATOM 1417 CA ASN A 92 -19.179 5.521 -10.149 1.00 0.00 C ATOM 1418 C ASN A 92 -19.246 6.526 -9.002 1.00 0.00 C ATOM 1419 O ASN A 92 -20.250 6.637 -8.299 1.00 0.00 O ATOM 1420 CB ASN A 92 -20.587 5.241 -10.679 1.00 0.00 C ATOM 1421 CG ASN A 92 -21.253 4.082 -9.963 1.00 0.00 C ATOM 1422 OD1 ASN A 92 -20.915 2.920 -10.190 1.00 0.00 O ATOM 1423 ND2 ASN A 92 -22.207 4.393 -9.093 1.00 0.00 N ATOM 0 H ASN A 92 -18.989 3.837 -8.913 1.00 0.00 H new ATOM 0 HA ASN A 92 -18.576 5.949 -10.950 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -21.200 6.135 -10.566 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -20.534 5.024 -11.746 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -22.691 3.655 -8.582 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -22.455 5.370 -8.936 1.00 0.00 H new ATOM 1430 N PRO A 93 -18.151 7.276 -8.809 1.00 0.00 N ATOM 1431 CA PRO A 93 -18.060 8.286 -7.750 1.00 0.00 C ATOM 1432 C PRO A 93 -18.958 9.489 -8.018 1.00 0.00 C ATOM 1433 O PRO A 93 -19.695 9.932 -7.138 1.00 0.00 O ATOM 1434 CB PRO A 93 -16.587 8.700 -7.780 1.00 0.00 C ATOM 1435 CG PRO A 93 -16.139 8.407 -9.170 1.00 0.00 C ATOM 1436 CD PRO A 93 -16.917 7.197 -9.609 1.00 0.00 C ATOM 0 HA PRO A 93 -18.387 7.897 -6.786 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.468 9.757 -7.540 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -16.003 8.140 -7.050 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.330 9.254 -9.829 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -15.067 8.214 -9.202 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.129 7.222 -10.678 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -16.370 6.275 -9.414 1.00 0.00 H new ATOM 1444 N GLN A 94 -18.890 10.012 -9.238 1.00 0.00 N ATOM 1445 CA GLN A 94 -19.697 11.165 -9.620 1.00 0.00 C ATOM 1446 C GLN A 94 -21.015 10.723 -10.247 1.00 0.00 C ATOM 1447 O GLN A 94 -21.030 10.100 -11.310 1.00 0.00 O ATOM 1448 CB GLN A 94 -18.925 12.052 -10.599 1.00 0.00 C ATOM 1449 CG GLN A 94 -19.720 13.251 -11.090 1.00 0.00 C ATOM 1450 CD GLN A 94 -18.852 14.285 -11.778 1.00 0.00 C ATOM 1451 OE1 GLN A 94 -18.378 15.232 -11.150 1.00 0.00 O ATOM 1452 NE2 GLN A 94 -18.637 14.109 -13.077 1.00 0.00 N ATOM 0 H GLN A 94 -18.285 9.656 -9.978 1.00 0.00 H new ATOM 0 HA GLN A 94 -19.918 11.737 -8.719 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.013 12.404 -10.116 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.620 11.453 -11.457 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -20.492 12.912 -11.781 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -20.230 13.714 -10.245 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -19.049 13.310 -13.559 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -18.060 14.773 -13.593 1.00 0.00 H new ATOM 1461 N ILE A 95 -22.119 11.048 -9.583 1.00 0.00 N ATOM 1462 CA ILE A 95 -23.441 10.684 -10.076 1.00 0.00 C ATOM 1463 C ILE A 95 -24.390 11.877 -10.034 1.00 0.00 C ATOM 1464 O ILE A 95 -24.602 12.497 -8.991 1.00 0.00 O ATOM 1465 CB ILE A 95 -24.049 9.530 -9.258 1.00 0.00 C ATOM 1466 CG1 ILE A 95 -23.154 8.291 -9.340 1.00 0.00 C ATOM 1467 CG2 ILE A 95 -25.451 9.210 -9.755 1.00 0.00 C ATOM 1468 CD1 ILE A 95 -23.040 7.719 -10.735 1.00 0.00 C ATOM 0 H ILE A 95 -22.124 11.563 -8.702 1.00 0.00 H new ATOM 0 HA ILE A 95 -23.314 10.359 -11.109 1.00 0.00 H new ATOM 0 HB ILE A 95 -24.116 9.839 -8.215 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -22.158 8.548 -8.979 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -23.547 7.524 -8.673 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -25.868 8.392 -9.167 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -26.084 10.091 -9.651 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -25.407 8.917 -10.804 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -22.391 6.844 -10.717 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -24.029 7.431 -11.092 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -22.618 8.470 -11.403 1.00 0.00 H new ATOM 1480 N PRO A 96 -24.978 12.207 -11.193 1.00 0.00 N ATOM 1481 CA PRO A 96 -25.917 13.326 -11.315 1.00 0.00 C ATOM 1482 C PRO A 96 -27.241 13.052 -10.609 1.00 0.00 C ATOM 1483 O PRO A 96 -27.819 13.943 -9.988 1.00 0.00 O ATOM 1484 CB PRO A 96 -26.132 13.446 -12.826 1.00 0.00 C ATOM 1485 CG PRO A 96 -25.846 12.085 -13.359 1.00 0.00 C ATOM 1486 CD PRO A 96 -24.772 11.512 -12.475 1.00 0.00 C ATOM 0 HA PRO A 96 -25.531 14.234 -10.852 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -27.151 13.756 -13.057 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -25.466 14.190 -13.263 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -26.741 11.462 -13.340 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -25.513 12.134 -14.396 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -24.874 10.432 -12.367 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -23.777 11.700 -12.878 1.00 0.00 H new ATOM 1494 N GLU A 97 -27.713 11.813 -10.708 1.00 0.00 N ATOM 1495 CA GLU A 97 -28.970 11.423 -10.078 1.00 0.00 C ATOM 1496 C GLU A 97 -28.965 11.774 -8.593 1.00 0.00 C ATOM 1497 O GLU A 97 -27.909 11.867 -7.968 1.00 0.00 O ATOM 1498 CB GLU A 97 -29.212 9.924 -10.259 1.00 0.00 C ATOM 1499 CG GLU A 97 -30.488 9.429 -9.597 1.00 0.00 C ATOM 1500 CD GLU A 97 -30.267 8.982 -8.165 1.00 0.00 C ATOM 1501 OE1 GLU A 97 -29.277 9.431 -7.551 1.00 0.00 O ATOM 1502 OE2 GLU A 97 -31.084 8.185 -7.660 1.00 0.00 O ATOM 0 H GLU A 97 -27.245 11.063 -11.217 1.00 0.00 H new ATOM 0 HA GLU A 97 -29.777 11.974 -10.561 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -29.254 9.697 -11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -28.364 9.375 -9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -31.234 10.224 -9.615 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -30.894 8.598 -10.174 1.00 0.00 H new ATOM 1509 N LYS A 98 -30.155 11.968 -8.034 1.00 0.00 N ATOM 1510 CA LYS A 98 -30.291 12.307 -6.622 1.00 0.00 C ATOM 1511 C LYS A 98 -31.094 11.242 -5.881 1.00 0.00 C ATOM 1512 O LYS A 98 -32.006 10.636 -6.442 1.00 0.00 O ATOM 1513 CB LYS A 98 -30.968 13.671 -6.467 1.00 0.00 C ATOM 1514 CG LYS A 98 -30.876 14.240 -5.062 1.00 0.00 C ATOM 1515 CD LYS A 98 -29.572 14.990 -4.848 1.00 0.00 C ATOM 1516 CE LYS A 98 -29.401 15.408 -3.396 1.00 0.00 C ATOM 1517 NZ LYS A 98 -29.128 14.241 -2.511 1.00 0.00 N ATOM 0 H LYS A 98 -31.039 11.896 -8.537 1.00 0.00 H new ATOM 0 HA LYS A 98 -29.293 12.352 -6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -30.514 14.374 -7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -32.018 13.580 -6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -31.716 14.911 -4.885 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -30.955 13.432 -4.335 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -28.735 14.359 -5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -29.550 15.873 -5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -28.582 16.123 -3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -30.302 15.918 -3.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -28.529 14.541 -1.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -30.026 13.865 -2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -28.638 13.501 -3.053 1.00 0.00 H new ATOM 1531 N LYS A 99 -30.749 11.021 -4.617 1.00 0.00 N ATOM 1532 CA LYS A 99 -31.438 10.031 -3.798 1.00 0.00 C ATOM 1533 C LYS A 99 -32.880 10.453 -3.534 1.00 0.00 C ATOM 1534 O LYS A 99 -33.149 11.607 -3.201 1.00 0.00 O ATOM 1535 CB LYS A 99 -30.702 9.836 -2.471 1.00 0.00 C ATOM 1536 CG LYS A 99 -30.465 11.129 -1.710 1.00 0.00 C ATOM 1537 CD LYS A 99 -30.023 10.862 -0.281 1.00 0.00 C ATOM 1538 CE LYS A 99 -28.510 10.746 -0.178 1.00 0.00 C ATOM 1539 NZ LYS A 99 -28.041 9.357 -0.441 1.00 0.00 N ATOM 0 H LYS A 99 -29.996 11.514 -4.137 1.00 0.00 H new ATOM 0 HA LYS A 99 -31.448 9.087 -4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -31.277 9.155 -1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -29.742 9.357 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -29.706 11.720 -2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -31.380 11.722 -1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -30.372 11.667 0.365 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -30.485 9.942 0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -28.044 11.427 -0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -28.189 11.056 0.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -27.118 9.210 0.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -28.729 8.679 -0.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -27.948 9.210 -1.466 1.00 0.00 H new ATOM 1553 N GLY A 100 -33.805 9.510 -3.684 1.00 0.00 N ATOM 1554 CA GLY A 100 -35.208 9.804 -3.457 1.00 0.00 C ATOM 1555 C GLY A 100 -35.919 10.250 -4.719 1.00 0.00 C ATOM 1556 O GLY A 100 -35.920 9.540 -5.724 1.00 0.00 O ATOM 0 H GLY A 100 -33.608 8.548 -3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -35.702 8.917 -3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -35.295 10.584 -2.700 1.00 0.00 H new ATOM 1560 N LYS A 101 -36.527 11.431 -4.667 1.00 0.00 N ATOM 1561 CA LYS A 101 -37.246 11.972 -5.814 1.00 0.00 C ATOM 1562 C LYS A 101 -37.685 13.410 -5.552 1.00 0.00 C ATOM 1563 O LYS A 101 -38.530 13.663 -4.695 1.00 0.00 O ATOM 1564 CB LYS A 101 -38.466 11.106 -6.133 1.00 0.00 C ATOM 1565 CG LYS A 101 -39.127 11.450 -7.457 1.00 0.00 C ATOM 1566 CD LYS A 101 -40.493 10.796 -7.584 1.00 0.00 C ATOM 1567 CE LYS A 101 -41.216 11.256 -8.841 1.00 0.00 C ATOM 1568 NZ LYS A 101 -41.877 12.577 -8.648 1.00 0.00 N ATOM 0 H LYS A 101 -36.536 12.031 -3.842 1.00 0.00 H new ATOM 0 HA LYS A 101 -36.571 11.966 -6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -38.164 10.059 -6.149 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -39.198 11.215 -5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -39.231 12.532 -7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -38.489 11.125 -8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -40.378 9.712 -7.605 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -41.095 11.036 -6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -40.506 11.322 -9.665 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -41.963 10.514 -9.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -42.359 12.856 -9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -42.573 12.508 -7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -41.161 13.291 -8.404 1.00 0.00 H new ATOM 1582 N GLU A 102 -37.105 14.346 -6.297 1.00 0.00 N ATOM 1583 CA GLU A 102 -37.438 15.757 -6.144 1.00 0.00 C ATOM 1584 C GLU A 102 -38.432 16.201 -7.214 1.00 0.00 C ATOM 1585 O GLU A 102 -38.664 15.492 -8.193 1.00 0.00 O ATOM 1586 CB GLU A 102 -36.172 16.614 -6.223 1.00 0.00 C ATOM 1587 CG GLU A 102 -35.461 16.528 -7.563 1.00 0.00 C ATOM 1588 CD GLU A 102 -34.261 17.451 -7.646 1.00 0.00 C ATOM 1589 OE1 GLU A 102 -33.259 17.186 -6.949 1.00 0.00 O ATOM 1590 OE2 GLU A 102 -34.324 18.439 -8.408 1.00 0.00 O ATOM 0 H GLU A 102 -36.403 14.153 -7.011 1.00 0.00 H new ATOM 0 HA GLU A 102 -37.899 15.891 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -36.434 17.654 -6.027 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -35.484 16.305 -5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -35.137 15.501 -7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -36.162 16.777 -8.359 1.00 0.00 H new ATOM 1597 N ALA A 103 -39.017 17.378 -7.018 1.00 0.00 N ATOM 1598 CA ALA A 103 -39.985 17.917 -7.965 1.00 0.00 C ATOM 1599 C ALA A 103 -39.287 18.633 -9.115 1.00 0.00 C ATOM 1600 O ALA A 103 -39.716 19.705 -9.544 1.00 0.00 O ATOM 1601 CB ALA A 103 -40.946 18.861 -7.257 1.00 0.00 C ATOM 0 H ALA A 103 -38.837 17.976 -6.212 1.00 0.00 H new ATOM 0 HA ALA A 103 -40.552 17.084 -8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -41.664 19.256 -7.976 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -41.477 18.320 -6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -40.386 19.684 -6.813 1.00 0.00 H new ATOM 1607 N SER A 104 -38.209 18.035 -9.612 1.00 0.00 N ATOM 1608 CA SER A 104 -37.448 18.619 -10.710 1.00 0.00 C ATOM 1609 C SER A 104 -38.380 19.243 -11.745 1.00 0.00 C ATOM 1610 O SER A 104 -38.437 20.463 -11.889 1.00 0.00 O ATOM 1611 CB SER A 104 -36.571 17.555 -11.373 1.00 0.00 C ATOM 1612 OG SER A 104 -35.470 18.146 -12.042 1.00 0.00 O ATOM 0 H SER A 104 -37.843 17.146 -9.271 1.00 0.00 H new ATOM 0 HA SER A 104 -36.810 19.403 -10.301 1.00 0.00 H new ATOM 0 HB2 SER A 104 -36.210 16.856 -10.619 1.00 0.00 H new ATOM 0 HB3 SER A 104 -37.166 16.980 -12.083 1.00 0.00 H new ATOM 0 HG SER A 104 -34.924 17.445 -12.456 1.00 0.00 H new ATOM 1618 N GLY A 105 -39.109 18.394 -12.464 1.00 0.00 N ATOM 1619 CA GLY A 105 -40.028 18.880 -13.476 1.00 0.00 C ATOM 1620 C GLY A 105 -40.252 17.873 -14.587 1.00 0.00 C ATOM 1621 O GLY A 105 -40.055 16.670 -14.412 1.00 0.00 O ATOM 0 H GLY A 105 -39.079 17.379 -12.363 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -40.983 19.120 -13.010 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -39.639 19.805 -13.901 1.00 0.00 H new ATOM 1625 N PRO A 106 -40.675 18.365 -15.761 1.00 0.00 N ATOM 1626 CA PRO A 106 -40.936 17.516 -16.927 1.00 0.00 C ATOM 1627 C PRO A 106 -39.657 16.935 -17.520 1.00 0.00 C ATOM 1628 O PRO A 106 -39.700 16.162 -18.476 1.00 0.00 O ATOM 1629 CB PRO A 106 -41.600 18.472 -17.920 1.00 0.00 C ATOM 1630 CG PRO A 106 -41.107 19.823 -17.533 1.00 0.00 C ATOM 1631 CD PRO A 106 -40.931 19.788 -16.040 1.00 0.00 C ATOM 0 HA PRO A 106 -41.549 16.651 -16.672 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -41.326 18.230 -18.947 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -42.687 18.415 -17.858 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -40.165 20.052 -18.032 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -41.818 20.596 -17.824 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -40.101 20.416 -15.718 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -41.821 20.146 -15.522 1.00 0.00 H new ATOM 1639 N SER A 107 -38.519 17.314 -16.945 1.00 0.00 N ATOM 1640 CA SER A 107 -37.227 16.833 -17.419 1.00 0.00 C ATOM 1641 C SER A 107 -36.787 15.598 -16.639 1.00 0.00 C ATOM 1642 O SER A 107 -35.676 15.548 -16.110 1.00 0.00 O ATOM 1643 CB SER A 107 -36.172 17.934 -17.292 1.00 0.00 C ATOM 1644 OG SER A 107 -35.750 18.083 -15.948 1.00 0.00 O ATOM 0 H SER A 107 -38.466 17.952 -16.151 1.00 0.00 H new ATOM 0 HA SER A 107 -37.332 16.559 -18.469 1.00 0.00 H new ATOM 0 HB2 SER A 107 -35.315 17.695 -17.921 1.00 0.00 H new ATOM 0 HB3 SER A 107 -36.581 18.877 -17.655 1.00 0.00 H new ATOM 0 HG SER A 107 -35.315 17.258 -15.648 1.00 0.00 H new ATOM 1650 N SER A 108 -37.666 14.604 -16.571 1.00 0.00 N ATOM 1651 CA SER A 108 -37.371 13.370 -15.852 1.00 0.00 C ATOM 1652 C SER A 108 -37.556 12.156 -16.758 1.00 0.00 C ATOM 1653 O SER A 108 -36.614 11.404 -17.007 1.00 0.00 O ATOM 1654 CB SER A 108 -38.271 13.244 -14.622 1.00 0.00 C ATOM 1655 OG SER A 108 -37.857 12.171 -13.795 1.00 0.00 O ATOM 0 H SER A 108 -38.589 14.629 -17.005 1.00 0.00 H new ATOM 0 HA SER A 108 -36.330 13.406 -15.530 1.00 0.00 H new ATOM 0 HB2 SER A 108 -38.249 14.174 -14.054 1.00 0.00 H new ATOM 0 HB3 SER A 108 -39.303 13.087 -14.937 1.00 0.00 H new ATOM 0 HG SER A 108 -38.447 12.113 -13.015 1.00 0.00 H new ATOM 1661 N GLY A 109 -38.778 11.972 -17.248 1.00 0.00 N ATOM 1662 CA GLY A 109 -39.065 10.848 -18.121 1.00 0.00 C ATOM 1663 C GLY A 109 -40.350 11.036 -18.904 1.00 0.00 C ATOM 1664 O GLY A 109 -41.039 12.044 -18.746 1.00 0.00 O ATOM 0 H GLY A 109 -39.574 12.580 -17.056 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -38.236 10.711 -18.816 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -39.136 9.938 -17.525 1.00 0.00 H new TER 1668 GLY A 109