USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 665 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 51 TYR OH : rot 180:sc= 0.0159 USER MOD Set 1.2: A 57 LYS NZ :NH3+ -136:sc= 0.346 (180deg=0.0722) USER MOD Set 1.3: A 61 TYR OH : rot 165:sc= -1.36! USER MOD Set 2.1: A 33 CYS SG : rot 180:sc= -0.9 USER MOD Set 2.2: A 38 MET CE :methyl -130:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -30:sc= 0.531 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -66:sc= 0.429 USER MOD Single : A 23 CYS SG : rot 180:sc= -0.935 USER MOD Single : A 27 THR OG1 : rot 143:sc= 0.0229 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 160:sc= -0.401 USER MOD Single : A 45 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.14) USER MOD Single : A 46 GLN : amide:sc= -0.427 K(o=-0.43,f=-2.1) USER MOD Single : A 49 THR OG1 : rot 77:sc= 0.867 USER MOD Single : A 53 LYS NZ :NH3+ -113:sc= 0.163 (180deg=-1.06!) USER MOD Single : A 60 ASN : amide:sc= -0.0943 K(o=-0.094,f=-1.8!) USER MOD Single : A 64 GLN : amide:sc= -1.68 K(o=-1.7,f=-3) USER MOD Single : A 66 HIS : no HD1:sc= -0.0902 X(o=-0.09,f=0) USER MOD Single : A 70 HIS : no HE2:sc= -2.83 K(o=-2.8,f=-7.2!) USER MOD Single : A 83 CYS SG : rot 48:sc= 0.0283 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -14.414 8.825 2.457 1.00 0.00 N ATOM 2 CA SER A 16 -13.870 7.639 3.107 1.00 0.00 C ATOM 3 C SER A 16 -12.413 7.858 3.506 1.00 0.00 C ATOM 4 O SER A 16 -11.599 6.936 3.447 1.00 0.00 O ATOM 5 CB SER A 16 -13.981 6.428 2.181 1.00 0.00 C ATOM 6 OG SER A 16 -13.898 6.814 0.822 1.00 0.00 O ATOM 0 HA SER A 16 -14.451 7.451 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.186 5.718 2.409 1.00 0.00 H new ATOM 0 HB3 SER A 16 -14.927 5.916 2.359 1.00 0.00 H new ATOM 0 HG SER A 16 -14.252 7.722 0.718 1.00 0.00 H new ATOM 12 N GLU A 17 -12.092 9.082 3.912 1.00 0.00 N ATOM 13 CA GLU A 17 -10.732 9.421 4.321 1.00 0.00 C ATOM 14 C GLU A 17 -9.743 9.161 3.190 1.00 0.00 C ATOM 15 O GLU A 17 -10.135 8.797 2.080 1.00 0.00 O ATOM 16 CB GLU A 17 -10.337 8.613 5.559 1.00 0.00 C ATOM 17 CG GLU A 17 -11.229 8.864 6.762 1.00 0.00 C ATOM 18 CD GLU A 17 -12.151 7.698 7.060 1.00 0.00 C ATOM 19 OE1 GLU A 17 -12.871 7.260 6.139 1.00 0.00 O ATOM 20 OE2 GLU A 17 -12.153 7.223 8.216 1.00 0.00 O ATOM 0 H GLU A 17 -12.754 9.856 3.967 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.704 10.483 4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.364 7.551 5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.307 8.852 5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.607 9.063 7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.826 9.759 6.586 1.00 0.00 H new ATOM 27 N PHE A 18 -8.458 9.349 3.477 1.00 0.00 N ATOM 28 CA PHE A 18 -7.414 9.133 2.481 1.00 0.00 C ATOM 29 C PHE A 18 -7.428 7.692 1.986 1.00 0.00 C ATOM 30 O PHE A 18 -7.782 6.774 2.728 1.00 0.00 O ATOM 31 CB PHE A 18 -6.041 9.465 3.070 1.00 0.00 C ATOM 32 CG PHE A 18 -5.142 10.209 2.124 1.00 0.00 C ATOM 33 CD1 PHE A 18 -4.527 9.553 1.068 1.00 0.00 C ATOM 34 CD2 PHE A 18 -4.906 11.564 2.293 1.00 0.00 C ATOM 35 CE1 PHE A 18 -3.697 10.237 0.199 1.00 0.00 C ATOM 36 CE2 PHE A 18 -4.078 12.251 1.427 1.00 0.00 C ATOM 37 CZ PHE A 18 -3.473 11.587 0.380 1.00 0.00 C ATOM 0 H PHE A 18 -8.115 9.650 4.389 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.610 9.793 1.636 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.177 10.061 3.972 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.551 8.539 3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.698 8.497 0.923 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.375 12.089 3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.225 9.716 -0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.904 13.307 1.569 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.825 12.123 -0.297 1.00 0.00 H new ATOM 47 N LYS A 19 -7.041 7.497 0.731 1.00 0.00 N ATOM 48 CA LYS A 19 -7.008 6.165 0.143 1.00 0.00 C ATOM 49 C LYS A 19 -5.981 6.093 -0.982 1.00 0.00 C ATOM 50 O LYS A 19 -6.072 6.824 -1.967 1.00 0.00 O ATOM 51 CB LYS A 19 -8.392 5.785 -0.388 1.00 0.00 C ATOM 52 CG LYS A 19 -9.238 5.017 0.615 1.00 0.00 C ATOM 53 CD LYS A 19 -10.037 3.911 -0.058 1.00 0.00 C ATOM 54 CE LYS A 19 -10.796 3.071 0.956 1.00 0.00 C ATOM 55 NZ LYS A 19 -10.476 1.623 0.825 1.00 0.00 N ATOM 0 H LYS A 19 -6.746 8.244 0.102 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.718 5.458 0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.922 6.692 -0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.274 5.182 -1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.594 4.587 1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.918 5.703 1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.740 4.349 -0.767 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.364 3.272 -0.630 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.551 3.408 1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.867 3.220 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.013 1.083 1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.733 1.295 -0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.458 1.477 0.978 1.00 0.00 H new ATOM 69 N VAL A 20 -5.006 5.204 -0.826 1.00 0.00 N ATOM 70 CA VAL A 20 -3.963 5.032 -1.829 1.00 0.00 C ATOM 71 C VAL A 20 -3.614 3.561 -2.009 1.00 0.00 C ATOM 72 O VAL A 20 -3.598 2.793 -1.048 1.00 0.00 O ATOM 73 CB VAL A 20 -2.688 5.810 -1.453 1.00 0.00 C ATOM 74 CG1 VAL A 20 -2.879 7.297 -1.688 1.00 0.00 C ATOM 75 CG2 VAL A 20 -2.303 5.536 -0.006 1.00 0.00 C ATOM 0 H VAL A 20 -4.917 4.592 -0.015 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.356 5.427 -2.766 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.875 5.468 -2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.967 7.828 -1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.102 7.473 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.706 7.659 -1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.400 6.094 0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.114 5.848 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.118 4.470 0.126 1.00 0.00 H new ATOM 85 N THR A 21 -3.335 3.174 -3.249 1.00 0.00 N ATOM 86 CA THR A 21 -2.987 1.792 -3.556 1.00 0.00 C ATOM 87 C THR A 21 -1.500 1.663 -3.873 1.00 0.00 C ATOM 88 O THR A 21 -1.005 2.261 -4.827 1.00 0.00 O ATOM 89 CB THR A 21 -3.815 1.285 -4.736 1.00 0.00 C ATOM 90 OG1 THR A 21 -5.145 1.772 -4.660 1.00 0.00 O ATOM 91 CG2 THR A 21 -3.884 -0.224 -4.816 1.00 0.00 C ATOM 0 H THR A 21 -3.343 3.797 -4.057 1.00 0.00 H new ATOM 0 HA THR A 21 -3.208 1.185 -2.678 1.00 0.00 H new ATOM 0 HB THR A 21 -3.307 1.656 -5.626 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.591 1.385 -3.878 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.487 -0.516 -5.676 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.878 -0.629 -4.924 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.337 -0.616 -3.906 1.00 0.00 H new ATOM 99 N VAL A 22 -0.796 0.877 -3.066 1.00 0.00 N ATOM 100 CA VAL A 22 0.632 0.667 -3.262 1.00 0.00 C ATOM 101 C VAL A 22 0.892 -0.632 -4.016 1.00 0.00 C ATOM 102 O VAL A 22 0.697 -1.722 -3.481 1.00 0.00 O ATOM 103 CB VAL A 22 1.386 0.627 -1.919 1.00 0.00 C ATOM 104 CG1 VAL A 22 2.890 0.610 -2.149 1.00 0.00 C ATOM 105 CG2 VAL A 22 0.987 1.807 -1.047 1.00 0.00 C ATOM 0 H VAL A 22 -1.191 0.375 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 22 0.999 1.509 -3.849 1.00 0.00 H new ATOM 0 HB VAL A 22 1.112 -0.290 -1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.405 0.582 -1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.159 -0.271 -2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.185 1.508 -2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.530 1.762 -0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.229 2.737 -1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.085 1.769 -0.852 1.00 0.00 H new ATOM 115 N CYS A 23 1.327 -0.506 -5.264 1.00 0.00 N ATOM 116 CA CYS A 23 1.609 -1.670 -6.094 1.00 0.00 C ATOM 117 C CYS A 23 3.052 -2.133 -5.917 1.00 0.00 C ATOM 118 O CYS A 23 3.975 -1.548 -6.481 1.00 0.00 O ATOM 119 CB CYS A 23 1.339 -1.347 -7.567 1.00 0.00 C ATOM 120 SG CYS A 23 0.002 -2.320 -8.301 1.00 0.00 S ATOM 0 H CYS A 23 1.492 0.390 -5.723 1.00 0.00 H new ATOM 0 HA CYS A 23 0.950 -2.478 -5.778 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.096 -0.288 -7.657 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.252 -1.514 -8.138 1.00 0.00 H new ATOM 0 HG CYS A 23 -0.153 -1.975 -9.545 1.00 0.00 H new ATOM 126 N PHE A 24 3.233 -3.191 -5.134 1.00 0.00 N ATOM 127 CA PHE A 24 4.561 -3.738 -4.887 1.00 0.00 C ATOM 128 C PHE A 24 4.947 -4.720 -5.987 1.00 0.00 C ATOM 129 O PHE A 24 4.480 -5.859 -6.004 1.00 0.00 O ATOM 130 CB PHE A 24 4.605 -4.437 -3.527 1.00 0.00 C ATOM 131 CG PHE A 24 4.618 -3.487 -2.366 1.00 0.00 C ATOM 132 CD1 PHE A 24 5.761 -2.767 -2.055 1.00 0.00 C ATOM 133 CD2 PHE A 24 3.487 -3.312 -1.585 1.00 0.00 C ATOM 134 CE1 PHE A 24 5.774 -1.892 -0.986 1.00 0.00 C ATOM 135 CE2 PHE A 24 3.496 -2.438 -0.515 1.00 0.00 C ATOM 136 CZ PHE A 24 4.640 -1.726 -0.216 1.00 0.00 C ATOM 0 H PHE A 24 2.477 -3.686 -4.660 1.00 0.00 H new ATOM 0 HA PHE A 24 5.275 -2.914 -4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.741 -5.096 -3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.493 -5.068 -3.480 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.651 -2.891 -2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.588 -3.865 -1.815 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.671 -1.338 -0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.608 -2.312 0.087 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.648 -1.040 0.618 1.00 0.00 H new ATOM 146 N GLY A 25 5.800 -4.272 -6.903 1.00 0.00 N ATOM 147 CA GLY A 25 6.228 -5.126 -7.995 1.00 0.00 C ATOM 148 C GLY A 25 5.066 -5.589 -8.854 1.00 0.00 C ATOM 149 O GLY A 25 4.771 -4.988 -9.885 1.00 0.00 O ATOM 0 H GLY A 25 6.202 -3.334 -6.908 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.944 -4.587 -8.616 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.747 -5.995 -7.591 1.00 0.00 H new ATOM 153 N ARG A 26 4.404 -6.657 -8.421 1.00 0.00 N ATOM 154 CA ARG A 26 3.265 -7.200 -9.152 1.00 0.00 C ATOM 155 C ARG A 26 2.107 -7.496 -8.204 1.00 0.00 C ATOM 156 O ARG A 26 1.325 -8.420 -8.430 1.00 0.00 O ATOM 157 CB ARG A 26 3.669 -8.472 -9.898 1.00 0.00 C ATOM 158 CG ARG A 26 3.035 -8.598 -11.274 1.00 0.00 C ATOM 159 CD ARG A 26 1.845 -9.544 -11.258 1.00 0.00 C ATOM 160 NE ARG A 26 2.051 -10.697 -12.132 1.00 0.00 N ATOM 161 CZ ARG A 26 1.901 -10.660 -13.454 1.00 0.00 C ATOM 162 NH1 ARG A 26 1.540 -9.535 -14.058 1.00 0.00 N ATOM 163 NH2 ARG A 26 2.109 -11.755 -14.175 1.00 0.00 N ATOM 0 H ARG A 26 4.637 -7.164 -7.567 1.00 0.00 H new ATOM 0 HA ARG A 26 2.938 -6.454 -9.876 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.754 -8.492 -10.004 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.391 -9.339 -9.298 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.714 -7.615 -11.619 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.778 -8.959 -11.986 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.669 -9.888 -10.239 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.950 -9.006 -11.572 1.00 0.00 H new ATOM 0 HE ARG A 26 2.326 -11.581 -11.704 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.376 -8.691 -13.509 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.427 -9.514 -15.071 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.383 -12.623 -13.716 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.994 -11.728 -15.188 1.00 0.00 H new ATOM 177 N THR A 27 2.004 -6.704 -7.140 1.00 0.00 N ATOM 178 CA THR A 27 0.942 -6.877 -6.153 1.00 0.00 C ATOM 179 C THR A 27 0.371 -5.527 -5.731 1.00 0.00 C ATOM 180 O THR A 27 1.099 -4.659 -5.249 1.00 0.00 O ATOM 181 CB THR A 27 1.475 -7.627 -4.931 1.00 0.00 C ATOM 182 OG1 THR A 27 1.998 -8.889 -5.305 1.00 0.00 O ATOM 183 CG2 THR A 27 0.425 -7.864 -3.866 1.00 0.00 C ATOM 0 H THR A 27 2.644 -5.935 -6.939 1.00 0.00 H new ATOM 0 HA THR A 27 0.143 -7.462 -6.608 1.00 0.00 H new ATOM 0 HB THR A 27 2.251 -6.984 -4.516 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.789 -9.089 -4.762 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.871 -8.400 -3.028 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.037 -6.907 -3.519 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.390 -8.456 -4.283 1.00 0.00 H new ATOM 191 N ARG A 28 -0.932 -5.354 -5.916 1.00 0.00 N ATOM 192 CA ARG A 28 -1.597 -4.108 -5.554 1.00 0.00 C ATOM 193 C ARG A 28 -2.243 -4.211 -4.176 1.00 0.00 C ATOM 194 O ARG A 28 -2.982 -5.155 -3.895 1.00 0.00 O ATOM 195 CB ARG A 28 -2.654 -3.745 -6.600 1.00 0.00 C ATOM 196 CG ARG A 28 -3.795 -4.746 -6.685 1.00 0.00 C ATOM 197 CD ARG A 28 -4.685 -4.474 -7.886 1.00 0.00 C ATOM 198 NE ARG A 28 -5.607 -5.578 -8.146 1.00 0.00 N ATOM 199 CZ ARG A 28 -6.597 -5.523 -9.034 1.00 0.00 C ATOM 200 NH1 ARG A 28 -6.797 -4.422 -9.749 1.00 0.00 N ATOM 201 NH2 ARG A 28 -7.389 -6.572 -9.208 1.00 0.00 N ATOM 0 H ARG A 28 -1.550 -6.061 -6.315 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.842 -3.322 -5.522 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.061 -2.761 -6.366 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.176 -3.668 -7.576 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.390 -5.756 -6.752 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.389 -4.700 -5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.253 -3.559 -7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.065 -4.305 -8.766 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.485 -6.441 -7.616 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.190 -3.612 -9.619 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.557 -4.386 -10.428 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.239 -7.420 -8.662 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.148 -6.531 -9.888 1.00 0.00 H new ATOM 215 N VAL A 29 -1.961 -3.233 -3.321 1.00 0.00 N ATOM 216 CA VAL A 29 -2.516 -3.211 -1.972 1.00 0.00 C ATOM 217 C VAL A 29 -3.095 -1.840 -1.637 1.00 0.00 C ATOM 218 O VAL A 29 -2.494 -0.811 -1.947 1.00 0.00 O ATOM 219 CB VAL A 29 -1.451 -3.578 -0.920 1.00 0.00 C ATOM 220 CG1 VAL A 29 -2.091 -3.746 0.449 1.00 0.00 C ATOM 221 CG2 VAL A 29 -0.709 -4.841 -1.330 1.00 0.00 C ATOM 0 H VAL A 29 -1.351 -2.445 -3.538 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.313 -3.954 -1.946 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.728 -2.764 -0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.325 -4.005 1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.572 -2.813 0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.836 -4.541 0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.039 -5.085 -0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.416 -5.666 -1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.217 -4.679 -2.289 1.00 0.00 H new ATOM 231 N ASP A 30 -4.264 -1.833 -1.003 1.00 0.00 N ATOM 232 CA ASP A 30 -4.921 -0.587 -0.627 1.00 0.00 C ATOM 233 C ASP A 30 -4.440 -0.105 0.738 1.00 0.00 C ATOM 234 O ASP A 30 -4.168 -0.908 1.630 1.00 0.00 O ATOM 235 CB ASP A 30 -6.440 -0.772 -0.608 1.00 0.00 C ATOM 236 CG ASP A 30 -7.089 -0.376 -1.919 1.00 0.00 C ATOM 237 OD1 ASP A 30 -6.834 0.753 -2.391 1.00 0.00 O ATOM 238 OD2 ASP A 30 -7.851 -1.194 -2.476 1.00 0.00 O ATOM 0 H ASP A 30 -4.775 -2.676 -0.739 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.662 0.167 -1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.673 -1.814 -0.391 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.865 -0.176 0.199 1.00 0.00 H new ATOM 243 N VAL A 31 -4.339 1.212 0.893 1.00 0.00 N ATOM 244 CA VAL A 31 -3.891 1.799 2.151 1.00 0.00 C ATOM 245 C VAL A 31 -4.660 3.082 2.464 1.00 0.00 C ATOM 246 O VAL A 31 -4.279 4.167 2.023 1.00 0.00 O ATOM 247 CB VAL A 31 -2.383 2.115 2.116 1.00 0.00 C ATOM 248 CG1 VAL A 31 -1.892 2.528 3.494 1.00 0.00 C ATOM 249 CG2 VAL A 31 -1.599 0.920 1.597 1.00 0.00 C ATOM 0 H VAL A 31 -4.561 1.891 0.165 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.084 1.063 2.931 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.221 2.950 1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.825 2.747 3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.432 3.417 3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.067 1.717 4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.536 1.162 1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.766 0.064 2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.932 0.676 0.588 1.00 0.00 H new ATOM 259 N PRO A 32 -5.761 2.973 3.229 1.00 0.00 N ATOM 260 CA PRO A 32 -6.584 4.123 3.598 1.00 0.00 C ATOM 261 C PRO A 32 -6.062 4.841 4.839 1.00 0.00 C ATOM 262 O PRO A 32 -5.939 4.243 5.907 1.00 0.00 O ATOM 263 CB PRO A 32 -7.936 3.479 3.882 1.00 0.00 C ATOM 264 CG PRO A 32 -7.600 2.134 4.431 1.00 0.00 C ATOM 265 CD PRO A 32 -6.296 1.718 3.792 1.00 0.00 C ATOM 0 HA PRO A 32 -6.603 4.889 2.823 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.513 4.066 4.596 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.536 3.399 2.976 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.505 2.172 5.516 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.388 1.416 4.205 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.613 1.285 4.523 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.452 0.967 3.017 1.00 0.00 H new ATOM 273 N CYS A 33 -5.760 6.128 4.693 1.00 0.00 N ATOM 274 CA CYS A 33 -5.259 6.924 5.806 1.00 0.00 C ATOM 275 C CYS A 33 -6.400 7.657 6.504 1.00 0.00 C ATOM 276 O CYS A 33 -7.145 8.410 5.876 1.00 0.00 O ATOM 277 CB CYS A 33 -4.211 7.928 5.316 1.00 0.00 C ATOM 278 SG CYS A 33 -2.713 7.982 6.327 1.00 0.00 S ATOM 0 H CYS A 33 -5.854 6.640 3.816 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.792 6.249 6.523 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.936 7.679 4.291 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.658 8.922 5.294 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.888 8.857 5.833 1.00 0.00 H new ATOM 284 N GLY A 34 -6.536 7.424 7.806 1.00 0.00 N ATOM 285 CA GLY A 34 -7.594 8.059 8.574 1.00 0.00 C ATOM 286 C GLY A 34 -7.639 9.564 8.392 1.00 0.00 C ATOM 287 O GLY A 34 -8.687 10.122 8.066 1.00 0.00 O ATOM 0 H GLY A 34 -5.931 6.805 8.345 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.554 7.634 8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.455 7.831 9.631 1.00 0.00 H new ATOM 291 N ASP A 35 -6.506 10.223 8.607 1.00 0.00 N ATOM 292 CA ASP A 35 -6.432 11.675 8.469 1.00 0.00 C ATOM 293 C ASP A 35 -5.659 12.068 7.215 1.00 0.00 C ATOM 294 O ASP A 35 -5.956 13.079 6.583 1.00 0.00 O ATOM 295 CB ASP A 35 -5.773 12.291 9.703 1.00 0.00 C ATOM 296 CG ASP A 35 -6.785 12.702 10.755 1.00 0.00 C ATOM 297 OD1 ASP A 35 -7.144 11.854 11.598 1.00 0.00 O ATOM 298 OD2 ASP A 35 -7.221 13.874 10.734 1.00 0.00 O ATOM 0 H ASP A 35 -5.629 9.778 8.877 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.449 12.057 8.378 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.075 11.574 10.135 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.190 13.162 9.404 1.00 0.00 H new ATOM 303 N GLY A 36 -4.660 11.263 6.866 1.00 0.00 N ATOM 304 CA GLY A 36 -3.856 11.549 5.693 1.00 0.00 C ATOM 305 C GLY A 36 -2.599 12.332 6.022 1.00 0.00 C ATOM 306 O GLY A 36 -1.866 12.747 5.125 1.00 0.00 O ATOM 0 H GLY A 36 -4.394 10.419 7.374 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.579 10.612 5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.453 12.113 4.977 1.00 0.00 H new ATOM 310 N ARG A 37 -2.344 12.531 7.315 1.00 0.00 N ATOM 311 CA ARG A 37 -1.166 13.265 7.758 1.00 0.00 C ATOM 312 C ARG A 37 -0.043 12.303 8.138 1.00 0.00 C ATOM 313 O ARG A 37 0.760 12.589 9.026 1.00 0.00 O ATOM 314 CB ARG A 37 -1.517 14.163 8.948 1.00 0.00 C ATOM 315 CG ARG A 37 -1.692 15.626 8.575 1.00 0.00 C ATOM 316 CD ARG A 37 -1.518 16.537 9.783 1.00 0.00 C ATOM 317 NE ARG A 37 -0.413 17.476 9.605 1.00 0.00 N ATOM 318 CZ ARG A 37 -0.501 18.598 8.894 1.00 0.00 C ATOM 319 NH1 ARG A 37 -1.637 18.920 8.287 1.00 0.00 N ATOM 320 NH2 ARG A 37 0.551 19.397 8.787 1.00 0.00 N ATOM 0 H ARG A 37 -2.939 12.193 8.071 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.821 13.890 6.934 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.437 13.801 9.407 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.732 14.080 9.700 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.966 15.896 7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.682 15.776 8.145 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.441 17.091 9.955 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.340 15.931 10.671 1.00 0.00 H new ATOM 0 HE ARG A 37 0.478 17.259 10.052 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.448 18.306 8.364 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.699 19.781 7.744 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.427 19.152 9.249 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.485 20.257 8.243 1.00 0.00 H new ATOM 334 N MET A 38 0.005 11.163 7.456 1.00 0.00 N ATOM 335 CA MET A 38 1.026 10.158 7.719 1.00 0.00 C ATOM 336 C MET A 38 2.178 10.292 6.732 1.00 0.00 C ATOM 337 O MET A 38 1.966 10.531 5.544 1.00 0.00 O ATOM 338 CB MET A 38 0.427 8.753 7.624 1.00 0.00 C ATOM 339 CG MET A 38 1.028 7.765 8.610 1.00 0.00 C ATOM 340 SD MET A 38 -0.224 6.838 9.520 1.00 0.00 S ATOM 341 CE MET A 38 -0.816 5.731 8.243 1.00 0.00 C ATOM 0 H MET A 38 -0.652 10.913 6.717 1.00 0.00 H new ATOM 0 HA MET A 38 1.407 10.317 8.728 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.648 8.814 7.794 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.569 8.375 6.612 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.671 7.068 8.073 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.661 8.303 9.316 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.905 5.769 8.205 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.408 6.036 7.279 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.496 4.713 8.467 1.00 0.00 H new ATOM 351 N LYS A 39 3.397 10.132 7.228 1.00 0.00 N ATOM 352 CA LYS A 39 4.579 10.232 6.384 1.00 0.00 C ATOM 353 C LYS A 39 4.629 9.069 5.400 1.00 0.00 C ATOM 354 O LYS A 39 4.230 7.949 5.725 1.00 0.00 O ATOM 355 CB LYS A 39 5.845 10.245 7.241 1.00 0.00 C ATOM 356 CG LYS A 39 5.771 11.201 8.422 1.00 0.00 C ATOM 357 CD LYS A 39 6.640 12.429 8.203 1.00 0.00 C ATOM 358 CE LYS A 39 6.151 13.612 9.024 1.00 0.00 C ATOM 359 NZ LYS A 39 7.280 14.396 9.594 1.00 0.00 N ATOM 0 H LYS A 39 3.593 9.933 8.209 1.00 0.00 H new ATOM 0 HA LYS A 39 4.523 11.165 5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.033 9.237 7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.695 10.519 6.615 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.737 11.509 8.577 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.090 10.686 9.328 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.671 12.199 8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.638 12.693 7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.539 14.260 8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.513 13.254 9.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.905 15.193 10.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.850 13.784 10.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.875 14.759 8.822 1.00 0.00 H new ATOM 373 N VAL A 40 5.121 9.335 4.194 1.00 0.00 N ATOM 374 CA VAL A 40 5.223 8.302 3.168 1.00 0.00 C ATOM 375 C VAL A 40 5.830 7.026 3.742 1.00 0.00 C ATOM 376 O VAL A 40 5.244 5.949 3.641 1.00 0.00 O ATOM 377 CB VAL A 40 6.070 8.761 1.956 1.00 0.00 C ATOM 378 CG1 VAL A 40 5.175 9.252 0.830 1.00 0.00 C ATOM 379 CG2 VAL A 40 7.070 9.835 2.356 1.00 0.00 C ATOM 0 H VAL A 40 5.454 10.254 3.903 1.00 0.00 H new ATOM 0 HA VAL A 40 4.207 8.107 2.824 1.00 0.00 H new ATOM 0 HB VAL A 40 6.633 7.899 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.790 9.570 -0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.514 8.445 0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.578 10.094 1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.649 10.136 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.537 10.699 2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.742 9.441 3.119 1.00 0.00 H new ATOM 389 N PHE A 41 7.002 7.160 4.354 1.00 0.00 N ATOM 390 CA PHE A 41 7.694 6.021 4.950 1.00 0.00 C ATOM 391 C PHE A 41 6.763 5.223 5.859 1.00 0.00 C ATOM 392 O PHE A 41 6.920 4.012 6.010 1.00 0.00 O ATOM 393 CB PHE A 41 8.913 6.493 5.745 1.00 0.00 C ATOM 394 CG PHE A 41 9.938 5.417 5.962 1.00 0.00 C ATOM 395 CD1 PHE A 41 10.520 4.770 4.884 1.00 0.00 C ATOM 396 CD2 PHE A 41 10.317 5.053 7.243 1.00 0.00 C ATOM 397 CE1 PHE A 41 11.462 3.779 5.081 1.00 0.00 C ATOM 398 CE2 PHE A 41 11.259 4.061 7.446 1.00 0.00 C ATOM 399 CZ PHE A 41 11.832 3.424 6.363 1.00 0.00 C ATOM 0 H PHE A 41 7.494 8.048 4.451 1.00 0.00 H new ATOM 0 HA PHE A 41 8.024 5.372 4.139 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.379 7.327 5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.582 6.870 6.713 1.00 0.00 H new ATOM 0 HD1 PHE A 41 10.234 5.043 3.879 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.872 5.549 8.093 1.00 0.00 H new ATOM 0 HE1 PHE A 41 11.909 3.282 4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 41 11.546 3.785 8.450 1.00 0.00 H new ATOM 0 HZ PHE A 41 12.568 2.649 6.519 1.00 0.00 H new ATOM 409 N SER A 42 5.790 5.904 6.459 1.00 0.00 N ATOM 410 CA SER A 42 4.840 5.243 7.342 1.00 0.00 C ATOM 411 C SER A 42 3.861 4.402 6.531 1.00 0.00 C ATOM 412 O SER A 42 3.520 3.281 6.914 1.00 0.00 O ATOM 413 CB SER A 42 4.082 6.274 8.180 1.00 0.00 C ATOM 414 OG SER A 42 3.202 5.643 9.094 1.00 0.00 O ATOM 0 H SER A 42 5.641 6.907 6.349 1.00 0.00 H new ATOM 0 HA SER A 42 5.392 4.587 8.015 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.792 6.897 8.725 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.516 6.935 7.524 1.00 0.00 H new ATOM 0 HG SER A 42 2.977 6.267 9.816 1.00 0.00 H new ATOM 420 N LEU A 43 3.420 4.944 5.400 1.00 0.00 N ATOM 421 CA LEU A 43 2.490 4.239 4.531 1.00 0.00 C ATOM 422 C LEU A 43 3.181 3.069 3.839 1.00 0.00 C ATOM 423 O LEU A 43 2.593 2.002 3.668 1.00 0.00 O ATOM 424 CB LEU A 43 1.900 5.190 3.489 1.00 0.00 C ATOM 425 CG LEU A 43 0.601 4.711 2.838 1.00 0.00 C ATOM 426 CD1 LEU A 43 -0.342 5.880 2.602 1.00 0.00 C ATOM 427 CD2 LEU A 43 0.895 3.988 1.532 1.00 0.00 C ATOM 0 H LEU A 43 3.693 5.868 5.066 1.00 0.00 H new ATOM 0 HA LEU A 43 1.680 3.850 5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.717 6.155 3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.642 5.354 2.707 1.00 0.00 H new ATOM 0 HG LEU A 43 0.114 4.011 3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.260 5.519 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.579 6.355 3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.136 6.606 1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.040 3.654 1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.405 4.666 0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.531 3.125 1.729 1.00 0.00 H new ATOM 439 N ILE A 44 4.436 3.277 3.450 1.00 0.00 N ATOM 440 CA ILE A 44 5.204 2.234 2.785 1.00 0.00 C ATOM 441 C ILE A 44 5.389 1.033 3.703 1.00 0.00 C ATOM 442 O ILE A 44 5.143 -0.106 3.306 1.00 0.00 O ATOM 443 CB ILE A 44 6.588 2.746 2.339 1.00 0.00 C ATOM 444 CG1 ILE A 44 6.441 4.058 1.562 1.00 0.00 C ATOM 445 CG2 ILE A 44 7.293 1.689 1.498 1.00 0.00 C ATOM 446 CD1 ILE A 44 7.684 4.466 0.794 1.00 0.00 C ATOM 0 H ILE A 44 4.939 4.154 3.584 1.00 0.00 H new ATOM 0 HA ILE A 44 4.640 1.936 1.901 1.00 0.00 H new ATOM 0 HB ILE A 44 7.197 2.940 3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.610 3.963 0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.181 4.854 2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.269 2.062 1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.421 0.781 2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.693 1.467 0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.497 5.404 0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 44 8.514 4.596 1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.935 3.691 0.070 1.00 0.00 H new ATOM 458 N GLN A 45 5.817 1.295 4.934 1.00 0.00 N ATOM 459 CA GLN A 45 6.028 0.235 5.911 1.00 0.00 C ATOM 460 C GLN A 45 4.736 -0.535 6.155 1.00 0.00 C ATOM 461 O GLN A 45 4.737 -1.763 6.231 1.00 0.00 O ATOM 462 CB GLN A 45 6.547 0.818 7.227 1.00 0.00 C ATOM 463 CG GLN A 45 8.064 0.852 7.319 1.00 0.00 C ATOM 464 CD GLN A 45 8.615 -0.200 8.262 1.00 0.00 C ATOM 465 OE1 GLN A 45 8.196 -0.300 9.415 1.00 0.00 O ATOM 466 NE2 GLN A 45 9.562 -0.994 7.773 1.00 0.00 N ATOM 0 H GLN A 45 6.024 2.233 5.278 1.00 0.00 H new ATOM 0 HA GLN A 45 6.773 -0.453 5.512 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.161 1.831 7.344 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.154 0.230 8.056 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.488 0.702 6.326 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.382 1.839 7.656 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.880 -0.876 6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.971 -1.721 8.360 1.00 0.00 H new ATOM 475 N GLN A 46 3.635 0.197 6.270 1.00 0.00 N ATOM 476 CA GLN A 46 2.332 -0.416 6.498 1.00 0.00 C ATOM 477 C GLN A 46 1.923 -1.269 5.300 1.00 0.00 C ATOM 478 O GLN A 46 1.427 -2.385 5.457 1.00 0.00 O ATOM 479 CB GLN A 46 1.277 0.658 6.763 1.00 0.00 C ATOM 480 CG GLN A 46 0.933 0.821 8.234 1.00 0.00 C ATOM 481 CD GLN A 46 0.253 -0.406 8.812 1.00 0.00 C ATOM 482 OE1 GLN A 46 -0.866 -0.747 8.429 1.00 0.00 O ATOM 483 NE2 GLN A 46 0.928 -1.074 9.740 1.00 0.00 N ATOM 0 H GLN A 46 3.618 1.215 6.209 1.00 0.00 H new ATOM 0 HA GLN A 46 2.405 -1.060 7.374 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.635 1.611 6.374 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.370 0.409 6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.844 1.026 8.796 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.281 1.686 8.358 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.853 -0.754 10.027 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.521 -1.907 10.166 1.00 0.00 H new ATOM 492 N ALA A 47 2.142 -0.734 4.102 1.00 0.00 N ATOM 493 CA ALA A 47 1.802 -1.444 2.877 1.00 0.00 C ATOM 494 C ALA A 47 2.682 -2.676 2.700 1.00 0.00 C ATOM 495 O ALA A 47 2.213 -3.733 2.276 1.00 0.00 O ATOM 496 CB ALA A 47 1.933 -0.518 1.677 1.00 0.00 C ATOM 0 H ALA A 47 2.553 0.188 3.956 1.00 0.00 H new ATOM 0 HA ALA A 47 0.767 -1.777 2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.676 -1.062 0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.258 0.330 1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.959 -0.157 1.606 1.00 0.00 H new ATOM 502 N VAL A 48 3.961 -2.537 3.038 1.00 0.00 N ATOM 503 CA VAL A 48 4.905 -3.642 2.925 1.00 0.00 C ATOM 504 C VAL A 48 4.462 -4.812 3.797 1.00 0.00 C ATOM 505 O VAL A 48 4.450 -5.962 3.357 1.00 0.00 O ATOM 506 CB VAL A 48 6.330 -3.211 3.330 1.00 0.00 C ATOM 507 CG1 VAL A 48 7.290 -4.392 3.280 1.00 0.00 C ATOM 508 CG2 VAL A 48 6.819 -2.083 2.431 1.00 0.00 C ATOM 0 H VAL A 48 4.366 -1.670 3.392 1.00 0.00 H new ATOM 0 HA VAL A 48 4.922 -3.952 1.880 1.00 0.00 H new ATOM 0 HB VAL A 48 6.298 -2.847 4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.288 -4.062 3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.950 -5.167 3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.320 -4.794 2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.826 -1.790 2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.832 -2.423 1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.150 -1.228 2.524 1.00 0.00 H new ATOM 518 N THR A 49 4.091 -4.509 5.037 1.00 0.00 N ATOM 519 CA THR A 49 3.635 -5.533 5.969 1.00 0.00 C ATOM 520 C THR A 49 2.407 -6.246 5.412 1.00 0.00 C ATOM 521 O THR A 49 2.302 -7.472 5.476 1.00 0.00 O ATOM 522 CB THR A 49 3.308 -4.912 7.327 1.00 0.00 C ATOM 523 OG1 THR A 49 4.386 -4.117 7.786 1.00 0.00 O ATOM 524 CG2 THR A 49 3.005 -5.937 8.398 1.00 0.00 C ATOM 0 H THR A 49 4.097 -3.563 5.419 1.00 0.00 H new ATOM 0 HA THR A 49 4.436 -6.260 6.101 1.00 0.00 H new ATOM 0 HB THR A 49 2.415 -4.310 7.161 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.391 -3.263 7.305 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.782 -5.428 9.336 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.145 -6.535 8.096 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.869 -6.587 8.535 1.00 0.00 H new ATOM 532 N ARG A 50 1.481 -5.466 4.859 1.00 0.00 N ATOM 533 CA ARG A 50 0.264 -6.017 4.279 1.00 0.00 C ATOM 534 C ARG A 50 0.592 -6.899 3.081 1.00 0.00 C ATOM 535 O ARG A 50 -0.069 -7.908 2.839 1.00 0.00 O ATOM 536 CB ARG A 50 -0.682 -4.891 3.859 1.00 0.00 C ATOM 537 CG ARG A 50 -1.190 -4.054 5.023 1.00 0.00 C ATOM 538 CD ARG A 50 -2.708 -4.056 5.093 1.00 0.00 C ATOM 539 NE ARG A 50 -3.194 -4.071 6.471 1.00 0.00 N ATOM 540 CZ ARG A 50 -3.228 -2.996 7.256 1.00 0.00 C ATOM 541 NH1 ARG A 50 -2.808 -1.821 6.803 1.00 0.00 N ATOM 542 NH2 ARG A 50 -3.683 -3.096 8.498 1.00 0.00 N ATOM 0 H ARG A 50 1.553 -4.450 4.802 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.229 -6.628 5.035 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.167 -4.240 3.152 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.534 -5.321 3.333 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.782 -4.442 5.956 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.831 -3.030 4.919 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.095 -3.175 4.582 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.094 -4.927 4.563 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.526 -4.956 6.854 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.457 -1.738 5.849 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.836 -1.001 7.409 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.007 -3.996 8.852 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.709 -2.273 9.099 1.00 0.00 H new ATOM 556 N TYR A 51 1.622 -6.511 2.335 1.00 0.00 N ATOM 557 CA TYR A 51 2.045 -7.267 1.162 1.00 0.00 C ATOM 558 C TYR A 51 2.425 -8.692 1.554 1.00 0.00 C ATOM 559 O TYR A 51 1.864 -9.658 1.038 1.00 0.00 O ATOM 560 CB TYR A 51 3.228 -6.568 0.480 1.00 0.00 C ATOM 561 CG TYR A 51 3.939 -7.418 -0.552 1.00 0.00 C ATOM 562 CD1 TYR A 51 4.870 -8.374 -0.167 1.00 0.00 C ATOM 563 CD2 TYR A 51 3.677 -7.262 -1.907 1.00 0.00 C ATOM 564 CE1 TYR A 51 5.522 -9.152 -1.104 1.00 0.00 C ATOM 565 CE2 TYR A 51 4.325 -8.038 -2.850 1.00 0.00 C ATOM 566 CZ TYR A 51 5.245 -8.981 -2.443 1.00 0.00 C ATOM 567 OH TYR A 51 5.893 -9.754 -3.379 1.00 0.00 O ATOM 0 H TYR A 51 2.179 -5.677 2.522 1.00 0.00 H new ATOM 0 HA TYR A 51 1.213 -7.313 0.459 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.870 -5.657 0.000 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.946 -6.266 1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.088 -8.511 0.882 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.957 -6.524 -2.229 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.245 -9.890 -0.789 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.112 -7.906 -3.900 1.00 0.00 H new ATOM 0 HH TYR A 51 5.583 -9.510 -4.276 1.00 0.00 H new ATOM 577 N ARG A 52 3.377 -8.813 2.475 1.00 0.00 N ATOM 578 CA ARG A 52 3.830 -10.119 2.945 1.00 0.00 C ATOM 579 C ARG A 52 2.652 -10.965 3.419 1.00 0.00 C ATOM 580 O ARG A 52 2.530 -12.136 3.058 1.00 0.00 O ATOM 581 CB ARG A 52 4.839 -9.954 4.082 1.00 0.00 C ATOM 582 CG ARG A 52 6.138 -9.287 3.657 1.00 0.00 C ATOM 583 CD ARG A 52 7.099 -9.142 4.828 1.00 0.00 C ATOM 584 NE ARG A 52 7.163 -7.765 5.316 1.00 0.00 N ATOM 585 CZ ARG A 52 7.999 -7.355 6.267 1.00 0.00 C ATOM 586 NH1 ARG A 52 8.843 -8.210 6.833 1.00 0.00 N ATOM 587 NH2 ARG A 52 7.993 -6.087 6.653 1.00 0.00 N ATOM 0 H ARG A 52 3.850 -8.022 2.911 1.00 0.00 H new ATOM 0 HA ARG A 52 4.311 -10.629 2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.383 -9.366 4.878 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.065 -10.935 4.500 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.609 -9.874 2.869 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.923 -8.304 3.237 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.785 -9.800 5.638 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.094 -9.465 4.523 1.00 0.00 H new ATOM 0 HE ARG A 52 6.530 -7.079 4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.853 -9.187 6.539 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.481 -7.890 7.561 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.348 -5.426 6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.634 -5.773 7.382 1.00 0.00 H new ATOM 601 N LYS A 53 1.787 -10.362 4.230 1.00 0.00 N ATOM 602 CA LYS A 53 0.620 -11.061 4.754 1.00 0.00 C ATOM 603 C LYS A 53 -0.392 -11.340 3.646 1.00 0.00 C ATOM 604 O LYS A 53 -1.128 -12.326 3.698 1.00 0.00 O ATOM 605 CB LYS A 53 -0.038 -10.238 5.863 1.00 0.00 C ATOM 606 CG LYS A 53 0.916 -9.856 6.983 1.00 0.00 C ATOM 607 CD LYS A 53 1.242 -11.049 7.871 1.00 0.00 C ATOM 608 CE LYS A 53 2.668 -11.535 7.660 1.00 0.00 C ATOM 609 NZ LYS A 53 2.709 -12.862 6.984 1.00 0.00 N ATOM 0 H LYS A 53 1.873 -9.393 4.537 1.00 0.00 H new ATOM 0 HA LYS A 53 0.954 -12.014 5.165 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.459 -9.331 5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.868 -10.806 6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.836 -9.456 6.558 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.472 -9.063 7.585 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.102 -10.773 8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.546 -11.861 7.660 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.215 -10.806 7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.175 -11.602 8.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.080 -13.576 7.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.749 -13.131 6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.326 -12.807 6.149 1.00 0.00 H new ATOM 623 N ALA A 54 -0.423 -10.468 2.641 1.00 0.00 N ATOM 624 CA ALA A 54 -1.343 -10.626 1.521 1.00 0.00 C ATOM 625 C ALA A 54 -0.863 -11.709 0.562 1.00 0.00 C ATOM 626 O ALA A 54 -1.666 -12.372 -0.095 1.00 0.00 O ATOM 627 CB ALA A 54 -1.507 -9.303 0.786 1.00 0.00 C ATOM 0 H ALA A 54 0.178 -9.646 2.581 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.310 -10.934 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.196 -9.433 -0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.904 -8.553 1.471 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.539 -8.974 0.409 1.00 0.00 H new ATOM 633 N VAL A 55 0.452 -11.885 0.486 1.00 0.00 N ATOM 634 CA VAL A 55 1.041 -12.888 -0.393 1.00 0.00 C ATOM 635 C VAL A 55 1.365 -14.177 0.362 1.00 0.00 C ATOM 636 O VAL A 55 1.934 -15.110 -0.206 1.00 0.00 O ATOM 637 CB VAL A 55 2.324 -12.359 -1.064 1.00 0.00 C ATOM 638 CG1 VAL A 55 3.402 -12.084 -0.026 1.00 0.00 C ATOM 639 CG2 VAL A 55 2.823 -13.343 -2.113 1.00 0.00 C ATOM 0 H VAL A 55 1.131 -11.345 1.023 1.00 0.00 H new ATOM 0 HA VAL A 55 0.298 -13.106 -1.160 1.00 0.00 H new ATOM 0 HB VAL A 55 2.087 -11.419 -1.562 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.298 -11.712 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.043 -11.338 0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.638 -13.005 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.729 -12.953 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.041 -14.300 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.057 -13.481 -2.876 1.00 0.00 H new ATOM 649 N ALA A 56 1.002 -14.227 1.642 1.00 0.00 N ATOM 650 CA ALA A 56 1.256 -15.405 2.464 1.00 0.00 C ATOM 651 C ALA A 56 2.753 -15.641 2.643 1.00 0.00 C ATOM 652 O ALA A 56 3.211 -16.783 2.676 1.00 0.00 O ATOM 653 CB ALA A 56 0.597 -16.631 1.850 1.00 0.00 C ATOM 0 H ALA A 56 0.531 -13.465 2.131 1.00 0.00 H new ATOM 0 HA ALA A 56 0.823 -15.228 3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.795 -17.502 2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.479 -16.470 1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.002 -16.800 0.852 1.00 0.00 H new ATOM 659 N LYS A 57 3.511 -14.556 2.759 1.00 0.00 N ATOM 660 CA LYS A 57 4.955 -14.649 2.937 1.00 0.00 C ATOM 661 C LYS A 57 5.339 -14.421 4.395 1.00 0.00 C ATOM 662 O LYS A 57 4.474 -14.285 5.261 1.00 0.00 O ATOM 663 CB LYS A 57 5.670 -13.632 2.047 1.00 0.00 C ATOM 664 CG LYS A 57 6.068 -14.186 0.690 1.00 0.00 C ATOM 665 CD LYS A 57 6.200 -13.081 -0.345 1.00 0.00 C ATOM 666 CE LYS A 57 7.507 -13.186 -1.113 1.00 0.00 C ATOM 667 NZ LYS A 57 7.681 -12.056 -2.068 1.00 0.00 N ATOM 0 H LYS A 57 3.150 -13.603 2.733 1.00 0.00 H new ATOM 0 HA LYS A 57 5.265 -15.654 2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.020 -12.769 1.902 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.563 -13.276 2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.014 -14.720 0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.323 -14.910 0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.363 -13.132 -1.041 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.145 -12.111 0.149 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.341 -13.200 -0.411 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.533 -14.130 -1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.028 -12.421 -2.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.768 -11.579 -2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.369 -11.378 -1.682 1.00 0.00 H new ATOM 681 N ASP A 58 6.641 -14.375 4.659 1.00 0.00 N ATOM 682 CA ASP A 58 7.141 -14.161 6.011 1.00 0.00 C ATOM 683 C ASP A 58 8.515 -13.494 5.979 1.00 0.00 C ATOM 684 O ASP A 58 9.074 -13.260 4.908 1.00 0.00 O ATOM 685 CB ASP A 58 7.217 -15.492 6.763 1.00 0.00 C ATOM 686 CG ASP A 58 6.117 -15.630 7.799 1.00 0.00 C ATOM 687 OD1 ASP A 58 5.108 -14.901 7.696 1.00 0.00 O ATOM 688 OD2 ASP A 58 6.265 -16.468 8.714 1.00 0.00 O ATOM 0 H ASP A 58 7.369 -14.483 3.953 1.00 0.00 H new ATOM 0 HA ASP A 58 6.450 -13.499 6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.148 -16.314 6.051 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.187 -15.576 7.253 1.00 0.00 H new ATOM 693 N PRO A 59 9.079 -13.174 7.158 1.00 0.00 N ATOM 694 CA PRO A 59 10.394 -12.528 7.256 1.00 0.00 C ATOM 695 C PRO A 59 11.524 -13.402 6.710 1.00 0.00 C ATOM 696 O PRO A 59 12.652 -12.938 6.547 1.00 0.00 O ATOM 697 CB PRO A 59 10.580 -12.303 8.764 1.00 0.00 C ATOM 698 CG PRO A 59 9.217 -12.431 9.352 1.00 0.00 C ATOM 699 CD PRO A 59 8.485 -13.409 8.481 1.00 0.00 C ATOM 0 HA PRO A 59 10.432 -11.613 6.665 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.263 -13.038 9.190 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.004 -11.319 8.965 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.267 -12.786 10.381 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.708 -11.468 9.371 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.632 -14.436 8.814 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.411 -13.225 8.481 1.00 0.00 H new ATOM 707 N ASN A 60 11.218 -14.670 6.435 1.00 0.00 N ATOM 708 CA ASN A 60 12.211 -15.609 5.913 1.00 0.00 C ATOM 709 C ASN A 60 13.040 -14.987 4.791 1.00 0.00 C ATOM 710 O ASN A 60 14.243 -15.235 4.689 1.00 0.00 O ATOM 711 CB ASN A 60 11.521 -16.878 5.408 1.00 0.00 C ATOM 712 CG ASN A 60 11.304 -17.895 6.511 1.00 0.00 C ATOM 713 OD1 ASN A 60 12.038 -17.924 7.498 1.00 0.00 O ATOM 714 ND2 ASN A 60 10.291 -18.739 6.348 1.00 0.00 N ATOM 0 H ASN A 60 10.289 -15.071 6.565 1.00 0.00 H new ATOM 0 HA ASN A 60 12.888 -15.862 6.729 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.560 -16.615 4.966 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.123 -17.326 4.618 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.097 -19.446 7.057 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.707 -18.680 5.514 1.00 0.00 H new ATOM 721 N TYR A 61 12.397 -14.183 3.953 1.00 0.00 N ATOM 722 CA TYR A 61 13.086 -13.530 2.844 1.00 0.00 C ATOM 723 C TYR A 61 13.257 -12.036 3.113 1.00 0.00 C ATOM 724 O TYR A 61 12.492 -11.442 3.871 1.00 0.00 O ATOM 725 CB TYR A 61 12.327 -13.763 1.529 1.00 0.00 C ATOM 726 CG TYR A 61 11.143 -12.844 1.316 1.00 0.00 C ATOM 727 CD1 TYR A 61 10.031 -12.906 2.144 1.00 0.00 C ATOM 728 CD2 TYR A 61 11.140 -11.915 0.282 1.00 0.00 C ATOM 729 CE1 TYR A 61 8.949 -12.069 1.949 1.00 0.00 C ATOM 730 CE2 TYR A 61 10.061 -11.075 0.081 1.00 0.00 C ATOM 731 CZ TYR A 61 8.969 -11.154 0.917 1.00 0.00 C ATOM 732 OH TYR A 61 7.893 -10.317 0.719 1.00 0.00 O ATOM 0 H TYR A 61 11.402 -13.967 4.019 1.00 0.00 H new ATOM 0 HA TYR A 61 14.079 -13.970 2.751 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.021 -13.640 0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.979 -14.796 1.503 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.011 -13.620 2.954 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.995 -11.849 -0.375 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.091 -12.131 2.602 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.074 -10.360 -0.728 1.00 0.00 H new ATOM 0 HH TYR A 61 8.153 -9.586 0.120 1.00 0.00 H new ATOM 742 N TRP A 62 14.271 -11.436 2.493 1.00 0.00 N ATOM 743 CA TRP A 62 14.540 -10.014 2.676 1.00 0.00 C ATOM 744 C TRP A 62 13.667 -9.170 1.752 1.00 0.00 C ATOM 745 O TRP A 62 13.244 -9.633 0.691 1.00 0.00 O ATOM 746 CB TRP A 62 16.025 -9.713 2.426 1.00 0.00 C ATOM 747 CG TRP A 62 16.323 -9.226 1.037 1.00 0.00 C ATOM 748 CD1 TRP A 62 16.024 -9.862 -0.133 1.00 0.00 C ATOM 749 CD2 TRP A 62 16.966 -8.000 0.673 1.00 0.00 C ATOM 750 NE1 TRP A 62 16.452 -9.115 -1.199 1.00 0.00 N ATOM 751 CE2 TRP A 62 17.032 -7.965 -0.733 1.00 0.00 C ATOM 752 CE3 TRP A 62 17.493 -6.930 1.398 1.00 0.00 C ATOM 753 CZ2 TRP A 62 17.606 -6.902 -1.426 1.00 0.00 C ATOM 754 CZ3 TRP A 62 18.061 -5.875 0.708 1.00 0.00 C ATOM 755 CH2 TRP A 62 18.112 -5.869 -0.690 1.00 0.00 C ATOM 0 H TRP A 62 14.917 -11.911 1.862 1.00 0.00 H new ATOM 0 HA TRP A 62 14.297 -9.754 3.706 1.00 0.00 H new ATOM 0 HB2 TRP A 62 16.359 -8.963 3.143 1.00 0.00 H new ATOM 0 HB3 TRP A 62 16.605 -10.616 2.616 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.523 -10.816 -0.208 1.00 0.00 H new ATOM 0 HE1 TRP A 62 16.354 -9.374 -2.181 1.00 0.00 H new ATOM 0 HE3 TRP A 62 17.458 -6.926 2.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.649 -6.895 -2.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 18.472 -5.041 1.258 1.00 0.00 H new ATOM 0 HH2 TRP A 62 18.561 -5.029 -1.198 1.00 0.00 H new ATOM 766 N ILE A 63 13.416 -7.930 2.165 1.00 0.00 N ATOM 767 CA ILE A 63 12.604 -7.008 1.380 1.00 0.00 C ATOM 768 C ILE A 63 13.136 -5.581 1.485 1.00 0.00 C ATOM 769 O ILE A 63 13.054 -4.953 2.542 1.00 0.00 O ATOM 770 CB ILE A 63 11.128 -7.025 1.835 1.00 0.00 C ATOM 771 CG1 ILE A 63 10.567 -8.443 1.766 1.00 0.00 C ATOM 772 CG2 ILE A 63 10.289 -6.080 0.983 1.00 0.00 C ATOM 773 CD1 ILE A 63 9.229 -8.597 2.455 1.00 0.00 C ATOM 0 H ILE A 63 13.765 -7.541 3.041 1.00 0.00 H new ATOM 0 HA ILE A 63 12.662 -7.343 0.344 1.00 0.00 H new ATOM 0 HB ILE A 63 11.085 -6.682 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.464 -8.734 0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.281 -9.130 2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.253 -6.108 1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.674 -5.065 1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.339 -6.390 -0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.891 -9.629 2.366 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.330 -8.338 3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.500 -7.935 1.987 1.00 0.00 H new ATOM 785 N GLN A 64 13.676 -5.074 0.383 1.00 0.00 N ATOM 786 CA GLN A 64 14.212 -3.718 0.346 1.00 0.00 C ATOM 787 C GLN A 64 13.260 -2.779 -0.385 1.00 0.00 C ATOM 788 O GLN A 64 13.198 -2.778 -1.615 1.00 0.00 O ATOM 789 CB GLN A 64 15.578 -3.703 -0.336 1.00 0.00 C ATOM 790 CG GLN A 64 16.388 -2.448 -0.052 1.00 0.00 C ATOM 791 CD GLN A 64 17.690 -2.741 0.666 1.00 0.00 C ATOM 792 OE1 GLN A 64 18.706 -3.035 0.037 1.00 0.00 O ATOM 793 NE2 GLN A 64 17.667 -2.661 1.991 1.00 0.00 N ATOM 0 H GLN A 64 13.754 -5.582 -0.498 1.00 0.00 H new ATOM 0 HA GLN A 64 14.323 -3.372 1.374 1.00 0.00 H new ATOM 0 HB2 GLN A 64 16.147 -4.574 -0.010 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.438 -3.799 -1.413 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.603 -1.939 -0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 64 15.791 -1.764 0.552 1.00 0.00 H new ATOM 0 HE21 GLN A 64 16.802 -2.414 2.472 1.00 0.00 H new ATOM 0 HE22 GLN A 64 18.514 -2.847 2.528 1.00 0.00 H new ATOM 802 N VAL A 65 12.519 -1.983 0.377 1.00 0.00 N ATOM 803 CA VAL A 65 11.567 -1.040 -0.200 1.00 0.00 C ATOM 804 C VAL A 65 12.254 0.265 -0.587 1.00 0.00 C ATOM 805 O VAL A 65 12.481 1.133 0.257 1.00 0.00 O ATOM 806 CB VAL A 65 10.413 -0.732 0.775 1.00 0.00 C ATOM 807 CG1 VAL A 65 9.266 -0.050 0.045 1.00 0.00 C ATOM 808 CG2 VAL A 65 9.934 -2.001 1.464 1.00 0.00 C ATOM 0 H VAL A 65 12.559 -1.971 1.396 1.00 0.00 H new ATOM 0 HA VAL A 65 11.158 -1.512 -1.093 1.00 0.00 H new ATOM 0 HB VAL A 65 10.785 -0.052 1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.460 0.160 0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.618 0.884 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.897 -0.705 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.120 -1.759 2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.581 -2.710 0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.758 -2.444 2.024 1.00 0.00 H new ATOM 818 N HIS A 66 12.584 0.398 -1.868 1.00 0.00 N ATOM 819 CA HIS A 66 13.247 1.599 -2.366 1.00 0.00 C ATOM 820 C HIS A 66 12.384 2.836 -2.139 1.00 0.00 C ATOM 821 O HIS A 66 12.636 3.623 -1.224 1.00 0.00 O ATOM 822 CB HIS A 66 13.568 1.449 -3.855 1.00 0.00 C ATOM 823 CG HIS A 66 14.597 0.400 -4.143 1.00 0.00 C ATOM 824 ND1 HIS A 66 15.946 0.590 -3.930 1.00 0.00 N ATOM 825 CD2 HIS A 66 14.468 -0.856 -4.630 1.00 0.00 C ATOM 826 CE1 HIS A 66 16.602 -0.503 -4.274 1.00 0.00 C ATOM 827 NE2 HIS A 66 15.729 -1.397 -4.702 1.00 0.00 N ATOM 0 H HIS A 66 12.403 -0.310 -2.580 1.00 0.00 H new ATOM 0 HA HIS A 66 14.177 1.725 -1.812 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.652 1.205 -4.393 1.00 0.00 H new ATOM 0 HB3 HIS A 66 13.919 2.406 -4.241 1.00 0.00 H new ATOM 0 HD2 HIS A 66 13.545 -1.343 -4.910 1.00 0.00 H new ATOM 0 HE1 HIS A 66 17.671 -0.642 -4.215 1.00 0.00 H new ATOM 0 HE2 HIS A 66 15.954 -2.336 -5.032 1.00 0.00 H new ATOM 836 N ARG A 67 11.369 3.003 -2.977 1.00 0.00 N ATOM 837 CA ARG A 67 10.465 4.144 -2.874 1.00 0.00 C ATOM 838 C ARG A 67 9.224 3.926 -3.732 1.00 0.00 C ATOM 839 O ARG A 67 9.039 2.853 -4.307 1.00 0.00 O ATOM 840 CB ARG A 67 11.181 5.427 -3.303 1.00 0.00 C ATOM 841 CG ARG A 67 11.694 5.388 -4.733 1.00 0.00 C ATOM 842 CD ARG A 67 13.050 6.065 -4.859 1.00 0.00 C ATOM 843 NE ARG A 67 13.625 5.900 -6.191 1.00 0.00 N ATOM 844 CZ ARG A 67 14.903 6.130 -6.482 1.00 0.00 C ATOM 845 NH1 ARG A 67 15.742 6.535 -5.536 1.00 0.00 N ATOM 846 NH2 ARG A 67 15.344 5.954 -7.720 1.00 0.00 N ATOM 0 H ARG A 67 11.150 2.361 -3.739 1.00 0.00 H new ATOM 0 HA ARG A 67 10.154 4.243 -1.834 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.497 6.269 -3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.019 5.608 -2.630 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.771 4.353 -5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.978 5.881 -5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.946 7.127 -4.639 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.732 5.651 -4.116 1.00 0.00 H new ATOM 0 HE ARG A 67 13.010 5.590 -6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.408 6.671 -4.582 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.721 6.710 -5.763 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.704 5.642 -8.450 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.324 6.131 -7.942 1.00 0.00 H new ATOM 860 N LEU A 68 8.374 4.947 -3.819 1.00 0.00 N ATOM 861 CA LEU A 68 7.152 4.848 -4.616 1.00 0.00 C ATOM 862 C LEU A 68 7.133 5.904 -5.716 1.00 0.00 C ATOM 863 O LEU A 68 7.853 6.899 -5.649 1.00 0.00 O ATOM 864 CB LEU A 68 5.911 4.991 -3.726 1.00 0.00 C ATOM 865 CG LEU A 68 6.120 4.657 -2.247 1.00 0.00 C ATOM 866 CD1 LEU A 68 4.906 5.069 -1.429 1.00 0.00 C ATOM 867 CD2 LEU A 68 6.407 3.171 -2.071 1.00 0.00 C ATOM 0 H LEU A 68 8.506 5.844 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 68 7.136 3.863 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.547 6.016 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.127 4.344 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 68 6.982 5.218 -1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.074 4.823 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.747 6.143 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.026 4.537 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.553 2.951 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.566 2.591 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.308 2.906 -2.624 1.00 0.00 H new ATOM 879 N GLU A 69 6.306 5.676 -6.733 1.00 0.00 N ATOM 880 CA GLU A 69 6.194 6.603 -7.853 1.00 0.00 C ATOM 881 C GLU A 69 4.742 6.742 -8.301 1.00 0.00 C ATOM 882 O GLU A 69 4.055 5.747 -8.528 1.00 0.00 O ATOM 883 CB GLU A 69 7.057 6.127 -9.024 1.00 0.00 C ATOM 884 CG GLU A 69 8.437 6.761 -9.060 1.00 0.00 C ATOM 885 CD GLU A 69 8.894 7.084 -10.469 1.00 0.00 C ATOM 886 OE1 GLU A 69 8.278 7.965 -11.106 1.00 0.00 O ATOM 887 OE2 GLU A 69 9.868 6.455 -10.936 1.00 0.00 O ATOM 0 H GLU A 69 5.703 4.856 -6.803 1.00 0.00 H new ATOM 0 HA GLU A 69 6.549 7.579 -7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.165 5.044 -8.968 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.541 6.348 -9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.428 7.675 -8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.155 6.086 -8.595 1.00 0.00 H new ATOM 894 N HIS A 70 4.282 7.983 -8.428 1.00 0.00 N ATOM 895 CA HIS A 70 2.911 8.248 -8.850 1.00 0.00 C ATOM 896 C HIS A 70 2.643 7.653 -10.229 1.00 0.00 C ATOM 897 O HIS A 70 1.514 7.274 -10.544 1.00 0.00 O ATOM 898 CB HIS A 70 2.644 9.754 -8.871 1.00 0.00 C ATOM 899 CG HIS A 70 2.076 10.277 -7.588 1.00 0.00 C ATOM 900 ND1 HIS A 70 0.856 9.878 -7.086 1.00 0.00 N ATOM 901 CD2 HIS A 70 2.570 11.174 -6.702 1.00 0.00 C ATOM 902 CE1 HIS A 70 0.622 10.507 -5.948 1.00 0.00 C ATOM 903 NE2 HIS A 70 1.647 11.298 -5.691 1.00 0.00 N ATOM 0 H HIS A 70 4.837 8.819 -8.245 1.00 0.00 H new ATOM 0 HA HIS A 70 2.238 7.777 -8.133 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.575 10.277 -9.087 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.955 9.982 -9.684 1.00 0.00 H new ATOM 0 HD1 HIS A 70 0.231 9.202 -7.525 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.513 11.695 -6.776 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.258 10.393 -5.333 1.00 0.00 H new ATOM 912 N GLY A 71 3.687 7.572 -11.047 1.00 0.00 N ATOM 913 CA GLY A 71 3.543 7.021 -12.383 1.00 0.00 C ATOM 914 C GLY A 71 4.708 7.375 -13.284 1.00 0.00 C ATOM 915 O GLY A 71 5.500 6.509 -13.656 1.00 0.00 O ATOM 0 H GLY A 71 4.631 7.878 -10.809 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.454 5.937 -12.318 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.619 7.390 -12.827 1.00 0.00 H new ATOM 919 N ASP A 72 4.815 8.651 -13.638 1.00 0.00 N ATOM 920 CA ASP A 72 5.892 9.119 -14.503 1.00 0.00 C ATOM 921 C ASP A 72 6.116 10.618 -14.325 1.00 0.00 C ATOM 922 O ASP A 72 6.369 11.339 -15.291 1.00 0.00 O ATOM 923 CB ASP A 72 5.570 8.809 -15.967 1.00 0.00 C ATOM 924 CG ASP A 72 6.793 8.355 -16.741 1.00 0.00 C ATOM 925 OD1 ASP A 72 7.906 8.817 -16.418 1.00 0.00 O ATOM 926 OD2 ASP A 72 6.635 7.537 -17.672 1.00 0.00 O ATOM 0 H ASP A 72 4.168 9.381 -13.339 1.00 0.00 H new ATOM 0 HA ASP A 72 6.806 8.596 -14.222 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.805 8.033 -16.012 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.152 9.697 -16.441 1.00 0.00 H new ATOM 931 N GLY A 73 6.021 11.079 -13.082 1.00 0.00 N ATOM 932 CA GLY A 73 6.215 12.488 -12.795 1.00 0.00 C ATOM 933 C GLY A 73 5.722 12.867 -11.413 1.00 0.00 C ATOM 934 O GLY A 73 4.982 13.839 -11.255 1.00 0.00 O ATOM 0 H GLY A 73 5.813 10.501 -12.268 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.274 12.731 -12.880 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.690 13.084 -13.542 1.00 0.00 H new ATOM 938 N GLY A 74 6.132 12.099 -10.410 1.00 0.00 N ATOM 939 CA GLY A 74 5.719 12.371 -9.047 1.00 0.00 C ATOM 940 C GLY A 74 6.219 11.323 -8.073 1.00 0.00 C ATOM 941 O GLY A 74 5.429 10.691 -7.369 1.00 0.00 O ATOM 0 H GLY A 74 6.745 11.291 -10.518 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.091 13.350 -8.746 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.631 12.416 -9.002 1.00 0.00 H new ATOM 945 N ILE A 75 7.534 11.133 -8.036 1.00 0.00 N ATOM 946 CA ILE A 75 8.138 10.152 -7.144 1.00 0.00 C ATOM 947 C ILE A 75 7.816 10.456 -5.688 1.00 0.00 C ATOM 948 O ILE A 75 7.696 11.617 -5.295 1.00 0.00 O ATOM 949 CB ILE A 75 9.667 10.095 -7.315 1.00 0.00 C ATOM 950 CG1 ILE A 75 10.028 9.999 -8.798 1.00 0.00 C ATOM 951 CG2 ILE A 75 10.242 8.917 -6.542 1.00 0.00 C ATOM 952 CD1 ILE A 75 11.509 9.812 -9.056 1.00 0.00 C ATOM 0 H ILE A 75 8.201 11.646 -8.613 1.00 0.00 H new ATOM 0 HA ILE A 75 7.714 9.185 -7.414 1.00 0.00 H new ATOM 0 HB ILE A 75 10.101 11.011 -6.914 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.483 9.166 -9.242 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.692 10.904 -9.303 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.324 8.890 -6.672 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.007 9.027 -5.483 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.808 7.990 -6.916 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.687 9.753 -10.130 1.00 0.00 H new ATOM 0 HD12 ILE A 75 12.060 10.657 -8.643 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.848 8.891 -8.581 1.00 0.00 H new ATOM 964 N LEU A 76 7.677 9.402 -4.895 1.00 0.00 N ATOM 965 CA LEU A 76 7.365 9.546 -3.479 1.00 0.00 C ATOM 966 C LEU A 76 8.525 9.076 -2.609 1.00 0.00 C ATOM 967 O LEU A 76 8.825 7.881 -2.542 1.00 0.00 O ATOM 968 CB LEU A 76 6.106 8.753 -3.131 1.00 0.00 C ATOM 969 CG LEU A 76 4.838 9.223 -3.840 1.00 0.00 C ATOM 970 CD1 LEU A 76 4.639 8.461 -5.141 1.00 0.00 C ATOM 971 CD2 LEU A 76 3.627 9.060 -2.934 1.00 0.00 C ATOM 0 H LEU A 76 7.776 8.436 -5.209 1.00 0.00 H new ATOM 0 HA LEU A 76 7.192 10.604 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.275 7.704 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.945 8.807 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 76 4.949 10.281 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.730 8.810 -5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.493 8.631 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.550 7.396 -4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.733 9.400 -3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.513 8.010 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.766 9.653 -2.030 1.00 0.00 H new ATOM 983 N ASP A 77 9.164 10.027 -1.936 1.00 0.00 N ATOM 984 CA ASP A 77 10.285 9.725 -1.054 1.00 0.00 C ATOM 985 C ASP A 77 9.781 9.065 0.228 1.00 0.00 C ATOM 986 O ASP A 77 8.741 8.408 0.223 1.00 0.00 O ATOM 987 CB ASP A 77 11.060 11.007 -0.734 1.00 0.00 C ATOM 988 CG ASP A 77 11.303 11.863 -1.962 1.00 0.00 C ATOM 989 OD1 ASP A 77 10.314 12.258 -2.615 1.00 0.00 O ATOM 990 OD2 ASP A 77 12.482 12.137 -2.271 1.00 0.00 O ATOM 0 H ASP A 77 8.923 11.017 -1.985 1.00 0.00 H new ATOM 0 HA ASP A 77 10.958 9.031 -1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.507 11.587 0.005 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.017 10.746 -0.283 1.00 0.00 H new ATOM 995 N LEU A 78 10.517 9.238 1.321 1.00 0.00 N ATOM 996 CA LEU A 78 10.128 8.654 2.601 1.00 0.00 C ATOM 997 C LEU A 78 9.865 9.740 3.644 1.00 0.00 C ATOM 998 O LEU A 78 10.020 9.508 4.843 1.00 0.00 O ATOM 999 CB LEU A 78 11.215 7.703 3.104 1.00 0.00 C ATOM 1000 CG LEU A 78 11.906 6.874 2.019 1.00 0.00 C ATOM 1001 CD1 LEU A 78 13.201 6.275 2.547 1.00 0.00 C ATOM 1002 CD2 LEU A 78 10.978 5.779 1.516 1.00 0.00 C ATOM 0 H LEU A 78 11.383 9.776 1.347 1.00 0.00 H new ATOM 0 HA LEU A 78 9.206 8.094 2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.971 8.286 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.773 7.023 3.832 1.00 0.00 H new ATOM 0 HG LEU A 78 12.148 7.532 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.678 5.689 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 78 13.871 7.076 2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 78 12.983 5.630 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.485 5.199 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 78 10.706 5.124 2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.077 6.229 1.099 1.00 0.00 H new ATOM 1014 N ASP A 79 9.469 10.923 3.183 1.00 0.00 N ATOM 1015 CA ASP A 79 9.187 12.038 4.084 1.00 0.00 C ATOM 1016 C ASP A 79 7.922 12.791 3.669 1.00 0.00 C ATOM 1017 O ASP A 79 7.142 13.220 4.518 1.00 0.00 O ATOM 1018 CB ASP A 79 10.375 13.002 4.122 1.00 0.00 C ATOM 1019 CG ASP A 79 11.659 12.319 4.552 1.00 0.00 C ATOM 1020 OD1 ASP A 79 11.815 12.061 5.765 1.00 0.00 O ATOM 1021 OD2 ASP A 79 12.506 12.044 3.680 1.00 0.00 O ATOM 0 H ASP A 79 9.336 11.135 2.194 1.00 0.00 H new ATOM 0 HA ASP A 79 9.023 11.624 5.079 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.514 13.443 3.135 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.154 13.820 4.808 1.00 0.00 H new ATOM 1026 N ASP A 80 7.731 12.957 2.363 1.00 0.00 N ATOM 1027 CA ASP A 80 6.566 13.669 1.840 1.00 0.00 C ATOM 1028 C ASP A 80 5.259 13.073 2.365 1.00 0.00 C ATOM 1029 O ASP A 80 4.865 11.974 1.976 1.00 0.00 O ATOM 1030 CB ASP A 80 6.576 13.643 0.309 1.00 0.00 C ATOM 1031 CG ASP A 80 6.628 15.033 -0.293 1.00 0.00 C ATOM 1032 OD1 ASP A 80 5.816 15.889 0.119 1.00 0.00 O ATOM 1033 OD2 ASP A 80 7.479 15.267 -1.176 1.00 0.00 O ATOM 0 H ASP A 80 8.368 12.608 1.646 1.00 0.00 H new ATOM 0 HA ASP A 80 6.625 14.701 2.185 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.436 13.068 -0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.684 13.128 -0.049 1.00 0.00 H new ATOM 1038 N ILE A 81 4.589 13.814 3.244 1.00 0.00 N ATOM 1039 CA ILE A 81 3.323 13.369 3.820 1.00 0.00 C ATOM 1040 C ILE A 81 2.343 12.924 2.739 1.00 0.00 C ATOM 1041 O ILE A 81 2.470 13.302 1.574 1.00 0.00 O ATOM 1042 CB ILE A 81 2.693 14.488 4.674 1.00 0.00 C ATOM 1043 CG1 ILE A 81 3.542 14.714 5.920 1.00 0.00 C ATOM 1044 CG2 ILE A 81 1.259 14.145 5.063 1.00 0.00 C ATOM 1045 CD1 ILE A 81 3.556 13.522 6.850 1.00 0.00 C ATOM 0 H ILE A 81 4.903 14.727 3.573 1.00 0.00 H new ATOM 0 HA ILE A 81 3.537 12.511 4.458 1.00 0.00 H new ATOM 0 HB ILE A 81 2.664 15.403 4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.564 14.945 5.619 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.164 15.583 6.458 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.842 14.953 5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.659 14.016 4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.250 13.221 5.641 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.177 13.745 7.718 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.539 13.304 7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.962 12.657 6.326 1.00 0.00 H new ATOM 1057 N LEU A 82 1.370 12.111 3.136 1.00 0.00 N ATOM 1058 CA LEU A 82 0.371 11.601 2.208 1.00 0.00 C ATOM 1059 C LEU A 82 -0.329 12.738 1.468 1.00 0.00 C ATOM 1060 O LEU A 82 -0.298 12.803 0.241 1.00 0.00 O ATOM 1061 CB LEU A 82 -0.659 10.747 2.952 1.00 0.00 C ATOM 1062 CG LEU A 82 -0.396 9.240 2.914 1.00 0.00 C ATOM 1063 CD1 LEU A 82 -0.393 8.734 1.481 1.00 0.00 C ATOM 1064 CD2 LEU A 82 0.921 8.915 3.603 1.00 0.00 C ATOM 0 H LEU A 82 1.253 11.791 4.097 1.00 0.00 H new ATOM 0 HA LEU A 82 0.884 10.982 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.692 11.069 3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.644 10.940 2.527 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.199 8.734 3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.204 7.660 1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.361 8.935 1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.389 9.243 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.094 7.839 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.735 9.431 3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.878 9.242 4.642 1.00 0.00 H new ATOM 1076 N CYS A 83 -0.965 13.629 2.218 1.00 0.00 N ATOM 1077 CA CYS A 83 -1.675 14.757 1.628 1.00 0.00 C ATOM 1078 C CYS A 83 -0.714 15.717 0.925 1.00 0.00 C ATOM 1079 O CYS A 83 -1.139 16.574 0.150 1.00 0.00 O ATOM 1080 CB CYS A 83 -2.462 15.509 2.703 1.00 0.00 C ATOM 1081 SG CYS A 83 -1.454 16.072 4.096 1.00 0.00 S ATOM 0 H CYS A 83 -1.004 13.592 3.237 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.365 14.360 0.884 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -2.947 16.372 2.247 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.253 14.861 3.079 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.383 16.657 3.648 1.00 0.00 H new ATOM 1087 N ASP A 84 0.580 15.575 1.202 1.00 0.00 N ATOM 1088 CA ASP A 84 1.588 16.439 0.598 1.00 0.00 C ATOM 1089 C ASP A 84 1.947 15.981 -0.815 1.00 0.00 C ATOM 1090 O ASP A 84 2.272 16.800 -1.673 1.00 0.00 O ATOM 1091 CB ASP A 84 2.847 16.472 1.468 1.00 0.00 C ATOM 1092 CG ASP A 84 2.718 17.426 2.639 1.00 0.00 C ATOM 1093 OD1 ASP A 84 1.572 17.731 3.032 1.00 0.00 O ATOM 1094 OD2 ASP A 84 3.762 17.868 3.162 1.00 0.00 O ATOM 0 H ASP A 84 0.953 14.871 1.839 1.00 0.00 H new ATOM 0 HA ASP A 84 1.166 17.442 0.531 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.053 15.469 1.842 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.700 16.766 0.856 1.00 0.00 H new ATOM 1099 N VAL A 85 1.896 14.673 -1.050 1.00 0.00 N ATOM 1100 CA VAL A 85 2.229 14.126 -2.363 1.00 0.00 C ATOM 1101 C VAL A 85 1.099 13.266 -2.922 1.00 0.00 C ATOM 1102 O VAL A 85 0.740 13.380 -4.095 1.00 0.00 O ATOM 1103 CB VAL A 85 3.521 13.288 -2.306 1.00 0.00 C ATOM 1104 CG1 VAL A 85 3.351 12.101 -1.371 1.00 0.00 C ATOM 1105 CG2 VAL A 85 3.924 12.825 -3.700 1.00 0.00 C ATOM 0 H VAL A 85 1.629 13.976 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 85 2.380 14.978 -3.025 1.00 0.00 H new ATOM 0 HB VAL A 85 4.319 13.918 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.275 11.523 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.119 12.458 -0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.538 11.470 -1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.838 12.235 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.127 12.215 -4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.095 13.693 -4.336 1.00 0.00 H new ATOM 1115 N ALA A 86 0.547 12.401 -2.081 1.00 0.00 N ATOM 1116 CA ALA A 86 -0.535 11.516 -2.494 1.00 0.00 C ATOM 1117 C ALA A 86 -1.862 12.261 -2.579 1.00 0.00 C ATOM 1118 O ALA A 86 -1.956 13.431 -2.212 1.00 0.00 O ATOM 1119 CB ALA A 86 -0.649 10.342 -1.534 1.00 0.00 C ATOM 0 H ALA A 86 0.831 12.293 -1.107 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.299 11.140 -3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.461 9.688 -1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.287 9.783 -1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.855 10.712 -0.530 1.00 0.00 H new ATOM 1125 N ASP A 87 -2.887 11.567 -3.065 1.00 0.00 N ATOM 1126 CA ASP A 87 -4.215 12.153 -3.199 1.00 0.00 C ATOM 1127 C ASP A 87 -5.294 11.117 -2.901 1.00 0.00 C ATOM 1128 O ASP A 87 -5.071 9.915 -3.040 1.00 0.00 O ATOM 1129 CB ASP A 87 -4.405 12.717 -4.608 1.00 0.00 C ATOM 1130 CG ASP A 87 -5.383 13.875 -4.641 1.00 0.00 C ATOM 1131 OD1 ASP A 87 -5.502 14.579 -3.616 1.00 0.00 O ATOM 1132 OD2 ASP A 87 -6.027 14.080 -5.691 1.00 0.00 O ATOM 0 H ASP A 87 -2.822 10.597 -3.373 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.305 12.965 -2.477 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.442 13.047 -4.997 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.761 11.926 -5.268 1.00 0.00 H new ATOM 1137 N ASP A 88 -6.465 11.591 -2.489 1.00 0.00 N ATOM 1138 CA ASP A 88 -7.584 10.708 -2.169 1.00 0.00 C ATOM 1139 C ASP A 88 -7.876 9.751 -3.322 1.00 0.00 C ATOM 1140 O ASP A 88 -8.201 10.178 -4.430 1.00 0.00 O ATOM 1141 CB ASP A 88 -8.831 11.528 -1.843 1.00 0.00 C ATOM 1142 CG ASP A 88 -8.757 12.177 -0.475 1.00 0.00 C ATOM 1143 OD1 ASP A 88 -9.018 11.479 0.527 1.00 0.00 O ATOM 1144 OD2 ASP A 88 -8.438 13.382 -0.407 1.00 0.00 O ATOM 0 H ASP A 88 -6.665 12.584 -2.368 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.307 10.118 -1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.963 12.300 -2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.708 10.883 -1.889 1.00 0.00 H new ATOM 1149 N LYS A 89 -7.759 8.455 -3.052 1.00 0.00 N ATOM 1150 CA LYS A 89 -8.009 7.435 -4.064 1.00 0.00 C ATOM 1151 C LYS A 89 -7.038 7.573 -5.232 1.00 0.00 C ATOM 1152 O LYS A 89 -7.420 7.988 -6.326 1.00 0.00 O ATOM 1153 CB LYS A 89 -9.452 7.532 -4.568 1.00 0.00 C ATOM 1154 CG LYS A 89 -9.917 6.294 -5.319 1.00 0.00 C ATOM 1155 CD LYS A 89 -11.271 5.812 -4.818 1.00 0.00 C ATOM 1156 CE LYS A 89 -12.178 5.405 -5.967 1.00 0.00 C ATOM 1157 NZ LYS A 89 -11.694 4.170 -6.647 1.00 0.00 N ATOM 0 H LYS A 89 -7.492 8.086 -2.139 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.855 6.458 -3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.114 7.702 -3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.542 8.399 -5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.980 6.516 -6.384 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.181 5.499 -5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.131 4.965 -4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.748 6.603 -4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.188 5.241 -5.591 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.235 6.219 -6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -12.340 3.926 -7.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.740 4.334 -7.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -11.663 3.387 -5.964 1.00 0.00 H new ATOM 1171 N ASP A 90 -5.777 7.223 -4.991 1.00 0.00 N ATOM 1172 CA ASP A 90 -4.751 7.308 -6.022 1.00 0.00 C ATOM 1173 C ASP A 90 -3.819 6.102 -5.967 1.00 0.00 C ATOM 1174 O ASP A 90 -3.399 5.680 -4.889 1.00 0.00 O ATOM 1175 CB ASP A 90 -3.944 8.598 -5.863 1.00 0.00 C ATOM 1176 CG ASP A 90 -3.100 8.905 -7.084 1.00 0.00 C ATOM 1177 OD1 ASP A 90 -3.681 9.175 -8.156 1.00 0.00 O ATOM 1178 OD2 ASP A 90 -1.855 8.876 -6.969 1.00 0.00 O ATOM 0 H ASP A 90 -5.443 6.878 -4.091 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.248 7.315 -6.992 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.625 9.429 -5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.298 8.514 -4.989 1.00 0.00 H new ATOM 1183 N ARG A 91 -3.500 5.551 -7.133 1.00 0.00 N ATOM 1184 CA ARG A 91 -2.617 4.394 -7.218 1.00 0.00 C ATOM 1185 C ARG A 91 -1.157 4.831 -7.291 1.00 0.00 C ATOM 1186 O ARG A 91 -0.842 5.885 -7.842 1.00 0.00 O ATOM 1187 CB ARG A 91 -2.971 3.543 -8.440 1.00 0.00 C ATOM 1188 CG ARG A 91 -2.772 4.265 -9.764 1.00 0.00 C ATOM 1189 CD ARG A 91 -2.608 3.285 -10.913 1.00 0.00 C ATOM 1190 NE ARG A 91 -1.615 3.740 -11.883 1.00 0.00 N ATOM 1191 CZ ARG A 91 -1.490 3.235 -13.109 1.00 0.00 C ATOM 1192 NH1 ARG A 91 -2.292 2.260 -13.517 1.00 0.00 N ATOM 1193 NH2 ARG A 91 -0.561 3.708 -13.929 1.00 0.00 N ATOM 0 H ARG A 91 -3.840 5.888 -8.034 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.754 3.795 -6.318 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.360 2.640 -8.433 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -4.011 3.225 -8.362 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.626 4.915 -9.957 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.892 4.905 -9.702 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.312 2.312 -10.520 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.567 3.149 -11.413 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.980 4.488 -11.605 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.009 1.893 -12.891 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.192 1.877 -14.457 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.057 4.458 -13.621 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.465 3.321 -14.868 1.00 0.00 H new ATOM 1207 N LEU A 92 -0.270 4.013 -6.730 1.00 0.00 N ATOM 1208 CA LEU A 92 1.156 4.320 -6.730 1.00 0.00 C ATOM 1209 C LEU A 92 1.982 3.083 -7.066 1.00 0.00 C ATOM 1210 O LEU A 92 1.561 1.953 -6.815 1.00 0.00 O ATOM 1211 CB LEU A 92 1.579 4.871 -5.368 1.00 0.00 C ATOM 1212 CG LEU A 92 0.756 6.059 -4.861 1.00 0.00 C ATOM 1213 CD1 LEU A 92 0.451 5.905 -3.379 1.00 0.00 C ATOM 1214 CD2 LEU A 92 1.489 7.366 -5.123 1.00 0.00 C ATOM 0 H LEU A 92 -0.513 3.135 -6.271 1.00 0.00 H new ATOM 0 HA LEU A 92 1.338 5.075 -7.495 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.518 4.068 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.625 5.172 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.189 6.079 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.134 6.759 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.116 4.988 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.385 5.858 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.890 8.199 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.449 7.355 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.655 7.482 -6.194 1.00 0.00 H new ATOM 1226 N VAL A 93 3.165 3.304 -7.631 1.00 0.00 N ATOM 1227 CA VAL A 93 4.058 2.210 -7.997 1.00 0.00 C ATOM 1228 C VAL A 93 5.139 2.019 -6.938 1.00 0.00 C ATOM 1229 O VAL A 93 5.949 2.914 -6.699 1.00 0.00 O ATOM 1230 CB VAL A 93 4.724 2.461 -9.361 1.00 0.00 C ATOM 1231 CG1 VAL A 93 5.504 1.235 -9.809 1.00 0.00 C ATOM 1232 CG2 VAL A 93 3.685 2.850 -10.401 1.00 0.00 C ATOM 0 H VAL A 93 3.528 4.233 -7.846 1.00 0.00 H new ATOM 0 HA VAL A 93 3.451 1.307 -8.064 1.00 0.00 H new ATOM 0 HB VAL A 93 5.424 3.289 -9.254 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.968 1.432 -10.776 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.277 1.008 -9.075 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.827 0.385 -9.898 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.176 3.023 -11.359 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.957 2.046 -10.507 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.176 3.760 -10.084 1.00 0.00 H new ATOM 1242 N ALA A 94 5.141 0.853 -6.302 1.00 0.00 N ATOM 1243 CA ALA A 94 6.118 0.556 -5.263 1.00 0.00 C ATOM 1244 C ALA A 94 7.270 -0.290 -5.797 1.00 0.00 C ATOM 1245 O ALA A 94 7.070 -1.414 -6.262 1.00 0.00 O ATOM 1246 CB ALA A 94 5.446 -0.151 -4.096 1.00 0.00 C ATOM 0 H ALA A 94 4.478 0.100 -6.488 1.00 0.00 H new ATOM 0 HA ALA A 94 6.533 1.503 -4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.187 -0.367 -3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.668 0.490 -3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.001 -1.083 -4.443 1.00 0.00 H new ATOM 1252 N VAL A 95 8.479 0.259 -5.714 1.00 0.00 N ATOM 1253 CA VAL A 95 9.673 -0.441 -6.175 1.00 0.00 C ATOM 1254 C VAL A 95 10.482 -0.953 -4.989 1.00 0.00 C ATOM 1255 O VAL A 95 10.861 -0.184 -4.105 1.00 0.00 O ATOM 1256 CB VAL A 95 10.565 0.474 -7.037 1.00 0.00 C ATOM 1257 CG1 VAL A 95 11.705 -0.319 -7.657 1.00 0.00 C ATOM 1258 CG2 VAL A 95 9.738 1.165 -8.110 1.00 0.00 C ATOM 0 H VAL A 95 8.657 1.188 -5.331 1.00 0.00 H new ATOM 0 HA VAL A 95 9.341 -1.282 -6.785 1.00 0.00 H new ATOM 0 HB VAL A 95 10.998 1.241 -6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.323 0.345 -8.262 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.312 -0.761 -6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.298 -1.110 -8.287 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.383 1.807 -8.709 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.275 0.415 -8.752 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.962 1.769 -7.639 1.00 0.00 H new ATOM 1268 N PHE A 96 10.733 -2.257 -4.964 1.00 0.00 N ATOM 1269 CA PHE A 96 11.484 -2.865 -3.873 1.00 0.00 C ATOM 1270 C PHE A 96 12.236 -4.108 -4.337 1.00 0.00 C ATOM 1271 O PHE A 96 12.249 -4.436 -5.524 1.00 0.00 O ATOM 1272 CB PHE A 96 10.534 -3.234 -2.730 1.00 0.00 C ATOM 1273 CG PHE A 96 9.604 -4.367 -3.062 1.00 0.00 C ATOM 1274 CD1 PHE A 96 8.743 -4.282 -4.146 1.00 0.00 C ATOM 1275 CD2 PHE A 96 9.593 -5.520 -2.293 1.00 0.00 C ATOM 1276 CE1 PHE A 96 7.891 -5.322 -4.454 1.00 0.00 C ATOM 1277 CE2 PHE A 96 8.742 -6.565 -2.597 1.00 0.00 C ATOM 1278 CZ PHE A 96 7.890 -6.467 -3.680 1.00 0.00 C ATOM 0 H PHE A 96 10.428 -2.911 -5.685 1.00 0.00 H new ATOM 0 HA PHE A 96 12.216 -2.137 -3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.122 -3.503 -1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 96 9.944 -2.358 -2.462 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.740 -3.391 -4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.258 -5.603 -1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.225 -5.242 -5.300 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.743 -7.457 -1.989 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.225 -7.283 -3.921 1.00 0.00 H new ATOM 1288 N ASP A 97 12.852 -4.798 -3.384 1.00 0.00 N ATOM 1289 CA ASP A 97 13.600 -6.015 -3.671 1.00 0.00 C ATOM 1290 C ASP A 97 13.096 -7.155 -2.793 1.00 0.00 C ATOM 1291 O ASP A 97 12.479 -6.916 -1.756 1.00 0.00 O ATOM 1292 CB ASP A 97 15.096 -5.791 -3.435 1.00 0.00 C ATOM 1293 CG ASP A 97 15.936 -6.201 -4.630 1.00 0.00 C ATOM 1294 OD1 ASP A 97 15.828 -7.369 -5.058 1.00 0.00 O ATOM 1295 OD2 ASP A 97 16.701 -5.352 -5.135 1.00 0.00 O ATOM 0 H ASP A 97 12.847 -4.532 -2.399 1.00 0.00 H new ATOM 0 HA ASP A 97 13.450 -6.279 -4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.273 -4.738 -3.214 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.412 -6.358 -2.560 1.00 0.00 H new ATOM 1300 N GLU A 98 13.353 -8.388 -3.210 1.00 0.00 N ATOM 1301 CA GLU A 98 12.910 -9.549 -2.447 1.00 0.00 C ATOM 1302 C GLU A 98 13.751 -10.780 -2.769 1.00 0.00 C ATOM 1303 O GLU A 98 14.059 -11.046 -3.930 1.00 0.00 O ATOM 1304 CB GLU A 98 11.436 -9.838 -2.736 1.00 0.00 C ATOM 1305 CG GLU A 98 11.099 -9.853 -4.218 1.00 0.00 C ATOM 1306 CD GLU A 98 10.219 -11.026 -4.605 1.00 0.00 C ATOM 1307 OE1 GLU A 98 8.992 -10.945 -4.384 1.00 0.00 O ATOM 1308 OE2 GLU A 98 10.756 -12.024 -5.128 1.00 0.00 O ATOM 0 H GLU A 98 13.862 -8.610 -4.066 1.00 0.00 H new ATOM 0 HA GLU A 98 13.034 -9.320 -1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.171 -10.802 -2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.823 -9.086 -2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.595 -8.923 -4.481 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.022 -9.890 -4.796 1.00 0.00 H new ATOM 1315 N GLN A 99 14.111 -11.537 -1.733 1.00 0.00 N ATOM 1316 CA GLN A 99 14.908 -12.748 -1.921 1.00 0.00 C ATOM 1317 C GLN A 99 14.143 -13.985 -1.461 1.00 0.00 C ATOM 1318 O GLN A 99 14.590 -14.712 -0.573 1.00 0.00 O ATOM 1319 CB GLN A 99 16.244 -12.657 -1.178 1.00 0.00 C ATOM 1320 CG GLN A 99 17.166 -13.837 -1.443 1.00 0.00 C ATOM 1321 CD GLN A 99 18.620 -13.515 -1.162 1.00 0.00 C ATOM 1322 OE1 GLN A 99 19.359 -13.096 -2.052 1.00 0.00 O ATOM 1323 NE2 GLN A 99 19.039 -13.712 0.083 1.00 0.00 N ATOM 0 H GLN A 99 13.866 -11.336 -0.764 1.00 0.00 H new ATOM 0 HA GLN A 99 15.111 -12.838 -2.988 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.751 -11.737 -1.469 1.00 0.00 H new ATOM 0 HB3 GLN A 99 16.052 -12.590 -0.107 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.858 -14.680 -0.824 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.061 -14.149 -2.482 1.00 0.00 H new ATOM 0 HE21 GLN A 99 18.392 -14.061 0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 99 20.008 -13.514 0.332 1.00 0.00 H new ATOM 1332 N ASP A 100 12.986 -14.219 -2.069 1.00 0.00 N ATOM 1333 CA ASP A 100 12.160 -15.369 -1.721 1.00 0.00 C ATOM 1334 C ASP A 100 12.575 -16.600 -2.520 1.00 0.00 C ATOM 1335 O ASP A 100 13.007 -16.433 -3.681 1.00 0.00 O ATOM 1336 CB ASP A 100 10.684 -15.057 -1.971 1.00 0.00 C ATOM 1337 CG ASP A 100 9.760 -15.907 -1.118 1.00 0.00 C ATOM 1338 OD1 ASP A 100 9.784 -17.146 -1.270 1.00 0.00 O ATOM 1339 OD2 ASP A 100 9.014 -15.331 -0.298 1.00 0.00 O ATOM 1340 OXT ASP A 100 12.466 -17.720 -1.978 1.00 0.00 O ATOM 0 H ASP A 100 12.599 -13.628 -2.805 1.00 0.00 H new ATOM 0 HA ASP A 100 12.305 -15.581 -0.662 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.498 -14.003 -1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.454 -15.220 -3.024 1.00 0.00 H new TER 1345 ASP A 100