USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 THR OG1 : rot -80:sc= 0.118 USER MOD Single : A 1 MET CE :methyl -145:sc= -0.0378 (180deg=-0.716) USER MOD Single : A -2 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0784) USER MOD Single : A -7 LYS NZ :NH3+ 172:sc= 0.787 (180deg=0.754) USER MOD Single : A -8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.568 K(o=-0.57,f=-1.4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0367 USER MOD Single : A 21 TYR OH : rot 74:sc= 0.352 USER MOD Single : A 29 THR OG1 : rot 101:sc= 0.776 USER MOD Single : A 36 SER OG : rot 95:sc= 0.521 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.211 USER MOD Single : A 55 LYS NZ :NH3+ 179:sc= 0.727 (180deg=0.727) USER MOD Single : A 57 HIS : no HD1:sc= -0.395 X(o=-0.4,f=-0.2) USER MOD Single : A 59 ASN : amide:sc= 0.0734 K(o=0.073,f=-2!) USER MOD Single : A 62 LYS NZ :NH3+ -132:sc= 1.2 (180deg=-0.345) USER MOD Single : A 63 ASN : amide:sc= -0.063 X(o=-0.063,f=-0.29) USER MOD Single : A 69 HIS : no HD1:sc= -0.664 X(o=-0.66,f=-0.6) USER MOD Single : A 73 MET CE :methyl 148:sc= -3.54! (180deg=-5.31!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.128 USER MOD Single : A -13 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -13 -0.242 2.549 0.694 1.00 0.00 N ATOM 2 CA GLY A -13 -1.502 2.582 -0.077 1.00 0.00 C ATOM 3 C GLY A -13 -1.640 1.359 -0.976 1.00 0.00 C ATOM 4 O GLY A -13 -2.085 0.303 -0.516 1.00 0.00 O ATOM 0 H1 GLY A -13 -0.180 3.396 1.295 1.00 0.00 H new ATOM 0 H2 GLY A -13 -0.223 1.698 1.292 1.00 0.00 H new ATOM 0 H3 GLY A -13 0.565 2.530 0.039 1.00 0.00 H new ATOM 0 HA2 GLY A -13 -2.348 2.628 0.609 1.00 0.00 H new ATOM 0 HA3 GLY A -13 -1.534 3.487 -0.684 1.00 0.00 H new ATOM 10 N GLY A -12 -1.224 1.494 -2.256 1.00 0.00 N ATOM 11 CA GLY A -12 -1.318 0.399 -3.229 1.00 0.00 C ATOM 12 C GLY A -12 -0.454 0.639 -4.459 1.00 0.00 C ATOM 13 O GLY A -12 -0.108 1.787 -4.769 1.00 0.00 O ATOM 0 H GLY A -12 -0.821 2.352 -2.632 1.00 0.00 H new ATOM 0 HA2 GLY A -12 -1.016 -0.534 -2.753 1.00 0.00 H new ATOM 0 HA3 GLY A -12 -2.357 0.278 -3.536 1.00 0.00 H new ATOM 17 N GLY A -11 -0.109 -0.456 -5.156 1.00 0.00 N ATOM 18 CA GLY A -11 0.688 -0.407 -6.390 1.00 0.00 C ATOM 19 C GLY A -11 -0.140 -0.799 -7.610 1.00 0.00 C ATOM 20 O GLY A -11 -1.286 -0.349 -7.742 1.00 0.00 O ATOM 0 H GLY A -11 -0.376 -1.401 -4.878 1.00 0.00 H new ATOM 0 HA2 GLY A -11 1.085 0.599 -6.527 1.00 0.00 H new ATOM 0 HA3 GLY A -11 1.542 -1.078 -6.299 1.00 0.00 H new ATOM 24 N ARG A -10 0.429 -1.642 -8.500 1.00 0.00 N ATOM 25 CA ARG A -10 -0.255 -2.107 -9.719 1.00 0.00 C ATOM 26 C ARG A -10 0.297 -3.471 -10.164 1.00 0.00 C ATOM 27 O ARG A -10 1.447 -3.566 -10.601 1.00 0.00 O ATOM 28 CB ARG A -10 -0.106 -1.054 -10.854 1.00 0.00 C ATOM 29 CG ARG A -10 -0.829 -1.400 -12.191 1.00 0.00 C ATOM 30 CD ARG A -10 -1.374 -0.143 -12.899 1.00 0.00 C ATOM 31 NE ARG A -10 -2.423 0.497 -12.072 1.00 0.00 N ATOM 32 CZ ARG A -10 -2.358 1.711 -11.503 1.00 0.00 C ATOM 33 NH1 ARG A -10 -1.329 2.521 -11.726 1.00 0.00 N ATOM 34 NH2 ARG A -10 -3.344 2.104 -10.712 1.00 0.00 N ATOM 0 H ARG A -10 1.372 -2.016 -8.391 1.00 0.00 H new ATOM 0 HA ARG A -10 -1.315 -2.229 -9.498 1.00 0.00 H new ATOM 0 HB2 ARG A -10 -0.487 -0.099 -10.492 1.00 0.00 H new ATOM 0 HB3 ARG A -10 0.955 -0.916 -11.060 1.00 0.00 H new ATOM 0 HG2 ARG A -10 -0.135 -1.917 -12.854 1.00 0.00 H new ATOM 0 HG3 ARG A -10 -1.651 -2.088 -11.991 1.00 0.00 H new ATOM 0 HD2 ARG A -10 -0.563 0.562 -13.079 1.00 0.00 H new ATOM 0 HD3 ARG A -10 -1.783 -0.414 -13.872 1.00 0.00 H new ATOM 0 HE ARG A -10 -3.279 -0.037 -11.920 1.00 0.00 H new ATOM 0 HH11 ARG A -10 -0.570 2.224 -12.339 1.00 0.00 H new ATOM 0 HH12 ARG A -10 -1.298 3.440 -11.284 1.00 0.00 H new ATOM 0 HH21 ARG A -10 -4.138 1.487 -10.542 1.00 0.00 H new ATOM 0 HH22 ARG A -10 -3.309 3.024 -10.272 1.00 0.00 H new ATOM 48 N ASP A -9 -0.532 -4.521 -10.027 1.00 0.00 N ATOM 49 CA ASP A -9 -0.219 -5.879 -10.504 1.00 0.00 C ATOM 50 C ASP A -9 -1.519 -6.658 -10.779 1.00 0.00 C ATOM 51 O ASP A -9 -2.517 -6.497 -10.066 1.00 0.00 O ATOM 52 CB ASP A -9 0.716 -6.637 -9.512 1.00 0.00 C ATOM 53 CG ASP A -9 0.171 -6.873 -8.084 1.00 0.00 C ATOM 54 OD1 ASP A -9 -0.809 -6.224 -7.649 1.00 0.00 O ATOM 55 OD2 ASP A -9 0.753 -7.717 -7.376 1.00 0.00 O ATOM 0 H ASP A -9 -1.445 -4.450 -9.578 1.00 0.00 H new ATOM 0 HA ASP A -9 0.330 -5.795 -11.442 1.00 0.00 H new ATOM 0 HB2 ASP A -9 0.959 -7.606 -9.947 1.00 0.00 H new ATOM 0 HB3 ASP A -9 1.650 -6.080 -9.432 1.00 0.00 H new ATOM 60 N TYR A -8 -1.488 -7.503 -11.821 1.00 0.00 N ATOM 61 CA TYR A -8 -2.686 -8.187 -12.361 1.00 0.00 C ATOM 62 C TYR A -8 -2.846 -9.579 -11.799 1.00 0.00 C ATOM 63 O TYR A -8 -3.938 -9.960 -11.355 1.00 0.00 O ATOM 64 CB TYR A -8 -2.606 -8.290 -13.904 1.00 0.00 C ATOM 65 CG TYR A -8 -2.706 -6.943 -14.630 1.00 0.00 C ATOM 66 CD1 TYR A -8 -1.682 -6.001 -14.533 1.00 0.00 C ATOM 67 CD2 TYR A -8 -3.821 -6.611 -15.406 1.00 0.00 C ATOM 68 CE1 TYR A -8 -1.765 -4.781 -15.175 1.00 0.00 C ATOM 69 CE2 TYR A -8 -3.904 -5.395 -16.048 1.00 0.00 C ATOM 70 CZ TYR A -8 -2.876 -4.486 -15.933 1.00 0.00 C ATOM 71 OH TYR A -8 -2.963 -3.275 -16.579 1.00 0.00 O ATOM 0 H TYR A -8 -0.629 -7.736 -12.319 1.00 0.00 H new ATOM 0 HA TYR A -8 -3.546 -7.586 -12.065 1.00 0.00 H new ATOM 0 HB2 TYR A -8 -1.665 -8.768 -14.177 1.00 0.00 H new ATOM 0 HB3 TYR A -8 -3.407 -8.940 -14.256 1.00 0.00 H new ATOM 0 HD1 TYR A -8 -0.806 -6.230 -13.944 1.00 0.00 H new ATOM 0 HD2 TYR A -8 -4.630 -7.320 -15.504 1.00 0.00 H new ATOM 0 HE1 TYR A -8 -0.964 -4.063 -15.083 1.00 0.00 H new ATOM 0 HE2 TYR A -8 -4.774 -5.155 -16.641 1.00 0.00 H new ATOM 0 HH TYR A -8 -3.809 -3.227 -17.071 1.00 0.00 H new ATOM 81 N LYS A -7 -1.731 -10.313 -11.832 1.00 0.00 N ATOM 82 CA LYS A -7 -1.683 -11.736 -11.521 1.00 0.00 C ATOM 83 C LYS A -7 -2.511 -12.539 -12.548 1.00 0.00 C ATOM 84 O LYS A -7 -3.610 -13.033 -12.247 1.00 0.00 O ATOM 85 CB LYS A -7 -2.093 -12.050 -10.044 1.00 0.00 C ATOM 86 CG LYS A -7 -1.171 -11.434 -8.955 1.00 0.00 C ATOM 87 CD LYS A -7 -1.449 -9.951 -8.636 1.00 0.00 C ATOM 88 CE LYS A -7 -2.842 -9.691 -8.029 1.00 0.00 C ATOM 89 NZ LYS A -7 -3.054 -8.244 -7.758 1.00 0.00 N ATOM 0 H LYS A -7 -0.822 -9.924 -12.081 1.00 0.00 H new ATOM 0 HA LYS A -7 -0.644 -12.056 -11.603 1.00 0.00 H new ATOM 0 HB2 LYS A -7 -3.109 -11.691 -9.882 1.00 0.00 H new ATOM 0 HB3 LYS A -7 -2.112 -13.132 -9.911 1.00 0.00 H new ATOM 0 HG2 LYS A -7 -1.277 -12.014 -8.038 1.00 0.00 H new ATOM 0 HG3 LYS A -7 -0.135 -11.534 -9.277 1.00 0.00 H new ATOM 0 HD2 LYS A -7 -0.689 -9.590 -7.943 1.00 0.00 H new ATOM 0 HD3 LYS A -7 -1.348 -9.368 -9.551 1.00 0.00 H new ATOM 0 HE2 LYS A -7 -3.611 -10.051 -8.712 1.00 0.00 H new ATOM 0 HE3 LYS A -7 -2.948 -10.256 -7.103 1.00 0.00 H new ATOM 0 HZ1 LYS A -7 -4.043 -8.084 -7.479 1.00 0.00 H new ATOM 0 HZ2 LYS A -7 -2.424 -7.939 -6.989 1.00 0.00 H new ATOM 0 HZ3 LYS A -7 -2.844 -7.696 -8.616 1.00 0.00 H new ATOM 103 N ASP A -6 -1.991 -12.587 -13.789 1.00 0.00 N ATOM 104 CA ASP A -6 -2.518 -13.457 -14.853 1.00 0.00 C ATOM 105 C ASP A -6 -2.108 -14.899 -14.510 1.00 0.00 C ATOM 106 O ASP A -6 -2.943 -15.798 -14.392 1.00 0.00 O ATOM 107 CB ASP A -6 -1.939 -13.007 -16.227 1.00 0.00 C ATOM 108 CG ASP A -6 -2.513 -13.783 -17.425 1.00 0.00 C ATOM 109 OD1 ASP A -6 -1.999 -14.876 -17.756 1.00 0.00 O ATOM 110 OD2 ASP A -6 -3.490 -13.307 -18.046 1.00 0.00 O ATOM 0 H ASP A -6 -1.193 -12.023 -14.081 1.00 0.00 H new ATOM 0 HA ASP A -6 -3.604 -13.394 -14.922 1.00 0.00 H new ATOM 0 HB2 ASP A -6 -2.139 -11.944 -16.365 1.00 0.00 H new ATOM 0 HB3 ASP A -6 -0.856 -13.129 -16.212 1.00 0.00 H new ATOM 115 N ASP A -5 -0.787 -15.061 -14.339 1.00 0.00 N ATOM 116 CA ASP A -5 -0.143 -16.247 -13.746 1.00 0.00 C ATOM 117 C ASP A -5 0.036 -15.998 -12.214 1.00 0.00 C ATOM 118 O ASP A -5 -0.485 -15.005 -11.684 1.00 0.00 O ATOM 119 CB ASP A -5 1.216 -16.467 -14.489 1.00 0.00 C ATOM 120 CG ASP A -5 1.908 -17.806 -14.179 1.00 0.00 C ATOM 121 OD1 ASP A -5 1.508 -18.839 -14.748 1.00 0.00 O ATOM 122 OD2 ASP A -5 2.845 -17.837 -13.346 1.00 0.00 O ATOM 0 H ASP A -5 -0.114 -14.347 -14.618 1.00 0.00 H new ATOM 0 HA ASP A -5 -0.742 -17.150 -13.859 1.00 0.00 H new ATOM 0 HB2 ASP A -5 1.042 -16.404 -15.563 1.00 0.00 H new ATOM 0 HB3 ASP A -5 1.893 -15.654 -14.227 1.00 0.00 H new ATOM 127 N ASP A -4 0.751 -16.897 -11.509 1.00 0.00 N ATOM 128 CA ASP A -4 1.009 -16.784 -10.051 1.00 0.00 C ATOM 129 C ASP A -4 1.752 -15.479 -9.670 1.00 0.00 C ATOM 130 O ASP A -4 1.513 -14.912 -8.594 1.00 0.00 O ATOM 131 CB ASP A -4 1.811 -18.023 -9.566 1.00 0.00 C ATOM 132 CG ASP A -4 2.124 -18.007 -8.055 1.00 0.00 C ATOM 133 OD1 ASP A -4 1.192 -18.200 -7.241 1.00 0.00 O ATOM 134 OD2 ASP A -4 3.302 -17.805 -7.675 1.00 0.00 O ATOM 0 H ASP A -4 1.169 -17.726 -11.932 1.00 0.00 H new ATOM 0 HA ASP A -4 0.041 -16.747 -9.552 1.00 0.00 H new ATOM 0 HB2 ASP A -4 1.246 -18.925 -9.801 1.00 0.00 H new ATOM 0 HB3 ASP A -4 2.747 -18.079 -10.121 1.00 0.00 H new ATOM 139 N ASP A -3 2.644 -15.010 -10.561 1.00 0.00 N ATOM 140 CA ASP A -3 3.466 -13.801 -10.322 1.00 0.00 C ATOM 141 C ASP A -3 2.636 -12.499 -10.498 1.00 0.00 C ATOM 142 O ASP A -3 1.437 -12.552 -10.784 1.00 0.00 O ATOM 143 CB ASP A -3 4.705 -13.800 -11.258 1.00 0.00 C ATOM 144 CG ASP A -3 4.369 -13.537 -12.736 1.00 0.00 C ATOM 145 OD1 ASP A -3 3.707 -14.389 -13.354 1.00 0.00 O ATOM 146 OD2 ASP A -3 4.761 -12.476 -13.279 1.00 0.00 O ATOM 0 H ASP A -3 2.818 -15.453 -11.463 1.00 0.00 H new ATOM 0 HA ASP A -3 3.809 -13.827 -9.288 1.00 0.00 H new ATOM 0 HB2 ASP A -3 5.407 -13.040 -10.914 1.00 0.00 H new ATOM 0 HB3 ASP A -3 5.211 -14.762 -11.176 1.00 0.00 H new ATOM 151 N LYS A -2 3.306 -11.335 -10.332 1.00 0.00 N ATOM 152 CA LYS A -2 2.674 -9.992 -10.399 1.00 0.00 C ATOM 153 C LYS A -2 2.122 -9.665 -11.807 1.00 0.00 C ATOM 154 O LYS A -2 1.089 -8.989 -11.934 1.00 0.00 O ATOM 155 CB LYS A -2 3.704 -8.914 -9.942 1.00 0.00 C ATOM 156 CG LYS A -2 4.958 -8.797 -10.843 1.00 0.00 C ATOM 157 CD LYS A -2 5.989 -7.761 -10.338 1.00 0.00 C ATOM 158 CE LYS A -2 6.696 -8.189 -9.039 1.00 0.00 C ATOM 159 NZ LYS A -2 7.520 -9.418 -9.217 1.00 0.00 N ATOM 0 H LYS A -2 4.308 -11.299 -10.146 1.00 0.00 H new ATOM 0 HA LYS A -2 1.816 -9.990 -9.726 1.00 0.00 H new ATOM 0 HB2 LYS A -2 3.205 -7.945 -9.908 1.00 0.00 H new ATOM 0 HB3 LYS A -2 4.023 -9.144 -8.925 1.00 0.00 H new ATOM 0 HG2 LYS A -2 5.439 -9.773 -10.910 1.00 0.00 H new ATOM 0 HG3 LYS A -2 4.646 -8.525 -11.851 1.00 0.00 H new ATOM 0 HD2 LYS A -2 6.737 -7.596 -11.113 1.00 0.00 H new ATOM 0 HD3 LYS A -2 5.486 -6.808 -10.173 1.00 0.00 H new ATOM 0 HE2 LYS A -2 7.333 -7.376 -8.691 1.00 0.00 H new ATOM 0 HE3 LYS A -2 5.950 -8.364 -8.264 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 8.093 -9.579 -8.364 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 6.896 -10.235 -9.374 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 8.148 -9.299 -10.038 1.00 0.00 H new ATOM 173 N GLY A -1 2.818 -10.148 -12.855 1.00 0.00 N ATOM 174 CA GLY A -1 2.432 -9.885 -14.247 1.00 0.00 C ATOM 175 C GLY A -1 2.556 -8.421 -14.646 1.00 0.00 C ATOM 176 O GLY A -1 1.767 -7.909 -15.448 1.00 0.00 O ATOM 0 H GLY A -1 3.654 -10.725 -12.758 1.00 0.00 H new ATOM 0 HA2 GLY A -1 3.055 -10.487 -14.908 1.00 0.00 H new ATOM 0 HA3 GLY A -1 1.402 -10.208 -14.397 1.00 0.00 H new ATOM 180 N THR A 0 3.571 -7.765 -14.082 1.00 0.00 N ATOM 181 CA THR A 0 3.843 -6.330 -14.273 1.00 0.00 C ATOM 182 C THR A 0 5.352 -6.075 -14.190 1.00 0.00 C ATOM 183 O THR A 0 6.102 -6.867 -13.603 1.00 0.00 O ATOM 184 CB THR A 0 3.087 -5.439 -13.216 1.00 0.00 C ATOM 185 OG1 THR A 0 3.048 -6.109 -11.947 1.00 0.00 O ATOM 186 CG2 THR A 0 1.656 -5.085 -13.648 1.00 0.00 C ATOM 0 H THR A 0 4.244 -8.221 -13.466 1.00 0.00 H new ATOM 0 HA THR A 0 3.473 -6.050 -15.260 1.00 0.00 H new ATOM 0 HB THR A 0 3.644 -4.506 -13.137 1.00 0.00 H new ATOM 0 HG1 THR A 0 2.331 -6.777 -11.952 1.00 0.00 H new ATOM 0 HG21 THR A 0 1.186 -4.470 -12.880 1.00 0.00 H new ATOM 0 HG22 THR A 0 1.686 -4.533 -14.587 1.00 0.00 H new ATOM 0 HG23 THR A 0 1.080 -6.000 -13.783 1.00 0.00 H new ATOM 194 N MET A 1 5.779 -4.950 -14.768 1.00 0.00 N ATOM 195 CA MET A 1 7.191 -4.562 -14.843 1.00 0.00 C ATOM 196 C MET A 1 7.306 -3.035 -14.778 1.00 0.00 C ATOM 197 O MET A 1 6.414 -2.325 -15.258 1.00 0.00 O ATOM 198 CB MET A 1 7.819 -5.123 -16.147 1.00 0.00 C ATOM 199 CG MET A 1 7.208 -4.582 -17.444 1.00 0.00 C ATOM 200 SD MET A 1 7.821 -5.439 -18.907 1.00 0.00 S ATOM 201 CE MET A 1 7.159 -4.411 -20.213 1.00 0.00 C ATOM 0 H MET A 1 5.149 -4.275 -15.202 1.00 0.00 H new ATOM 0 HA MET A 1 7.738 -4.981 -13.998 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.886 -4.899 -16.144 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.721 -6.209 -16.142 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.123 -4.678 -17.398 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.430 -3.518 -17.530 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.889 -5.035 -21.065 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.274 -3.888 -19.851 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.910 -3.683 -20.520 1.00 0.00 H new ATOM 211 N GLU A 2 8.385 -2.539 -14.144 1.00 0.00 N ATOM 212 CA GLU A 2 8.671 -1.099 -14.029 1.00 0.00 C ATOM 213 C GLU A 2 9.507 -0.634 -15.233 1.00 0.00 C ATOM 214 O GLU A 2 10.364 -1.368 -15.708 1.00 0.00 O ATOM 215 CB GLU A 2 9.407 -0.796 -12.695 1.00 0.00 C ATOM 216 CG GLU A 2 9.707 0.700 -12.447 1.00 0.00 C ATOM 217 CD GLU A 2 10.181 1.009 -11.014 1.00 0.00 C ATOM 218 OE1 GLU A 2 9.324 1.126 -10.114 1.00 0.00 O ATOM 219 OE2 GLU A 2 11.402 1.145 -10.784 1.00 0.00 O ATOM 0 H GLU A 2 9.085 -3.130 -13.696 1.00 0.00 H new ATOM 0 HA GLU A 2 7.730 -0.550 -14.026 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.804 -1.173 -11.869 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.347 -1.348 -12.681 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.471 1.030 -13.151 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.809 1.281 -12.656 1.00 0.00 H new ATOM 226 N LEU A 3 9.217 0.577 -15.750 1.00 0.00 N ATOM 227 CA LEU A 3 9.921 1.160 -16.915 1.00 0.00 C ATOM 228 C LEU A 3 10.265 2.628 -16.617 1.00 0.00 C ATOM 229 O LEU A 3 9.428 3.351 -16.079 1.00 0.00 O ATOM 230 CB LEU A 3 9.054 1.092 -18.217 1.00 0.00 C ATOM 231 CG LEU A 3 8.439 -0.300 -18.604 1.00 0.00 C ATOM 232 CD1 LEU A 3 7.137 -0.591 -17.829 1.00 0.00 C ATOM 233 CD2 LEU A 3 8.207 -0.408 -20.122 1.00 0.00 C ATOM 0 H LEU A 3 8.487 1.181 -15.372 1.00 0.00 H new ATOM 0 HA LEU A 3 10.827 0.577 -17.083 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.236 1.805 -18.114 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.670 1.431 -19.050 1.00 0.00 H new ATOM 0 HG LEU A 3 9.167 -1.058 -18.317 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.746 -1.564 -18.127 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.344 -0.596 -16.759 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.400 0.181 -18.053 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.781 -1.383 -20.356 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.519 0.375 -20.442 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.157 -0.292 -20.644 1.00 0.00 H new ATOM 245 N GLU A 4 11.475 3.078 -16.984 1.00 0.00 N ATOM 246 CA GLU A 4 11.882 4.479 -16.790 1.00 0.00 C ATOM 247 C GLU A 4 11.486 5.296 -18.028 1.00 0.00 C ATOM 248 O GLU A 4 12.126 5.204 -19.073 1.00 0.00 O ATOM 249 CB GLU A 4 13.403 4.589 -16.530 1.00 0.00 C ATOM 250 CG GLU A 4 13.912 6.032 -16.303 1.00 0.00 C ATOM 251 CD GLU A 4 15.403 6.109 -15.932 1.00 0.00 C ATOM 252 OE1 GLU A 4 16.225 5.458 -16.608 1.00 0.00 O ATOM 253 OE2 GLU A 4 15.767 6.815 -14.969 1.00 0.00 O ATOM 0 H GLU A 4 12.189 2.492 -17.417 1.00 0.00 H new ATOM 0 HA GLU A 4 11.371 4.876 -15.913 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.654 3.987 -15.657 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.936 4.158 -17.378 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.741 6.615 -17.208 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.325 6.495 -15.510 1.00 0.00 H new ATOM 260 N LEU A 5 10.419 6.095 -17.909 1.00 0.00 N ATOM 261 CA LEU A 5 9.912 6.876 -19.042 1.00 0.00 C ATOM 262 C LEU A 5 10.524 8.267 -19.013 1.00 0.00 C ATOM 263 O LEU A 5 10.162 9.113 -18.192 1.00 0.00 O ATOM 264 CB LEU A 5 8.376 6.943 -19.026 1.00 0.00 C ATOM 265 CG LEU A 5 7.635 5.587 -18.868 1.00 0.00 C ATOM 266 CD1 LEU A 5 6.126 5.788 -19.018 1.00 0.00 C ATOM 267 CD2 LEU A 5 8.157 4.508 -19.846 1.00 0.00 C ATOM 0 H LEU A 5 9.893 6.217 -17.044 1.00 0.00 H new ATOM 0 HA LEU A 5 10.202 6.383 -19.970 1.00 0.00 H new ATOM 0 HB2 LEU A 5 8.070 7.599 -18.211 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.043 7.410 -19.953 1.00 0.00 H new ATOM 0 HG LEU A 5 7.843 5.217 -17.864 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.618 4.830 -18.905 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.773 6.478 -18.252 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.910 6.199 -20.004 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.605 3.581 -19.693 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.017 4.849 -20.872 1.00 0.00 H new ATOM 0 HD23 LEU A 5 9.217 4.333 -19.663 1.00 0.00 H new ATOM 279 N ARG A 6 11.488 8.468 -19.909 1.00 0.00 N ATOM 280 CA ARG A 6 12.222 9.717 -20.042 1.00 0.00 C ATOM 281 C ARG A 6 11.507 10.596 -21.083 1.00 0.00 C ATOM 282 O ARG A 6 11.381 10.210 -22.231 1.00 0.00 O ATOM 283 CB ARG A 6 13.684 9.402 -20.456 1.00 0.00 C ATOM 284 CG ARG A 6 14.440 8.466 -19.478 1.00 0.00 C ATOM 285 CD ARG A 6 15.844 8.103 -19.987 1.00 0.00 C ATOM 286 NE ARG A 6 16.613 7.286 -19.029 1.00 0.00 N ATOM 287 CZ ARG A 6 17.952 7.236 -18.958 1.00 0.00 C ATOM 288 NH1 ARG A 6 18.708 7.986 -19.753 1.00 0.00 N ATOM 289 NH2 ARG A 6 18.531 6.444 -18.073 1.00 0.00 N ATOM 0 H ARG A 6 11.783 7.752 -20.573 1.00 0.00 H new ATOM 0 HA ARG A 6 12.252 10.260 -19.098 1.00 0.00 H new ATOM 0 HB2 ARG A 6 13.678 8.945 -21.445 1.00 0.00 H new ATOM 0 HB3 ARG A 6 14.234 10.339 -20.541 1.00 0.00 H new ATOM 0 HG2 ARG A 6 14.523 8.951 -18.505 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.862 7.554 -19.331 1.00 0.00 H new ATOM 0 HD2 ARG A 6 15.754 7.560 -20.928 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.395 9.019 -20.199 1.00 0.00 H new ATOM 0 HE ARG A 6 16.086 6.714 -18.369 1.00 0.00 H new ATOM 0 HH11 ARG A 6 18.272 8.612 -20.430 1.00 0.00 H new ATOM 0 HH12 ARG A 6 19.725 7.936 -19.686 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.961 5.874 -17.448 1.00 0.00 H new ATOM 0 HH22 ARG A 6 19.548 6.402 -18.015 1.00 0.00 H new ATOM 303 N PHE A 7 11.016 11.758 -20.649 1.00 0.00 N ATOM 304 CA PHE A 7 10.321 12.735 -21.515 1.00 0.00 C ATOM 305 C PHE A 7 11.256 13.904 -21.804 1.00 0.00 C ATOM 306 O PHE A 7 11.958 14.373 -20.901 1.00 0.00 O ATOM 307 CB PHE A 7 9.032 13.245 -20.835 1.00 0.00 C ATOM 308 CG PHE A 7 8.061 12.142 -20.463 1.00 0.00 C ATOM 309 CD1 PHE A 7 7.124 11.664 -21.378 1.00 0.00 C ATOM 310 CD2 PHE A 7 8.104 11.566 -19.206 1.00 0.00 C ATOM 311 CE1 PHE A 7 6.264 10.636 -21.045 1.00 0.00 C ATOM 312 CE2 PHE A 7 7.243 10.547 -18.874 1.00 0.00 C ATOM 313 CZ PHE A 7 6.325 10.078 -19.788 1.00 0.00 C ATOM 0 H PHE A 7 11.086 12.058 -19.677 1.00 0.00 H new ATOM 0 HA PHE A 7 10.044 12.247 -22.449 1.00 0.00 H new ATOM 0 HB2 PHE A 7 9.301 13.798 -19.935 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.532 13.946 -21.503 1.00 0.00 H new ATOM 0 HD1 PHE A 7 7.070 12.105 -22.363 1.00 0.00 H new ATOM 0 HD2 PHE A 7 8.820 11.920 -18.479 1.00 0.00 H new ATOM 0 HE1 PHE A 7 5.548 10.272 -21.767 1.00 0.00 H new ATOM 0 HE2 PHE A 7 7.287 10.110 -17.887 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.655 9.275 -19.519 1.00 0.00 H new ATOM 323 N PHE A 8 11.273 14.365 -23.064 1.00 0.00 N ATOM 324 CA PHE A 8 12.120 15.498 -23.493 1.00 0.00 C ATOM 325 C PHE A 8 11.293 16.525 -24.265 1.00 0.00 C ATOM 326 O PHE A 8 10.177 16.231 -24.712 1.00 0.00 O ATOM 327 CB PHE A 8 13.327 15.003 -24.327 1.00 0.00 C ATOM 328 CG PHE A 8 14.174 13.991 -23.566 1.00 0.00 C ATOM 329 CD1 PHE A 8 15.024 14.398 -22.539 1.00 0.00 C ATOM 330 CD2 PHE A 8 14.073 12.630 -23.838 1.00 0.00 C ATOM 331 CE1 PHE A 8 15.737 13.472 -21.803 1.00 0.00 C ATOM 332 CE2 PHE A 8 14.793 11.712 -23.116 1.00 0.00 C ATOM 333 CZ PHE A 8 15.626 12.129 -22.095 1.00 0.00 C ATOM 0 H PHE A 8 10.705 13.969 -23.813 1.00 0.00 H new ATOM 0 HA PHE A 8 12.515 15.987 -22.603 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.967 14.551 -25.252 1.00 0.00 H new ATOM 0 HB3 PHE A 8 13.946 15.855 -24.608 1.00 0.00 H new ATOM 0 HD1 PHE A 8 15.126 15.450 -22.316 1.00 0.00 H new ATOM 0 HD2 PHE A 8 13.419 12.292 -24.628 1.00 0.00 H new ATOM 0 HE1 PHE A 8 16.381 13.799 -21.000 1.00 0.00 H new ATOM 0 HE2 PHE A 8 14.709 10.660 -23.346 1.00 0.00 H new ATOM 0 HZ PHE A 8 16.189 11.404 -21.527 1.00 0.00 H new ATOM 343 N ALA A 9 11.850 17.746 -24.336 1.00 0.00 N ATOM 344 CA ALA A 9 11.283 18.883 -25.064 1.00 0.00 C ATOM 345 C ALA A 9 9.849 19.245 -24.569 1.00 0.00 C ATOM 346 O ALA A 9 9.688 19.563 -23.383 1.00 0.00 O ATOM 347 CB ALA A 9 11.388 18.638 -26.572 1.00 0.00 C ATOM 0 H ALA A 9 12.731 17.971 -23.874 1.00 0.00 H new ATOM 0 HA ALA A 9 11.870 19.775 -24.848 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.965 19.487 -27.109 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.435 18.519 -26.849 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.839 17.733 -26.833 1.00 0.00 H new ATOM 353 N THR A 10 8.820 19.171 -25.456 1.00 0.00 N ATOM 354 CA THR A 10 7.427 19.501 -25.102 1.00 0.00 C ATOM 355 C THR A 10 6.840 18.426 -24.178 1.00 0.00 C ATOM 356 O THR A 10 6.286 18.745 -23.140 1.00 0.00 O ATOM 357 CB THR A 10 6.524 19.644 -26.374 1.00 0.00 C ATOM 358 OG1 THR A 10 7.200 20.447 -27.357 1.00 0.00 O ATOM 359 CG2 THR A 10 5.151 20.273 -26.045 1.00 0.00 C ATOM 0 H THR A 10 8.939 18.882 -26.427 1.00 0.00 H new ATOM 0 HA THR A 10 7.444 20.460 -24.584 1.00 0.00 H new ATOM 0 HB THR A 10 6.343 18.643 -26.765 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.635 20.534 -28.153 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.559 20.352 -26.957 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.626 19.645 -25.325 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.298 21.266 -25.620 1.00 0.00 H new ATOM 367 N PHE A 11 7.030 17.141 -24.553 1.00 0.00 N ATOM 368 CA PHE A 11 6.502 15.986 -23.783 1.00 0.00 C ATOM 369 C PHE A 11 7.035 15.996 -22.330 1.00 0.00 C ATOM 370 O PHE A 11 6.382 15.479 -21.420 1.00 0.00 O ATOM 371 CB PHE A 11 6.863 14.634 -24.482 1.00 0.00 C ATOM 372 CG PHE A 11 6.140 14.318 -25.808 1.00 0.00 C ATOM 373 CD1 PHE A 11 5.327 15.251 -26.453 1.00 0.00 C ATOM 374 CD2 PHE A 11 6.283 13.062 -26.407 1.00 0.00 C ATOM 375 CE1 PHE A 11 4.685 14.934 -27.635 1.00 0.00 C ATOM 376 CE2 PHE A 11 5.637 12.752 -27.592 1.00 0.00 C ATOM 377 CZ PHE A 11 4.840 13.688 -28.204 1.00 0.00 C ATOM 0 H PHE A 11 7.548 16.874 -25.390 1.00 0.00 H new ATOM 0 HA PHE A 11 5.416 16.080 -23.752 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.936 14.626 -24.671 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.656 13.825 -23.782 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.198 16.233 -26.023 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.910 12.319 -25.936 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.057 15.668 -28.117 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.760 11.775 -28.035 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.336 13.449 -29.129 1.00 0.00 H new ATOM 387 N ARG A 12 8.226 16.609 -22.135 1.00 0.00 N ATOM 388 CA ARG A 12 8.837 16.781 -20.806 1.00 0.00 C ATOM 389 C ARG A 12 8.012 17.732 -19.930 1.00 0.00 C ATOM 390 O ARG A 12 7.614 17.371 -18.820 1.00 0.00 O ATOM 391 CB ARG A 12 10.273 17.323 -20.944 1.00 0.00 C ATOM 392 CG ARG A 12 10.993 17.579 -19.604 1.00 0.00 C ATOM 393 CD ARG A 12 12.365 18.252 -19.777 1.00 0.00 C ATOM 394 NE ARG A 12 12.289 19.487 -20.593 1.00 0.00 N ATOM 395 CZ ARG A 12 12.128 20.738 -20.118 1.00 0.00 C ATOM 396 NH1 ARG A 12 11.934 20.965 -18.822 1.00 0.00 N ATOM 397 NH2 ARG A 12 12.148 21.759 -20.955 1.00 0.00 N ATOM 0 H ARG A 12 8.785 16.996 -22.896 1.00 0.00 H new ATOM 0 HA ARG A 12 8.861 15.803 -20.325 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.860 16.614 -21.528 1.00 0.00 H new ATOM 0 HB3 ARG A 12 10.243 18.254 -21.509 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.363 18.207 -18.974 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.123 16.632 -19.081 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.775 18.492 -18.796 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.054 17.551 -20.247 1.00 0.00 H new ATOM 0 HE ARG A 12 12.365 19.381 -21.605 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.905 20.184 -18.166 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.814 21.920 -18.484 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.285 21.598 -21.953 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.027 22.709 -20.604 1.00 0.00 H new ATOM 411 N GLU A 13 7.754 18.944 -20.457 1.00 0.00 N ATOM 412 CA GLU A 13 7.058 20.009 -19.705 1.00 0.00 C ATOM 413 C GLU A 13 5.550 19.724 -19.573 1.00 0.00 C ATOM 414 O GLU A 13 4.873 20.328 -18.734 1.00 0.00 O ATOM 415 CB GLU A 13 7.366 21.409 -20.321 1.00 0.00 C ATOM 416 CG GLU A 13 6.981 21.616 -21.809 1.00 0.00 C ATOM 417 CD GLU A 13 5.497 21.968 -22.037 1.00 0.00 C ATOM 418 OE1 GLU A 13 5.108 23.119 -21.746 1.00 0.00 O ATOM 419 OE2 GLU A 13 4.718 21.109 -22.498 1.00 0.00 O ATOM 0 H GLU A 13 8.018 19.212 -21.405 1.00 0.00 H new ATOM 0 HA GLU A 13 7.445 20.019 -18.686 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.849 22.163 -19.728 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.434 21.599 -20.216 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.599 22.412 -22.225 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.216 20.707 -22.363 1.00 0.00 H new ATOM 426 N VAL A 14 5.036 18.813 -20.428 1.00 0.00 N ATOM 427 CA VAL A 14 3.676 18.249 -20.295 1.00 0.00 C ATOM 428 C VAL A 14 3.571 17.453 -18.978 1.00 0.00 C ATOM 429 O VAL A 14 2.695 17.706 -18.140 1.00 0.00 O ATOM 430 CB VAL A 14 3.314 17.302 -21.504 1.00 0.00 C ATOM 431 CG1 VAL A 14 2.010 16.527 -21.230 1.00 0.00 C ATOM 432 CG2 VAL A 14 3.213 18.079 -22.840 1.00 0.00 C ATOM 0 H VAL A 14 5.552 18.449 -21.229 1.00 0.00 H new ATOM 0 HA VAL A 14 2.971 19.081 -20.292 1.00 0.00 H new ATOM 0 HB VAL A 14 4.129 16.585 -21.601 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.785 15.882 -22.079 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.130 15.918 -20.334 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.192 17.232 -21.082 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.962 17.388 -23.645 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.437 18.840 -22.760 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.169 18.556 -23.056 1.00 0.00 H new ATOM 442 N VAL A 15 4.491 16.495 -18.831 1.00 0.00 N ATOM 443 CA VAL A 15 4.566 15.606 -17.661 1.00 0.00 C ATOM 444 C VAL A 15 5.179 16.356 -16.449 1.00 0.00 C ATOM 445 O VAL A 15 5.017 15.941 -15.295 1.00 0.00 O ATOM 446 CB VAL A 15 5.365 14.297 -18.048 1.00 0.00 C ATOM 447 CG1 VAL A 15 5.488 13.294 -16.873 1.00 0.00 C ATOM 448 CG2 VAL A 15 4.698 13.614 -19.274 1.00 0.00 C ATOM 0 H VAL A 15 5.214 16.311 -19.527 1.00 0.00 H new ATOM 0 HA VAL A 15 3.565 15.300 -17.356 1.00 0.00 H new ATOM 0 HB VAL A 15 6.379 14.604 -18.302 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.046 12.417 -17.200 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.012 13.768 -16.043 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.493 12.990 -16.548 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.253 12.713 -19.535 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.670 13.348 -19.028 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.702 14.301 -20.120 1.00 0.00 H new ATOM 458 N GLY A 16 5.832 17.502 -16.736 1.00 0.00 N ATOM 459 CA GLY A 16 6.427 18.368 -15.714 1.00 0.00 C ATOM 460 C GLY A 16 7.725 17.819 -15.133 1.00 0.00 C ATOM 461 O GLY A 16 8.169 18.276 -14.075 1.00 0.00 O ATOM 0 H GLY A 16 5.958 17.847 -17.687 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.619 19.350 -16.147 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.709 18.511 -14.907 1.00 0.00 H new ATOM 465 N GLN A 17 8.338 16.851 -15.845 1.00 0.00 N ATOM 466 CA GLN A 17 9.525 16.102 -15.374 1.00 0.00 C ATOM 467 C GLN A 17 10.162 15.320 -16.540 1.00 0.00 C ATOM 468 O GLN A 17 9.467 14.929 -17.491 1.00 0.00 O ATOM 469 CB GLN A 17 9.149 15.177 -14.166 1.00 0.00 C ATOM 470 CG GLN A 17 7.812 14.415 -14.333 1.00 0.00 C ATOM 471 CD GLN A 17 7.144 14.005 -13.015 1.00 0.00 C ATOM 472 OE1 GLN A 17 7.350 14.637 -11.977 1.00 0.00 O ATOM 473 NE2 GLN A 17 6.294 12.991 -13.057 1.00 0.00 N ATOM 0 H GLN A 17 8.022 16.564 -16.771 1.00 0.00 H new ATOM 0 HA GLN A 17 10.274 16.807 -15.012 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.949 14.452 -14.017 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.096 15.784 -13.262 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.120 15.040 -14.897 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.991 13.520 -14.929 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.144 12.487 -13.931 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.789 12.714 -12.215 1.00 0.00 H new ATOM 482 N LYS A 18 11.498 15.113 -16.454 1.00 0.00 N ATOM 483 CA LYS A 18 12.323 14.611 -17.577 1.00 0.00 C ATOM 484 C LYS A 18 12.452 13.080 -17.596 1.00 0.00 C ATOM 485 O LYS A 18 12.790 12.516 -18.635 1.00 0.00 O ATOM 486 CB LYS A 18 13.735 15.262 -17.551 1.00 0.00 C ATOM 487 CG LYS A 18 14.544 15.018 -16.255 1.00 0.00 C ATOM 488 CD LYS A 18 15.979 15.592 -16.328 1.00 0.00 C ATOM 489 CE LYS A 18 16.842 14.896 -17.403 1.00 0.00 C ATOM 490 NZ LYS A 18 18.213 15.461 -17.474 1.00 0.00 N ATOM 0 H LYS A 18 12.033 15.290 -15.604 1.00 0.00 H new ATOM 0 HA LYS A 18 11.802 14.897 -18.491 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.309 14.883 -18.396 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.626 16.337 -17.696 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.019 15.470 -15.414 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.595 13.947 -16.060 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.929 16.660 -16.542 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.460 15.484 -15.356 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.901 13.830 -17.185 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.359 14.996 -18.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.756 14.964 -18.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.160 16.473 -17.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.685 15.343 -16.555 1.00 0.00 H new ATOM 504 N SER A 19 12.245 12.423 -16.448 1.00 0.00 N ATOM 505 CA SER A 19 12.258 10.946 -16.344 1.00 0.00 C ATOM 506 C SER A 19 11.403 10.523 -15.139 1.00 0.00 C ATOM 507 O SER A 19 11.490 11.140 -14.067 1.00 0.00 O ATOM 508 CB SER A 19 13.700 10.382 -16.162 1.00 0.00 C ATOM 509 OG SER A 19 14.638 10.988 -17.046 1.00 0.00 O ATOM 0 H SER A 19 12.063 12.894 -15.562 1.00 0.00 H new ATOM 0 HA SER A 19 11.855 10.543 -17.273 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.021 10.540 -15.132 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.690 9.305 -16.331 1.00 0.00 H new ATOM 0 HG SER A 19 15.527 10.604 -16.894 1.00 0.00 H new ATOM 515 N ILE A 20 10.586 9.481 -15.322 1.00 0.00 N ATOM 516 CA ILE A 20 9.743 8.895 -14.260 1.00 0.00 C ATOM 517 C ILE A 20 9.950 7.381 -14.234 1.00 0.00 C ATOM 518 O ILE A 20 10.678 6.836 -15.066 1.00 0.00 O ATOM 519 CB ILE A 20 8.211 9.211 -14.486 1.00 0.00 C ATOM 520 CG1 ILE A 20 7.669 8.484 -15.752 1.00 0.00 C ATOM 521 CG2 ILE A 20 7.974 10.730 -14.591 1.00 0.00 C ATOM 522 CD1 ILE A 20 6.216 8.785 -16.085 1.00 0.00 C ATOM 0 H ILE A 20 10.486 9.010 -16.221 1.00 0.00 H new ATOM 0 HA ILE A 20 10.039 9.338 -13.309 1.00 0.00 H new ATOM 0 HB ILE A 20 7.663 8.837 -13.621 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.288 8.760 -16.606 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.780 7.409 -15.612 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.912 10.923 -14.746 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.300 11.214 -13.670 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.542 11.130 -15.431 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.927 8.235 -16.981 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.581 8.482 -15.252 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.097 9.854 -16.261 1.00 0.00 H new ATOM 534 N TYR A 21 9.304 6.706 -13.280 1.00 0.00 N ATOM 535 CA TYR A 21 9.215 5.245 -13.249 1.00 0.00 C ATOM 536 C TYR A 21 7.733 4.848 -13.245 1.00 0.00 C ATOM 537 O TYR A 21 7.008 5.098 -12.275 1.00 0.00 O ATOM 538 CB TYR A 21 9.962 4.683 -12.013 1.00 0.00 C ATOM 539 CG TYR A 21 11.476 4.956 -12.042 1.00 0.00 C ATOM 540 CD1 TYR A 21 12.335 4.157 -12.802 1.00 0.00 C ATOM 541 CD2 TYR A 21 12.044 6.016 -11.328 1.00 0.00 C ATOM 542 CE1 TYR A 21 13.694 4.396 -12.835 1.00 0.00 C ATOM 543 CE2 TYR A 21 13.405 6.254 -11.363 1.00 0.00 C ATOM 544 CZ TYR A 21 14.222 5.448 -12.120 1.00 0.00 C ATOM 545 OH TYR A 21 15.579 5.694 -12.158 1.00 0.00 O ATOM 0 H TYR A 21 8.825 7.161 -12.503 1.00 0.00 H new ATOM 0 HA TYR A 21 9.694 4.819 -14.131 1.00 0.00 H new ATOM 0 HB2 TYR A 21 9.538 5.122 -11.110 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.795 3.608 -11.954 1.00 0.00 H new ATOM 0 HD1 TYR A 21 11.927 3.337 -13.374 1.00 0.00 H new ATOM 0 HD2 TYR A 21 11.408 6.660 -10.739 1.00 0.00 H new ATOM 0 HE1 TYR A 21 14.342 3.760 -13.420 1.00 0.00 H new ATOM 0 HE2 TYR A 21 13.826 7.072 -10.797 1.00 0.00 H new ATOM 0 HH TYR A 21 15.816 6.086 -13.024 1.00 0.00 H new ATOM 555 N TRP A 22 7.298 4.250 -14.357 1.00 0.00 N ATOM 556 CA TRP A 22 5.951 3.684 -14.540 1.00 0.00 C ATOM 557 C TRP A 22 5.994 2.188 -14.247 1.00 0.00 C ATOM 558 O TRP A 22 7.053 1.630 -13.968 1.00 0.00 O ATOM 559 CB TRP A 22 5.459 3.925 -16.004 1.00 0.00 C ATOM 560 CG TRP A 22 4.347 4.934 -16.159 1.00 0.00 C ATOM 561 CD1 TRP A 22 4.237 6.156 -15.574 1.00 0.00 C ATOM 562 CD2 TRP A 22 3.205 4.796 -17.001 1.00 0.00 C ATOM 563 NE1 TRP A 22 3.111 6.795 -16.027 1.00 0.00 N ATOM 564 CE2 TRP A 22 2.450 5.972 -16.888 1.00 0.00 C ATOM 565 CE3 TRP A 22 2.749 3.784 -17.832 1.00 0.00 C ATOM 566 CZ2 TRP A 22 1.278 6.171 -17.601 1.00 0.00 C ATOM 567 CZ3 TRP A 22 1.578 3.979 -18.526 1.00 0.00 C ATOM 568 CH2 TRP A 22 0.854 5.162 -18.396 1.00 0.00 C ATOM 0 H TRP A 22 7.888 4.141 -15.182 1.00 0.00 H new ATOM 0 HA TRP A 22 5.258 4.172 -13.855 1.00 0.00 H new ATOM 0 HB2 TRP A 22 6.308 4.251 -16.605 1.00 0.00 H new ATOM 0 HB3 TRP A 22 5.123 2.974 -16.417 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.934 6.564 -14.857 1.00 0.00 H new ATOM 0 HE1 TRP A 22 2.816 7.735 -15.762 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.302 2.862 -17.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 0.725 7.096 -17.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.214 3.203 -19.182 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.070 5.277 -18.944 1.00 0.00 H new ATOM 579 N ARG A 23 4.826 1.555 -14.322 1.00 0.00 N ATOM 580 CA ARG A 23 4.680 0.116 -14.180 1.00 0.00 C ATOM 581 C ARG A 23 3.394 -0.314 -14.875 1.00 0.00 C ATOM 582 O ARG A 23 2.288 -0.017 -14.402 1.00 0.00 O ATOM 583 CB ARG A 23 4.700 -0.294 -12.686 1.00 0.00 C ATOM 584 CG ARG A 23 4.467 -1.801 -12.417 1.00 0.00 C ATOM 585 CD ARG A 23 4.785 -2.191 -10.965 1.00 0.00 C ATOM 586 NE ARG A 23 4.238 -3.507 -10.604 1.00 0.00 N ATOM 587 CZ ARG A 23 4.615 -4.238 -9.551 1.00 0.00 C ATOM 588 NH1 ARG A 23 5.677 -3.899 -8.836 1.00 0.00 N ATOM 589 NH2 ARG A 23 3.935 -5.327 -9.236 1.00 0.00 N ATOM 0 H ARG A 23 3.943 2.039 -14.486 1.00 0.00 H new ATOM 0 HA ARG A 23 5.520 -0.394 -14.652 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.662 -0.009 -12.260 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.936 0.276 -12.158 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.430 -2.051 -12.639 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.088 -2.389 -13.093 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.866 -2.198 -10.822 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.380 -1.435 -10.292 1.00 0.00 H new ATOM 0 HE ARG A 23 3.511 -3.894 -11.207 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.218 -3.071 -9.087 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.954 -4.466 -8.034 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.128 -5.604 -9.795 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.217 -5.890 -8.434 1.00 0.00 H new ATOM 603 N VAL A 24 3.560 -0.987 -16.017 1.00 0.00 N ATOM 604 CA VAL A 24 2.451 -1.542 -16.810 1.00 0.00 C ATOM 605 C VAL A 24 2.527 -3.066 -16.765 1.00 0.00 C ATOM 606 O VAL A 24 3.422 -3.628 -16.118 1.00 0.00 O ATOM 607 CB VAL A 24 2.483 -1.054 -18.318 1.00 0.00 C ATOM 608 CG1 VAL A 24 2.151 0.443 -18.438 1.00 0.00 C ATOM 609 CG2 VAL A 24 3.839 -1.374 -18.997 1.00 0.00 C ATOM 0 H VAL A 24 4.478 -1.166 -16.425 1.00 0.00 H new ATOM 0 HA VAL A 24 1.517 -1.186 -16.375 1.00 0.00 H new ATOM 0 HB VAL A 24 1.708 -1.611 -18.846 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.183 0.740 -19.486 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.154 0.628 -18.039 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.881 1.024 -17.874 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.821 -1.024 -20.029 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.643 -0.873 -18.458 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.008 -2.451 -18.982 1.00 0.00 H new ATOM 619 N ASP A 25 1.568 -3.722 -17.433 1.00 0.00 N ATOM 620 CA ASP A 25 1.546 -5.185 -17.591 1.00 0.00 C ATOM 621 C ASP A 25 2.867 -5.678 -18.237 1.00 0.00 C ATOM 622 O ASP A 25 3.484 -4.950 -19.024 1.00 0.00 O ATOM 623 CB ASP A 25 0.308 -5.594 -18.431 1.00 0.00 C ATOM 624 CG ASP A 25 0.046 -7.110 -18.414 1.00 0.00 C ATOM 625 OD1 ASP A 25 -0.630 -7.591 -17.484 1.00 0.00 O ATOM 626 OD2 ASP A 25 0.533 -7.828 -19.313 1.00 0.00 O ATOM 0 H ASP A 25 0.782 -3.252 -17.881 1.00 0.00 H new ATOM 0 HA ASP A 25 1.467 -5.659 -16.613 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.571 -5.074 -18.050 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.450 -5.267 -19.461 1.00 0.00 H new ATOM 631 N ASP A 26 3.302 -6.897 -17.887 1.00 0.00 N ATOM 632 CA ASP A 26 4.599 -7.437 -18.340 1.00 0.00 C ATOM 633 C ASP A 26 4.609 -7.675 -19.871 1.00 0.00 C ATOM 634 O ASP A 26 5.668 -7.623 -20.507 1.00 0.00 O ATOM 635 CB ASP A 26 4.913 -8.733 -17.565 1.00 0.00 C ATOM 636 CG ASP A 26 6.303 -9.312 -17.861 1.00 0.00 C ATOM 637 OD1 ASP A 26 7.275 -8.897 -17.202 1.00 0.00 O ATOM 638 OD2 ASP A 26 6.426 -10.198 -18.742 1.00 0.00 O ATOM 0 H ASP A 26 2.774 -7.533 -17.289 1.00 0.00 H new ATOM 0 HA ASP A 26 5.379 -6.704 -18.132 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.833 -8.534 -16.496 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.159 -9.482 -17.808 1.00 0.00 H new ATOM 643 N ASP A 27 3.414 -7.901 -20.454 1.00 0.00 N ATOM 644 CA ASP A 27 3.252 -8.088 -21.919 1.00 0.00 C ATOM 645 C ASP A 27 3.216 -6.725 -22.638 1.00 0.00 C ATOM 646 O ASP A 27 3.573 -6.639 -23.820 1.00 0.00 O ATOM 647 CB ASP A 27 1.938 -8.879 -22.223 1.00 0.00 C ATOM 648 CG ASP A 27 1.634 -9.041 -23.736 1.00 0.00 C ATOM 649 OD1 ASP A 27 2.151 -9.989 -24.366 1.00 0.00 O ATOM 650 OD2 ASP A 27 0.886 -8.210 -24.302 1.00 0.00 O ATOM 0 H ASP A 27 2.539 -7.959 -19.933 1.00 0.00 H new ATOM 0 HA ASP A 27 4.105 -8.658 -22.287 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.008 -9.868 -21.769 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.101 -8.369 -21.747 1.00 0.00 H new ATOM 655 N ALA A 28 2.820 -5.668 -21.901 1.00 0.00 N ATOM 656 CA ALA A 28 2.609 -4.322 -22.463 1.00 0.00 C ATOM 657 C ALA A 28 3.923 -3.738 -23.016 1.00 0.00 C ATOM 658 O ALA A 28 4.950 -3.732 -22.340 1.00 0.00 O ATOM 659 CB ALA A 28 1.986 -3.390 -21.414 1.00 0.00 C ATOM 0 H ALA A 28 2.638 -5.725 -20.899 1.00 0.00 H new ATOM 0 HA ALA A 28 1.912 -4.408 -23.296 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.838 -2.401 -21.848 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.025 -3.793 -21.094 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.652 -3.313 -20.554 1.00 0.00 H new ATOM 665 N THR A 29 3.862 -3.262 -24.265 1.00 0.00 N ATOM 666 CA THR A 29 5.024 -2.779 -25.026 1.00 0.00 C ATOM 667 C THR A 29 4.928 -1.251 -25.243 1.00 0.00 C ATOM 668 O THR A 29 4.058 -0.613 -24.653 1.00 0.00 O ATOM 669 CB THR A 29 5.150 -3.545 -26.376 1.00 0.00 C ATOM 670 OG1 THR A 29 3.971 -3.349 -27.169 1.00 0.00 O ATOM 671 CG2 THR A 29 5.374 -5.055 -26.171 1.00 0.00 C ATOM 0 H THR A 29 2.988 -3.200 -24.787 1.00 0.00 H new ATOM 0 HA THR A 29 5.929 -2.976 -24.451 1.00 0.00 H new ATOM 0 HB THR A 29 6.022 -3.140 -26.890 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.145 -2.667 -27.851 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.456 -5.546 -27.141 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.293 -5.213 -25.606 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.533 -5.476 -25.621 1.00 0.00 H new ATOM 679 N VAL A 30 5.859 -0.671 -26.061 1.00 0.00 N ATOM 680 CA VAL A 30 6.031 0.809 -26.208 1.00 0.00 C ATOM 681 C VAL A 30 4.697 1.512 -26.505 1.00 0.00 C ATOM 682 O VAL A 30 4.391 2.557 -25.930 1.00 0.00 O ATOM 683 CB VAL A 30 7.060 1.197 -27.342 1.00 0.00 C ATOM 684 CG1 VAL A 30 7.320 2.732 -27.380 1.00 0.00 C ATOM 685 CG2 VAL A 30 8.385 0.426 -27.209 1.00 0.00 C ATOM 0 H VAL A 30 6.507 -1.213 -26.633 1.00 0.00 H new ATOM 0 HA VAL A 30 6.422 1.146 -25.248 1.00 0.00 H new ATOM 0 HB VAL A 30 6.603 0.907 -28.288 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.033 2.961 -28.172 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.383 3.255 -27.572 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.726 3.056 -26.422 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.062 0.725 -28.010 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.842 0.651 -26.245 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.192 -0.644 -27.278 1.00 0.00 H new ATOM 695 N GLY A 31 3.902 0.877 -27.371 1.00 0.00 N ATOM 696 CA GLY A 31 2.601 1.384 -27.756 1.00 0.00 C ATOM 697 C GLY A 31 1.615 1.405 -26.599 1.00 0.00 C ATOM 698 O GLY A 31 0.901 2.387 -26.418 1.00 0.00 O ATOM 0 H GLY A 31 4.152 -0.004 -27.820 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.711 2.393 -28.153 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.199 0.768 -28.560 1.00 0.00 H new ATOM 702 N ASP A 32 1.605 0.315 -25.808 1.00 0.00 N ATOM 703 CA ASP A 32 0.745 0.189 -24.611 1.00 0.00 C ATOM 704 C ASP A 32 1.096 1.237 -23.553 1.00 0.00 C ATOM 705 O ASP A 32 0.221 1.705 -22.817 1.00 0.00 O ATOM 706 CB ASP A 32 0.851 -1.215 -23.984 1.00 0.00 C ATOM 707 CG ASP A 32 0.305 -2.312 -24.894 1.00 0.00 C ATOM 708 OD1 ASP A 32 -0.910 -2.586 -24.840 1.00 0.00 O ATOM 709 OD2 ASP A 32 1.076 -2.879 -25.688 1.00 0.00 O ATOM 0 H ASP A 32 2.191 -0.502 -25.978 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.279 0.353 -24.948 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.895 -1.427 -23.753 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.307 -1.228 -23.040 1.00 0.00 H new ATOM 714 N VAL A 33 2.385 1.577 -23.489 1.00 0.00 N ATOM 715 CA VAL A 33 2.893 2.630 -22.612 1.00 0.00 C ATOM 716 C VAL A 33 2.299 3.990 -23.035 1.00 0.00 C ATOM 717 O VAL A 33 1.535 4.581 -22.271 1.00 0.00 O ATOM 718 CB VAL A 33 4.475 2.643 -22.641 1.00 0.00 C ATOM 719 CG1 VAL A 33 5.070 3.834 -21.865 1.00 0.00 C ATOM 720 CG2 VAL A 33 5.038 1.301 -22.098 1.00 0.00 C ATOM 0 H VAL A 33 3.109 1.126 -24.048 1.00 0.00 H new ATOM 0 HA VAL A 33 2.585 2.435 -21.585 1.00 0.00 H new ATOM 0 HB VAL A 33 4.775 2.762 -23.682 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.158 3.795 -21.917 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.719 4.767 -22.306 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.754 3.784 -20.823 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.127 1.326 -22.125 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.703 1.155 -21.071 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.679 0.479 -22.717 1.00 0.00 H new ATOM 730 N LEU A 34 2.553 4.415 -24.292 1.00 0.00 N ATOM 731 CA LEU A 34 2.178 5.767 -24.768 1.00 0.00 C ATOM 732 C LEU A 34 0.641 5.973 -24.902 1.00 0.00 C ATOM 733 O LEU A 34 0.160 7.094 -24.698 1.00 0.00 O ATOM 734 CB LEU A 34 2.989 6.185 -26.043 1.00 0.00 C ATOM 735 CG LEU A 34 3.098 5.182 -27.243 1.00 0.00 C ATOM 736 CD1 LEU A 34 1.825 5.139 -28.101 1.00 0.00 C ATOM 737 CD2 LEU A 34 4.338 5.494 -28.120 1.00 0.00 C ATOM 0 H LEU A 34 3.017 3.841 -24.997 1.00 0.00 H new ATOM 0 HA LEU A 34 2.473 6.464 -23.983 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.549 7.106 -26.424 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.003 6.425 -25.723 1.00 0.00 H new ATOM 0 HG LEU A 34 3.218 4.191 -26.806 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.959 4.428 -28.916 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.981 4.829 -27.485 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.630 6.129 -28.512 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.389 4.783 -28.945 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.257 6.506 -28.518 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.241 5.413 -27.515 1.00 0.00 H new ATOM 749 N ARG A 35 -0.142 4.903 -25.214 1.00 0.00 N ATOM 750 CA ARG A 35 -1.634 5.015 -25.254 1.00 0.00 C ATOM 751 C ARG A 35 -2.212 5.260 -23.848 1.00 0.00 C ATOM 752 O ARG A 35 -3.213 5.962 -23.681 1.00 0.00 O ATOM 753 CB ARG A 35 -2.330 3.799 -25.973 1.00 0.00 C ATOM 754 CG ARG A 35 -2.027 2.369 -25.459 1.00 0.00 C ATOM 755 CD ARG A 35 -2.891 1.885 -24.282 1.00 0.00 C ATOM 756 NE ARG A 35 -2.579 0.481 -23.932 1.00 0.00 N ATOM 757 CZ ARG A 35 -2.946 -0.150 -22.807 1.00 0.00 C ATOM 758 NH1 ARG A 35 -3.731 0.440 -21.913 1.00 0.00 N ATOM 759 NH2 ARG A 35 -2.532 -1.391 -22.599 1.00 0.00 N ATOM 0 H ARG A 35 0.219 3.975 -25.436 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.862 5.887 -25.867 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.408 3.951 -25.915 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.059 3.837 -27.028 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.151 1.671 -26.287 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.980 2.325 -25.159 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.722 2.525 -23.416 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.946 1.972 -24.542 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.035 -0.055 -24.608 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.066 1.390 -22.076 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.999 -0.056 -21.063 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.942 -1.854 -23.290 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.803 -1.883 -21.748 1.00 0.00 H new ATOM 773 N SER A 36 -1.561 4.662 -22.842 1.00 0.00 N ATOM 774 CA SER A 36 -1.909 4.856 -21.431 1.00 0.00 C ATOM 775 C SER A 36 -1.419 6.238 -20.922 1.00 0.00 C ATOM 776 O SER A 36 -2.049 6.822 -20.036 1.00 0.00 O ATOM 777 CB SER A 36 -1.361 3.696 -20.590 1.00 0.00 C ATOM 778 OG SER A 36 -1.924 2.467 -21.003 1.00 0.00 O ATOM 0 H SER A 36 -0.775 4.028 -22.986 1.00 0.00 H new ATOM 0 HA SER A 36 -2.994 4.854 -21.328 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.276 3.654 -20.684 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.584 3.868 -19.537 1.00 0.00 H new ATOM 0 HG SER A 36 -1.327 2.034 -21.648 1.00 0.00 H new ATOM 784 N LEU A 37 -0.276 6.734 -21.462 1.00 0.00 N ATOM 785 CA LEU A 37 0.262 8.077 -21.121 1.00 0.00 C ATOM 786 C LEU A 37 -0.750 9.182 -21.455 1.00 0.00 C ATOM 787 O LEU A 37 -1.010 10.037 -20.618 1.00 0.00 O ATOM 788 CB LEU A 37 1.631 8.374 -21.827 1.00 0.00 C ATOM 789 CG LEU A 37 2.917 8.151 -20.979 1.00 0.00 C ATOM 790 CD1 LEU A 37 2.884 8.976 -19.673 1.00 0.00 C ATOM 791 CD2 LEU A 37 3.136 6.671 -20.701 1.00 0.00 C ATOM 0 H LEU A 37 0.292 6.222 -22.137 1.00 0.00 H new ATOM 0 HA LEU A 37 0.440 8.070 -20.046 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.698 7.749 -22.717 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.622 9.410 -22.165 1.00 0.00 H new ATOM 0 HG LEU A 37 3.766 8.507 -21.562 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.797 8.796 -19.106 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.810 10.036 -19.914 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.022 8.678 -19.076 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.041 6.542 -20.107 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.282 6.274 -20.152 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.242 6.135 -21.644 1.00 0.00 H new ATOM 803 N GLU A 38 -1.307 9.166 -22.683 1.00 0.00 N ATOM 804 CA GLU A 38 -2.327 10.160 -23.092 1.00 0.00 C ATOM 805 C GLU A 38 -3.637 9.991 -22.316 1.00 0.00 C ATOM 806 O GLU A 38 -4.407 10.951 -22.180 1.00 0.00 O ATOM 807 CB GLU A 38 -2.604 10.167 -24.609 1.00 0.00 C ATOM 808 CG GLU A 38 -2.943 8.813 -25.255 1.00 0.00 C ATOM 809 CD GLU A 38 -3.623 8.962 -26.636 1.00 0.00 C ATOM 810 OE1 GLU A 38 -2.963 9.419 -27.595 1.00 0.00 O ATOM 811 OE2 GLU A 38 -4.824 8.638 -26.763 1.00 0.00 O ATOM 0 H GLU A 38 -1.072 8.484 -23.404 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.895 11.129 -22.841 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.430 10.852 -24.801 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.728 10.575 -25.113 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.029 8.230 -25.366 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.600 8.253 -24.590 1.00 0.00 H new ATOM 818 N ALA A 39 -3.891 8.763 -21.825 1.00 0.00 N ATOM 819 CA ALA A 39 -5.085 8.463 -21.016 1.00 0.00 C ATOM 820 C ALA A 39 -5.045 9.221 -19.667 1.00 0.00 C ATOM 821 O ALA A 39 -6.082 9.412 -19.023 1.00 0.00 O ATOM 822 CB ALA A 39 -5.208 6.946 -20.805 1.00 0.00 C ATOM 0 H ALA A 39 -3.281 7.960 -21.976 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.969 8.807 -21.553 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.093 6.733 -20.206 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.296 6.450 -21.772 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.322 6.578 -20.287 1.00 0.00 H new ATOM 828 N GLU A 40 -3.830 9.641 -19.252 1.00 0.00 N ATOM 829 CA GLU A 40 -3.626 10.508 -18.082 1.00 0.00 C ATOM 830 C GLU A 40 -3.497 11.973 -18.546 1.00 0.00 C ATOM 831 O GLU A 40 -4.275 12.846 -18.161 1.00 0.00 O ATOM 832 CB GLU A 40 -2.348 10.099 -17.302 1.00 0.00 C ATOM 833 CG GLU A 40 -2.135 8.584 -17.158 1.00 0.00 C ATOM 834 CD GLU A 40 -1.063 8.220 -16.115 1.00 0.00 C ATOM 835 OE1 GLU A 40 0.050 8.789 -16.170 1.00 0.00 O ATOM 836 OE2 GLU A 40 -1.321 7.366 -15.232 1.00 0.00 O ATOM 0 H GLU A 40 -2.963 9.385 -19.724 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.484 10.400 -17.419 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.481 10.527 -17.805 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.390 10.541 -16.307 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.079 8.116 -16.879 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.848 8.170 -18.125 1.00 0.00 H new ATOM 843 N TYR A 41 -2.493 12.197 -19.406 1.00 0.00 N ATOM 844 CA TYR A 41 -2.046 13.524 -19.838 1.00 0.00 C ATOM 845 C TYR A 41 -2.786 13.978 -21.107 1.00 0.00 C ATOM 846 O TYR A 41 -2.590 13.411 -22.190 1.00 0.00 O ATOM 847 CB TYR A 41 -0.514 13.510 -20.077 1.00 0.00 C ATOM 848 CG TYR A 41 0.309 13.205 -18.810 1.00 0.00 C ATOM 849 CD1 TYR A 41 0.696 14.229 -17.939 1.00 0.00 C ATOM 850 CD2 TYR A 41 0.688 11.900 -18.476 1.00 0.00 C ATOM 851 CE1 TYR A 41 1.415 13.961 -16.789 1.00 0.00 C ATOM 852 CE2 TYR A 41 1.413 11.633 -17.325 1.00 0.00 C ATOM 853 CZ TYR A 41 1.773 12.666 -16.488 1.00 0.00 C ATOM 854 OH TYR A 41 2.488 12.406 -15.333 1.00 0.00 O ATOM 0 H TYR A 41 -1.957 11.439 -19.830 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.279 14.238 -19.048 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.281 12.766 -20.839 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.208 14.478 -20.473 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.428 15.249 -18.170 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.410 11.085 -19.128 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.696 14.767 -16.127 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.695 10.618 -17.085 1.00 0.00 H new ATOM 0 HH TYR A 41 2.661 11.444 -15.265 1.00 0.00 H new ATOM 864 N ASP A 42 -3.642 15.001 -20.948 1.00 0.00 N ATOM 865 CA ASP A 42 -4.324 15.681 -22.071 1.00 0.00 C ATOM 866 C ASP A 42 -3.296 16.437 -22.936 1.00 0.00 C ATOM 867 O ASP A 42 -3.499 16.625 -24.141 1.00 0.00 O ATOM 868 CB ASP A 42 -5.399 16.663 -21.545 1.00 0.00 C ATOM 869 CG ASP A 42 -6.473 15.971 -20.689 1.00 0.00 C ATOM 870 OD1 ASP A 42 -7.361 15.297 -21.260 1.00 0.00 O ATOM 871 OD2 ASP A 42 -6.428 16.081 -19.445 1.00 0.00 O ATOM 0 H ASP A 42 -3.884 15.384 -20.034 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.817 14.925 -22.682 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.916 17.441 -20.954 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.878 17.157 -22.391 1.00 0.00 H new ATOM 876 N GLY A 43 -2.178 16.832 -22.285 1.00 0.00 N ATOM 877 CA GLY A 43 -1.033 17.462 -22.951 1.00 0.00 C ATOM 878 C GLY A 43 -0.285 16.523 -23.894 1.00 0.00 C ATOM 879 O GLY A 43 0.515 16.988 -24.699 1.00 0.00 O ATOM 0 H GLY A 43 -2.052 16.719 -21.279 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.382 18.328 -23.514 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.341 17.831 -22.194 1.00 0.00 H new ATOM 883 N LEU A 44 -0.502 15.200 -23.741 1.00 0.00 N ATOM 884 CA LEU A 44 0.063 14.163 -24.632 1.00 0.00 C ATOM 885 C LEU A 44 -0.993 13.621 -25.617 1.00 0.00 C ATOM 886 O LEU A 44 -0.627 12.984 -26.600 1.00 0.00 O ATOM 887 CB LEU A 44 0.665 12.991 -23.794 1.00 0.00 C ATOM 888 CG LEU A 44 1.946 13.329 -22.962 1.00 0.00 C ATOM 889 CD1 LEU A 44 2.443 12.120 -22.139 1.00 0.00 C ATOM 890 CD2 LEU A 44 3.067 13.884 -23.868 1.00 0.00 C ATOM 0 H LEU A 44 -1.078 14.818 -22.991 1.00 0.00 H new ATOM 0 HA LEU A 44 0.857 14.630 -25.215 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.103 12.628 -23.110 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.902 12.171 -24.472 1.00 0.00 H new ATOM 0 HG LEU A 44 1.668 14.106 -22.250 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.334 12.403 -21.578 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.663 11.806 -21.446 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.684 11.297 -22.811 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.945 14.110 -23.263 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.327 13.141 -24.622 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.721 14.793 -24.359 1.00 0.00 H new ATOM 902 N ALA A 45 -2.284 13.905 -25.376 1.00 0.00 N ATOM 903 CA ALA A 45 -3.393 13.267 -26.123 1.00 0.00 C ATOM 904 C ALA A 45 -3.318 13.522 -27.651 1.00 0.00 C ATOM 905 O ALA A 45 -3.303 14.677 -28.097 1.00 0.00 O ATOM 906 CB ALA A 45 -4.742 13.728 -25.563 1.00 0.00 C ATOM 0 H ALA A 45 -2.591 14.573 -24.669 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.292 12.191 -25.984 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.549 13.252 -26.120 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.814 13.450 -24.512 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.825 14.811 -25.658 1.00 0.00 H new ATOM 912 N GLY A 46 -3.242 12.416 -28.422 1.00 0.00 N ATOM 913 CA GLY A 46 -3.291 12.450 -29.889 1.00 0.00 C ATOM 914 C GLY A 46 -2.026 12.982 -30.570 1.00 0.00 C ATOM 915 O GLY A 46 -2.043 13.240 -31.784 1.00 0.00 O ATOM 0 H GLY A 46 -3.145 11.476 -28.038 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.484 11.441 -30.254 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.136 13.067 -30.195 1.00 0.00 H new ATOM 919 N ARG A 47 -0.921 13.130 -29.807 1.00 0.00 N ATOM 920 CA ARG A 47 0.364 13.647 -30.344 1.00 0.00 C ATOM 921 C ARG A 47 1.500 12.620 -30.165 1.00 0.00 C ATOM 922 O ARG A 47 2.524 12.704 -30.849 1.00 0.00 O ATOM 923 CB ARG A 47 0.727 15.004 -29.686 1.00 0.00 C ATOM 924 CG ARG A 47 1.202 14.915 -28.232 1.00 0.00 C ATOM 925 CD ARG A 47 1.270 16.278 -27.528 1.00 0.00 C ATOM 926 NE ARG A 47 2.049 17.283 -28.264 1.00 0.00 N ATOM 927 CZ ARG A 47 2.320 18.519 -27.818 1.00 0.00 C ATOM 928 NH1 ARG A 47 1.934 18.919 -26.605 1.00 0.00 N ATOM 929 NH2 ARG A 47 2.969 19.357 -28.603 1.00 0.00 N ATOM 0 H ARG A 47 -0.890 12.899 -28.814 1.00 0.00 H new ATOM 0 HA ARG A 47 0.238 13.812 -31.414 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.508 15.480 -30.279 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.146 15.655 -29.727 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.529 14.261 -27.677 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.189 14.452 -28.208 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.257 16.652 -27.381 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.707 16.145 -26.539 1.00 0.00 H new ATOM 0 HE ARG A 47 2.410 17.022 -29.181 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.422 18.280 -25.996 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.151 19.863 -26.286 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.258 19.062 -29.536 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.182 20.300 -28.277 1.00 0.00 H new ATOM 943 N LEU A 48 1.321 11.676 -29.219 1.00 0.00 N ATOM 944 CA LEU A 48 2.222 10.509 -29.061 1.00 0.00 C ATOM 945 C LEU A 48 1.576 9.252 -29.670 1.00 0.00 C ATOM 946 O LEU A 48 2.089 8.139 -29.515 1.00 0.00 O ATOM 947 CB LEU A 48 2.626 10.301 -27.561 1.00 0.00 C ATOM 948 CG LEU A 48 1.632 9.609 -26.568 1.00 0.00 C ATOM 949 CD1 LEU A 48 2.124 9.755 -25.111 1.00 0.00 C ATOM 950 CD2 LEU A 48 0.201 10.092 -26.707 1.00 0.00 C ATOM 0 H LEU A 48 0.555 11.697 -28.546 1.00 0.00 H new ATOM 0 HA LEU A 48 3.145 10.704 -29.607 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.549 9.721 -27.552 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.863 11.283 -27.150 1.00 0.00 H new ATOM 0 HG LEU A 48 1.620 8.553 -26.837 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.419 9.267 -24.438 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.104 9.289 -25.009 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.197 10.812 -24.856 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.431 9.570 -25.988 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.159 11.164 -26.515 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.155 9.890 -27.717 1.00 0.00 H new ATOM 962 N ILE A 49 0.438 9.460 -30.372 1.00 0.00 N ATOM 963 CA ILE A 49 -0.240 8.449 -31.209 1.00 0.00 C ATOM 964 C ILE A 49 -0.772 9.135 -32.490 1.00 0.00 C ATOM 965 O ILE A 49 -1.224 10.285 -32.430 1.00 0.00 O ATOM 966 CB ILE A 49 -1.441 7.745 -30.480 1.00 0.00 C ATOM 967 CG1 ILE A 49 -0.955 6.925 -29.260 1.00 0.00 C ATOM 968 CG2 ILE A 49 -2.254 6.822 -31.449 1.00 0.00 C ATOM 969 CD1 ILE A 49 -2.037 6.143 -28.569 1.00 0.00 C ATOM 0 H ILE A 49 -0.044 10.359 -30.370 1.00 0.00 H new ATOM 0 HA ILE A 49 0.496 7.678 -31.439 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.102 8.539 -30.131 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.177 6.235 -29.587 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.497 7.603 -28.540 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.075 6.355 -30.904 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.655 7.418 -32.268 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.599 6.049 -31.850 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.611 5.598 -27.727 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.806 6.826 -28.208 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.480 5.437 -29.271 1.00 0.00 H new ATOM 981 N GLU A 50 -0.703 8.428 -33.635 1.00 0.00 N ATOM 982 CA GLU A 50 -1.418 8.803 -34.876 1.00 0.00 C ATOM 983 C GLU A 50 -1.627 7.525 -35.702 1.00 0.00 C ATOM 984 O GLU A 50 -0.656 6.832 -35.990 1.00 0.00 O ATOM 985 CB GLU A 50 -0.611 9.875 -35.676 1.00 0.00 C ATOM 986 CG GLU A 50 -1.398 10.730 -36.715 1.00 0.00 C ATOM 987 CD GLU A 50 -1.806 9.991 -38.009 1.00 0.00 C ATOM 988 OE1 GLU A 50 -0.933 9.759 -38.874 1.00 0.00 O ATOM 989 OE2 GLU A 50 -2.995 9.630 -38.157 1.00 0.00 O ATOM 0 H GLU A 50 -0.148 7.577 -33.728 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.384 9.249 -34.639 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.149 10.555 -34.960 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.198 9.367 -36.200 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.299 11.114 -36.236 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.789 11.593 -36.986 1.00 0.00 H new ATOM 996 N ASP A 51 -2.893 7.222 -36.042 1.00 0.00 N ATOM 997 CA ASP A 51 -3.283 6.058 -36.893 1.00 0.00 C ATOM 998 C ASP A 51 -2.887 4.705 -36.230 1.00 0.00 C ATOM 999 O ASP A 51 -2.623 3.707 -36.902 1.00 0.00 O ATOM 1000 CB ASP A 51 -2.660 6.232 -38.322 1.00 0.00 C ATOM 1001 CG ASP A 51 -3.207 5.261 -39.388 1.00 0.00 C ATOM 1002 OD1 ASP A 51 -4.364 5.435 -39.833 1.00 0.00 O ATOM 1003 OD2 ASP A 51 -2.478 4.337 -39.809 1.00 0.00 O ATOM 0 H ASP A 51 -3.691 7.778 -35.735 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.368 6.032 -36.993 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.835 7.254 -38.658 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.580 6.101 -38.251 1.00 0.00 H new ATOM 1008 N GLY A 52 -2.898 4.689 -34.884 1.00 0.00 N ATOM 1009 CA GLY A 52 -2.598 3.481 -34.101 1.00 0.00 C ATOM 1010 C GLY A 52 -1.101 3.193 -33.919 1.00 0.00 C ATOM 1011 O GLY A 52 -0.744 2.235 -33.219 1.00 0.00 O ATOM 0 H GLY A 52 -3.114 5.507 -34.315 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.058 3.578 -33.118 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.063 2.624 -34.588 1.00 0.00 H new ATOM 1015 N GLU A 53 -0.223 4.002 -34.548 1.00 0.00 N ATOM 1016 CA GLU A 53 1.250 3.925 -34.354 1.00 0.00 C ATOM 1017 C GLU A 53 1.723 5.115 -33.505 1.00 0.00 C ATOM 1018 O GLU A 53 0.893 5.884 -33.006 1.00 0.00 O ATOM 1019 CB GLU A 53 2.017 3.903 -35.701 1.00 0.00 C ATOM 1020 CG GLU A 53 1.808 5.153 -36.574 1.00 0.00 C ATOM 1021 CD GLU A 53 2.962 5.440 -37.545 1.00 0.00 C ATOM 1022 OE1 GLU A 53 3.958 6.079 -37.122 1.00 0.00 O ATOM 1023 OE2 GLU A 53 2.883 5.034 -38.721 1.00 0.00 O ATOM 0 H GLU A 53 -0.509 4.728 -35.205 1.00 0.00 H new ATOM 0 HA GLU A 53 1.466 2.989 -33.839 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.082 3.792 -35.497 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.708 3.024 -36.267 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.888 5.034 -37.146 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.670 6.018 -35.925 1.00 0.00 H new ATOM 1030 N VAL A 54 3.066 5.249 -33.347 1.00 0.00 N ATOM 1031 CA VAL A 54 3.674 6.288 -32.503 1.00 0.00 C ATOM 1032 C VAL A 54 3.275 7.722 -32.958 1.00 0.00 C ATOM 1033 O VAL A 54 2.762 8.452 -32.150 1.00 0.00 O ATOM 1034 CB VAL A 54 5.252 6.137 -32.401 1.00 0.00 C ATOM 1035 CG1 VAL A 54 5.639 4.815 -31.695 1.00 0.00 C ATOM 1036 CG2 VAL A 54 5.948 6.222 -33.787 1.00 0.00 C ATOM 0 H VAL A 54 3.746 4.640 -33.802 1.00 0.00 H new ATOM 0 HA VAL A 54 3.270 6.139 -31.502 1.00 0.00 H new ATOM 0 HB VAL A 54 5.605 6.978 -31.804 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.725 4.737 -31.639 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.222 4.805 -30.688 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.244 3.971 -32.260 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.025 6.113 -33.661 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.576 5.425 -34.431 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.732 7.188 -34.244 1.00 0.00 H new ATOM 1046 N LYS A 55 3.506 8.070 -34.249 1.00 0.00 N ATOM 1047 CA LYS A 55 3.168 9.382 -34.894 1.00 0.00 C ATOM 1048 C LYS A 55 4.219 9.627 -35.993 1.00 0.00 C ATOM 1049 O LYS A 55 5.410 9.363 -35.763 1.00 0.00 O ATOM 1050 CB LYS A 55 3.108 10.609 -33.894 1.00 0.00 C ATOM 1051 CG LYS A 55 3.181 12.050 -34.477 1.00 0.00 C ATOM 1052 CD LYS A 55 1.825 12.613 -34.965 1.00 0.00 C ATOM 1053 CE LYS A 55 0.788 12.715 -33.836 1.00 0.00 C ATOM 1054 NZ LYS A 55 -0.491 13.316 -34.286 1.00 0.00 N ATOM 0 H LYS A 55 3.950 7.425 -34.902 1.00 0.00 H new ATOM 0 HA LYS A 55 2.158 9.313 -35.298 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.181 10.528 -33.326 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.927 10.497 -33.184 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.584 12.717 -33.715 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.884 12.056 -35.310 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.981 13.600 -35.401 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.434 11.974 -35.756 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.596 11.720 -33.434 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.200 13.313 -33.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.160 13.345 -33.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.319 14.282 -34.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.893 12.742 -35.055 1.00 0.00 H new ATOM 1068 N PRO A 56 3.810 10.105 -37.201 1.00 0.00 N ATOM 1069 CA PRO A 56 4.750 10.646 -38.210 1.00 0.00 C ATOM 1070 C PRO A 56 5.592 11.803 -37.625 1.00 0.00 C ATOM 1071 O PRO A 56 5.040 12.721 -37.013 1.00 0.00 O ATOM 1072 CB PRO A 56 3.805 11.156 -39.340 1.00 0.00 C ATOM 1073 CG PRO A 56 2.462 11.271 -38.682 1.00 0.00 C ATOM 1074 CD PRO A 56 2.418 10.136 -37.706 1.00 0.00 C ATOM 0 HA PRO A 56 5.473 9.908 -38.558 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.138 12.117 -39.733 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.778 10.461 -40.179 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.349 12.231 -38.178 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.656 11.197 -39.412 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.699 10.314 -36.907 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.137 9.198 -38.185 1.00 0.00 H new ATOM 1082 N HIS A 57 6.924 11.715 -37.788 1.00 0.00 N ATOM 1083 CA HIS A 57 7.903 12.780 -37.413 1.00 0.00 C ATOM 1084 C HIS A 57 8.182 12.871 -35.890 1.00 0.00 C ATOM 1085 O HIS A 57 9.064 13.645 -35.491 1.00 0.00 O ATOM 1086 CB HIS A 57 7.521 14.191 -37.981 1.00 0.00 C ATOM 1087 CG HIS A 57 7.430 14.280 -39.493 1.00 0.00 C ATOM 1088 ND1 HIS A 57 8.202 15.136 -40.249 1.00 0.00 N ATOM 1089 CD2 HIS A 57 6.610 13.658 -40.367 1.00 0.00 C ATOM 1090 CE1 HIS A 57 7.851 15.039 -41.516 1.00 0.00 C ATOM 1091 NE2 HIS A 57 6.884 14.150 -41.615 1.00 0.00 N ATOM 0 H HIS A 57 7.370 10.891 -38.191 1.00 0.00 H new ATOM 0 HA HIS A 57 8.831 12.463 -37.889 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.561 14.487 -37.558 1.00 0.00 H new ATOM 0 HB3 HIS A 57 8.258 14.915 -37.635 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.871 12.908 -40.125 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.283 15.595 -42.335 1.00 0.00 H new ATOM 0 HE2 HIS A 57 6.417 13.874 -42.479 1.00 0.00 H new ATOM 1100 N VAL A 58 7.448 12.102 -35.046 1.00 0.00 N ATOM 1101 CA VAL A 58 7.744 12.026 -33.592 1.00 0.00 C ATOM 1102 C VAL A 58 9.015 11.184 -33.400 1.00 0.00 C ATOM 1103 O VAL A 58 9.244 10.240 -34.165 1.00 0.00 O ATOM 1104 CB VAL A 58 6.535 11.431 -32.740 1.00 0.00 C ATOM 1105 CG1 VAL A 58 6.501 9.883 -32.728 1.00 0.00 C ATOM 1106 CG2 VAL A 58 6.533 11.977 -31.296 1.00 0.00 C ATOM 0 H VAL A 58 6.656 11.532 -35.343 1.00 0.00 H new ATOM 0 HA VAL A 58 7.896 13.039 -33.220 1.00 0.00 H new ATOM 0 HB VAL A 58 5.629 11.767 -33.244 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.655 9.542 -32.131 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.398 9.513 -33.748 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.426 9.502 -32.296 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.695 11.549 -30.746 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.467 11.706 -30.803 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.436 13.062 -31.318 1.00 0.00 H new ATOM 1116 N ASN A 59 9.864 11.540 -32.425 1.00 0.00 N ATOM 1117 CA ASN A 59 11.099 10.788 -32.151 1.00 0.00 C ATOM 1118 C ASN A 59 10.956 10.078 -30.811 1.00 0.00 C ATOM 1119 O ASN A 59 11.031 10.702 -29.765 1.00 0.00 O ATOM 1120 CB ASN A 59 12.334 11.727 -32.148 1.00 0.00 C ATOM 1121 CG ASN A 59 12.609 12.412 -33.490 1.00 0.00 C ATOM 1122 OD1 ASN A 59 11.697 12.858 -34.195 1.00 0.00 O ATOM 1123 ND2 ASN A 59 13.867 12.446 -33.881 1.00 0.00 N ATOM 0 H ASN A 59 9.719 12.343 -31.813 1.00 0.00 H new ATOM 0 HA ASN A 59 11.254 10.051 -32.939 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.192 12.493 -31.385 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.213 11.150 -31.861 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.109 12.848 -34.787 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.599 12.070 -33.278 1.00 0.00 H new ATOM 1130 N VAL A 60 10.736 8.766 -30.851 1.00 0.00 N ATOM 1131 CA VAL A 60 10.610 7.931 -29.643 1.00 0.00 C ATOM 1132 C VAL A 60 11.707 6.866 -29.639 1.00 0.00 C ATOM 1133 O VAL A 60 12.018 6.281 -30.671 1.00 0.00 O ATOM 1134 CB VAL A 60 9.190 7.285 -29.515 1.00 0.00 C ATOM 1135 CG1 VAL A 60 8.139 8.328 -29.046 1.00 0.00 C ATOM 1136 CG2 VAL A 60 8.748 6.635 -30.841 1.00 0.00 C ATOM 0 H VAL A 60 10.639 8.243 -31.722 1.00 0.00 H new ATOM 0 HA VAL A 60 10.733 8.574 -28.772 1.00 0.00 H new ATOM 0 HB VAL A 60 9.256 6.503 -28.759 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.163 7.850 -28.966 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.429 8.725 -28.073 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.087 9.142 -29.769 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.758 6.196 -30.719 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.714 7.392 -31.624 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.459 5.857 -31.119 1.00 0.00 H new ATOM 1146 N LEU A 61 12.300 6.673 -28.458 1.00 0.00 N ATOM 1147 CA LEU A 61 13.546 5.918 -28.257 1.00 0.00 C ATOM 1148 C LEU A 61 13.359 4.825 -27.183 1.00 0.00 C ATOM 1149 O LEU A 61 12.658 5.021 -26.193 1.00 0.00 O ATOM 1150 CB LEU A 61 14.707 6.875 -27.812 1.00 0.00 C ATOM 1151 CG LEU A 61 15.256 7.907 -28.855 1.00 0.00 C ATOM 1152 CD1 LEU A 61 14.259 9.025 -29.170 1.00 0.00 C ATOM 1153 CD2 LEU A 61 16.623 8.494 -28.422 1.00 0.00 C ATOM 0 H LEU A 61 11.918 7.047 -27.589 1.00 0.00 H new ATOM 0 HA LEU A 61 13.804 5.450 -29.207 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.363 7.433 -26.941 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.542 6.256 -27.485 1.00 0.00 H new ATOM 0 HG LEU A 61 15.405 7.345 -29.777 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.696 9.708 -29.898 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.346 8.593 -29.580 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.024 9.571 -28.256 1.00 0.00 H new ATOM 0 HD21 LEU A 61 16.968 9.205 -29.173 1.00 0.00 H new ATOM 0 HD22 LEU A 61 16.514 9.002 -27.464 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.350 7.688 -28.324 1.00 0.00 H new ATOM 1165 N LYS A 62 13.994 3.680 -27.407 1.00 0.00 N ATOM 1166 CA LYS A 62 14.195 2.635 -26.404 1.00 0.00 C ATOM 1167 C LYS A 62 15.705 2.529 -26.115 1.00 0.00 C ATOM 1168 O LYS A 62 16.469 2.086 -26.979 1.00 0.00 O ATOM 1169 CB LYS A 62 13.610 1.285 -26.914 1.00 0.00 C ATOM 1170 CG LYS A 62 14.074 0.023 -26.165 1.00 0.00 C ATOM 1171 CD LYS A 62 13.811 0.094 -24.656 1.00 0.00 C ATOM 1172 CE LYS A 62 14.469 -1.060 -23.917 1.00 0.00 C ATOM 1173 NZ LYS A 62 14.025 -2.393 -24.411 1.00 0.00 N ATOM 0 H LYS A 62 14.395 3.445 -28.315 1.00 0.00 H new ATOM 0 HA LYS A 62 13.673 2.882 -25.480 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.523 1.338 -26.857 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.869 1.174 -27.967 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.562 -0.847 -26.577 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.140 -0.124 -26.336 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.188 1.039 -24.265 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.737 0.079 -24.472 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.551 -0.982 -24.021 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.244 -0.979 -22.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.769 -2.995 -23.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.198 -2.276 -25.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.797 -2.840 -24.945 1.00 0.00 H new ATOM 1187 N ASN A 63 16.113 2.977 -24.905 1.00 0.00 N ATOM 1188 CA ASN A 63 17.514 2.888 -24.413 1.00 0.00 C ATOM 1189 C ASN A 63 18.475 3.654 -25.372 1.00 0.00 C ATOM 1190 O ASN A 63 19.619 3.252 -25.614 1.00 0.00 O ATOM 1191 CB ASN A 63 17.893 1.376 -24.227 1.00 0.00 C ATOM 1192 CG ASN A 63 19.227 1.128 -23.510 1.00 0.00 C ATOM 1193 OD1 ASN A 63 20.273 0.966 -24.142 1.00 0.00 O ATOM 1194 ND2 ASN A 63 19.201 1.102 -22.184 1.00 0.00 N ATOM 0 H ASN A 63 15.478 3.413 -24.236 1.00 0.00 H new ATOM 0 HA ASN A 63 17.613 3.372 -23.441 1.00 0.00 H new ATOM 0 HB2 ASN A 63 17.099 0.884 -23.666 1.00 0.00 H new ATOM 0 HB3 ASN A 63 17.931 0.903 -25.208 1.00 0.00 H new ATOM 0 HD21 ASN A 63 20.062 0.945 -21.660 1.00 0.00 H new ATOM 0 HD22 ASN A 63 18.320 1.239 -21.688 1.00 0.00 H new ATOM 1201 N GLY A 64 17.962 4.774 -25.921 1.00 0.00 N ATOM 1202 CA GLY A 64 18.716 5.635 -26.843 1.00 0.00 C ATOM 1203 C GLY A 64 18.575 5.237 -28.317 1.00 0.00 C ATOM 1204 O GLY A 64 18.902 6.033 -29.205 1.00 0.00 O ATOM 0 H GLY A 64 17.015 5.103 -25.735 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.380 6.665 -26.721 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.771 5.609 -26.569 1.00 0.00 H new ATOM 1208 N ARG A 65 18.063 4.020 -28.577 1.00 0.00 N ATOM 1209 CA ARG A 65 17.817 3.529 -29.945 1.00 0.00 C ATOM 1210 C ARG A 65 16.418 3.968 -30.387 1.00 0.00 C ATOM 1211 O ARG A 65 15.421 3.460 -29.882 1.00 0.00 O ATOM 1212 CB ARG A 65 17.960 1.984 -30.019 1.00 0.00 C ATOM 1213 CG ARG A 65 17.736 1.386 -31.431 1.00 0.00 C ATOM 1214 CD ARG A 65 18.721 1.931 -32.485 1.00 0.00 C ATOM 1215 NE ARG A 65 20.127 1.697 -32.102 1.00 0.00 N ATOM 1216 CZ ARG A 65 20.950 0.792 -32.657 1.00 0.00 C ATOM 1217 NH1 ARG A 65 20.527 -0.020 -33.618 1.00 0.00 N ATOM 1218 NH2 ARG A 65 22.199 0.713 -32.237 1.00 0.00 N ATOM 0 H ARG A 65 17.809 3.352 -27.849 1.00 0.00 H new ATOM 0 HA ARG A 65 18.561 3.955 -30.618 1.00 0.00 H new ATOM 0 HB2 ARG A 65 18.956 1.707 -29.675 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.247 1.532 -29.329 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.833 0.302 -31.379 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.716 1.600 -31.751 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.523 1.456 -33.446 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.555 3.000 -32.618 1.00 0.00 H new ATOM 0 HE ARG A 65 20.507 2.273 -31.350 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.563 0.037 -33.946 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.166 -0.701 -34.028 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.529 1.335 -31.499 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.834 0.030 -32.650 1.00 0.00 H new ATOM 1232 N GLU A 66 16.368 4.918 -31.323 1.00 0.00 N ATOM 1233 CA GLU A 66 15.122 5.556 -31.762 1.00 0.00 C ATOM 1234 C GLU A 66 14.230 4.536 -32.510 1.00 0.00 C ATOM 1235 O GLU A 66 14.516 4.165 -33.650 1.00 0.00 O ATOM 1236 CB GLU A 66 15.468 6.801 -32.628 1.00 0.00 C ATOM 1237 CG GLU A 66 14.403 7.913 -32.640 1.00 0.00 C ATOM 1238 CD GLU A 66 14.855 9.147 -33.437 1.00 0.00 C ATOM 1239 OE1 GLU A 66 14.684 9.175 -34.679 1.00 0.00 O ATOM 1240 OE2 GLU A 66 15.432 10.077 -32.832 1.00 0.00 O ATOM 0 H GLU A 66 17.197 5.270 -31.802 1.00 0.00 H new ATOM 0 HA GLU A 66 14.546 5.897 -30.901 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.406 7.224 -32.268 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.638 6.473 -33.654 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.480 7.524 -33.070 1.00 0.00 H new ATOM 0 HG3 GLU A 66 14.178 8.208 -31.615 1.00 0.00 H new ATOM 1247 N VAL A 67 13.161 4.073 -31.826 1.00 0.00 N ATOM 1248 CA VAL A 67 12.298 2.970 -32.302 1.00 0.00 C ATOM 1249 C VAL A 67 11.418 3.340 -33.514 1.00 0.00 C ATOM 1250 O VAL A 67 10.706 2.485 -34.029 1.00 0.00 O ATOM 1251 CB VAL A 67 11.404 2.369 -31.150 1.00 0.00 C ATOM 1252 CG1 VAL A 67 12.265 1.774 -30.023 1.00 0.00 C ATOM 1253 CG2 VAL A 67 10.406 3.402 -30.578 1.00 0.00 C ATOM 0 H VAL A 67 12.872 4.455 -30.926 1.00 0.00 H new ATOM 0 HA VAL A 67 12.998 2.206 -32.639 1.00 0.00 H new ATOM 0 HB VAL A 67 10.821 1.566 -31.601 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.617 1.369 -29.246 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.891 0.978 -30.425 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.898 2.553 -29.598 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.815 2.938 -29.788 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.955 4.251 -30.170 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.744 3.747 -31.372 1.00 0.00 H new ATOM 1263 N VAL A 68 11.486 4.599 -33.981 1.00 0.00 N ATOM 1264 CA VAL A 68 10.828 5.020 -35.241 1.00 0.00 C ATOM 1265 C VAL A 68 11.584 4.480 -36.480 1.00 0.00 C ATOM 1266 O VAL A 68 11.103 4.601 -37.610 1.00 0.00 O ATOM 1267 CB VAL A 68 10.709 6.581 -35.332 1.00 0.00 C ATOM 1268 CG1 VAL A 68 9.953 7.136 -34.109 1.00 0.00 C ATOM 1269 CG2 VAL A 68 12.097 7.252 -35.482 1.00 0.00 C ATOM 0 H VAL A 68 11.990 5.348 -33.507 1.00 0.00 H new ATOM 0 HA VAL A 68 9.824 4.595 -35.231 1.00 0.00 H new ATOM 0 HB VAL A 68 10.137 6.821 -36.228 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.879 8.221 -34.188 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.952 6.706 -34.074 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.492 6.874 -33.199 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.974 8.333 -35.542 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.716 7.005 -34.620 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.579 6.891 -36.390 1.00 0.00 H new ATOM 1279 N HIS A 69 12.791 3.925 -36.248 1.00 0.00 N ATOM 1280 CA HIS A 69 13.599 3.264 -37.292 1.00 0.00 C ATOM 1281 C HIS A 69 13.205 1.776 -37.418 1.00 0.00 C ATOM 1282 O HIS A 69 13.371 1.168 -38.482 1.00 0.00 O ATOM 1283 CB HIS A 69 15.113 3.401 -36.966 1.00 0.00 C ATOM 1284 CG HIS A 69 15.583 4.827 -36.796 1.00 0.00 C ATOM 1285 ND1 HIS A 69 15.143 5.871 -37.585 1.00 0.00 N ATOM 1286 CD2 HIS A 69 16.427 5.380 -35.892 1.00 0.00 C ATOM 1287 CE1 HIS A 69 15.694 6.999 -37.169 1.00 0.00 C ATOM 1288 NE2 HIS A 69 16.474 6.727 -36.146 1.00 0.00 N ATOM 0 H HIS A 69 13.233 3.923 -35.329 1.00 0.00 H new ATOM 0 HA HIS A 69 13.403 3.753 -38.246 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.328 2.848 -36.052 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.689 2.933 -37.764 1.00 0.00 H new ATOM 0 HD2 HIS A 69 16.964 4.857 -35.115 1.00 0.00 H new ATOM 0 HE1 HIS A 69 15.531 7.977 -37.597 1.00 0.00 H new ATOM 0 HE2 HIS A 69 17.026 7.409 -35.625 1.00 0.00 H new ATOM 1297 N LEU A 70 12.672 1.213 -36.317 1.00 0.00 N ATOM 1298 CA LEU A 70 12.245 -0.201 -36.233 1.00 0.00 C ATOM 1299 C LEU A 70 10.818 -0.282 -35.660 1.00 0.00 C ATOM 1300 O LEU A 70 10.007 0.614 -35.921 1.00 0.00 O ATOM 1301 CB LEU A 70 13.267 -1.042 -35.395 1.00 0.00 C ATOM 1302 CG LEU A 70 13.547 -0.590 -33.914 1.00 0.00 C ATOM 1303 CD1 LEU A 70 14.069 -1.770 -33.068 1.00 0.00 C ATOM 1304 CD2 LEU A 70 14.545 0.591 -33.857 1.00 0.00 C ATOM 0 H LEU A 70 12.523 1.731 -35.451 1.00 0.00 H new ATOM 0 HA LEU A 70 12.228 -0.632 -37.234 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.912 -2.072 -35.370 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.217 -1.045 -35.930 1.00 0.00 H new ATOM 0 HG LEU A 70 12.600 -0.250 -33.495 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.255 -1.432 -32.048 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.325 -2.567 -33.056 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.996 -2.146 -33.501 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.713 0.875 -32.818 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.490 0.291 -34.309 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.135 1.440 -34.404 1.00 0.00 H new ATOM 1316 N ASP A 71 10.481 -1.385 -34.957 1.00 0.00 N ATOM 1317 CA ASP A 71 9.207 -1.507 -34.234 1.00 0.00 C ATOM 1318 C ASP A 71 9.051 -0.381 -33.193 1.00 0.00 C ATOM 1319 O ASP A 71 9.736 -0.384 -32.161 1.00 0.00 O ATOM 1320 CB ASP A 71 9.119 -2.882 -33.527 1.00 0.00 C ATOM 1321 CG ASP A 71 8.933 -4.067 -34.485 1.00 0.00 C ATOM 1322 OD1 ASP A 71 9.903 -4.442 -35.171 1.00 0.00 O ATOM 1323 OD2 ASP A 71 7.817 -4.631 -34.560 1.00 0.00 O ATOM 0 H ASP A 71 11.081 -2.206 -34.878 1.00 0.00 H new ATOM 0 HA ASP A 71 8.401 -1.422 -34.962 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.027 -3.038 -32.945 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.288 -2.864 -32.822 1.00 0.00 H new ATOM 1328 N GLY A 72 8.151 0.570 -33.486 1.00 0.00 N ATOM 1329 CA GLY A 72 7.842 1.668 -32.566 1.00 0.00 C ATOM 1330 C GLY A 72 6.773 1.283 -31.563 1.00 0.00 C ATOM 1331 O GLY A 72 6.736 1.810 -30.455 1.00 0.00 O ATOM 0 H GLY A 72 7.623 0.598 -34.359 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.748 1.963 -32.036 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.509 2.536 -33.136 1.00 0.00 H new ATOM 1335 N MET A 73 5.870 0.386 -31.985 1.00 0.00 N ATOM 1336 CA MET A 73 4.776 -0.117 -31.133 1.00 0.00 C ATOM 1337 C MET A 73 5.256 -1.246 -30.188 1.00 0.00 C ATOM 1338 O MET A 73 4.786 -1.329 -29.053 1.00 0.00 O ATOM 1339 CB MET A 73 3.585 -0.575 -32.021 1.00 0.00 C ATOM 1340 CG MET A 73 2.853 0.553 -32.794 1.00 0.00 C ATOM 1341 SD MET A 73 1.705 1.500 -31.755 1.00 0.00 S ATOM 1342 CE MET A 73 2.745 2.743 -31.001 1.00 0.00 C ATOM 0 H MET A 73 5.875 -0.012 -32.924 1.00 0.00 H new ATOM 0 HA MET A 73 4.436 0.696 -30.492 1.00 0.00 H new ATOM 0 HB2 MET A 73 3.952 -1.306 -32.742 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.860 -1.088 -31.389 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.592 1.232 -33.220 1.00 0.00 H new ATOM 0 HG3 MET A 73 2.303 0.116 -33.628 1.00 0.00 H new ATOM 0 HE1 MET A 73 2.166 3.653 -30.840 1.00 0.00 H new ATOM 0 HE2 MET A 73 3.116 2.375 -30.044 1.00 0.00 H new ATOM 0 HE3 MET A 73 3.587 2.960 -31.658 1.00 0.00 H new ATOM 1352 N ALA A 74 6.200 -2.100 -30.646 1.00 0.00 N ATOM 1353 CA ALA A 74 6.656 -3.278 -29.864 1.00 0.00 C ATOM 1354 C ALA A 74 8.077 -3.723 -30.259 1.00 0.00 C ATOM 1355 O ALA A 74 8.250 -4.653 -31.056 1.00 0.00 O ATOM 1356 CB ALA A 74 5.646 -4.441 -30.013 1.00 0.00 C ATOM 0 H ALA A 74 6.661 -1.998 -31.550 1.00 0.00 H new ATOM 0 HA ALA A 74 6.700 -2.983 -28.816 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.991 -5.299 -29.436 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.670 -4.125 -29.645 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.565 -4.720 -31.064 1.00 0.00 H new ATOM 1362 N THR A 75 9.099 -3.036 -29.704 1.00 0.00 N ATOM 1363 CA THR A 75 10.518 -3.370 -29.952 1.00 0.00 C ATOM 1364 C THR A 75 11.012 -4.559 -29.067 1.00 0.00 C ATOM 1365 O THR A 75 11.245 -5.653 -29.594 1.00 0.00 O ATOM 1366 CB THR A 75 11.457 -2.110 -29.802 1.00 0.00 C ATOM 1367 OG1 THR A 75 12.838 -2.493 -29.928 1.00 0.00 O ATOM 1368 CG2 THR A 75 11.259 -1.367 -28.472 1.00 0.00 C ATOM 0 H THR A 75 8.966 -2.242 -29.078 1.00 0.00 H new ATOM 0 HA THR A 75 10.579 -3.699 -30.989 1.00 0.00 H new ATOM 0 HB THR A 75 11.179 -1.427 -30.605 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.407 -1.701 -29.834 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.933 -0.511 -28.430 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.228 -1.021 -28.398 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.476 -2.041 -27.643 1.00 0.00 H new ATOM 1376 N ALA A 76 11.110 -4.362 -27.721 1.00 0.00 N ATOM 1377 CA ALA A 76 11.890 -5.262 -26.834 1.00 0.00 C ATOM 1378 C ALA A 76 11.714 -4.918 -25.329 1.00 0.00 C ATOM 1379 O ALA A 76 12.660 -5.081 -24.546 1.00 0.00 O ATOM 1380 CB ALA A 76 13.386 -5.226 -27.233 1.00 0.00 C ATOM 0 H ALA A 76 10.658 -3.589 -27.232 1.00 0.00 H new ATOM 0 HA ALA A 76 11.501 -6.271 -26.969 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.953 -5.888 -26.579 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.495 -5.556 -28.266 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.764 -4.208 -27.135 1.00 0.00 H new ATOM 1386 N LEU A 77 10.518 -4.449 -24.922 1.00 0.00 N ATOM 1387 CA LEU A 77 10.300 -3.917 -23.556 1.00 0.00 C ATOM 1388 C LEU A 77 10.236 -5.028 -22.486 1.00 0.00 C ATOM 1389 O LEU A 77 9.705 -6.115 -22.720 1.00 0.00 O ATOM 1390 CB LEU A 77 9.028 -3.032 -23.460 1.00 0.00 C ATOM 1391 CG LEU A 77 9.050 -1.677 -24.246 1.00 0.00 C ATOM 1392 CD1 LEU A 77 8.025 -0.686 -23.665 1.00 0.00 C ATOM 1393 CD2 LEU A 77 10.454 -1.044 -24.291 1.00 0.00 C ATOM 0 H LEU A 77 9.689 -4.426 -25.515 1.00 0.00 H new ATOM 0 HA LEU A 77 11.172 -3.296 -23.352 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.179 -3.617 -23.815 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.846 -2.812 -22.408 1.00 0.00 H new ATOM 0 HG LEU A 77 8.770 -1.906 -25.274 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.061 0.246 -24.228 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.025 -1.114 -23.735 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.263 -0.488 -22.620 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.413 -0.107 -24.847 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.798 -0.848 -23.275 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.146 -1.728 -24.782 1.00 0.00 H new ATOM 1405 N ASP A 78 10.782 -4.690 -21.308 1.00 0.00 N ATOM 1406 CA ASP A 78 10.958 -5.593 -20.160 1.00 0.00 C ATOM 1407 C ASP A 78 11.075 -4.718 -18.880 1.00 0.00 C ATOM 1408 O ASP A 78 10.872 -3.494 -18.947 1.00 0.00 O ATOM 1409 CB ASP A 78 12.222 -6.479 -20.401 1.00 0.00 C ATOM 1410 CG ASP A 78 12.364 -7.667 -19.437 1.00 0.00 C ATOM 1411 OD1 ASP A 78 11.615 -8.652 -19.593 1.00 0.00 O ATOM 1412 OD2 ASP A 78 13.207 -7.621 -18.513 1.00 0.00 O ATOM 0 H ASP A 78 11.125 -3.748 -21.122 1.00 0.00 H new ATOM 0 HA ASP A 78 10.111 -6.268 -20.037 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.194 -6.858 -21.422 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.110 -5.852 -20.318 1.00 0.00 H new ATOM 1417 N ASP A 79 11.343 -5.332 -17.717 1.00 0.00 N ATOM 1418 CA ASP A 79 11.535 -4.599 -16.448 1.00 0.00 C ATOM 1419 C ASP A 79 12.866 -3.804 -16.456 1.00 0.00 C ATOM 1420 O ASP A 79 13.877 -4.280 -16.980 1.00 0.00 O ATOM 1421 CB ASP A 79 11.494 -5.592 -15.256 1.00 0.00 C ATOM 1422 CG ASP A 79 11.582 -4.913 -13.873 1.00 0.00 C ATOM 1423 OD1 ASP A 79 10.532 -4.491 -13.347 1.00 0.00 O ATOM 1424 OD2 ASP A 79 12.696 -4.811 -13.301 1.00 0.00 O ATOM 0 H ASP A 79 11.433 -6.344 -17.626 1.00 0.00 H new ATOM 0 HA ASP A 79 10.724 -3.879 -16.337 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.571 -6.169 -15.308 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.318 -6.299 -15.356 1.00 0.00 H new ATOM 1429 N GLY A 80 12.839 -2.608 -15.848 1.00 0.00 N ATOM 1430 CA GLY A 80 13.988 -1.690 -15.805 1.00 0.00 C ATOM 1431 C GLY A 80 14.285 -0.969 -17.125 1.00 0.00 C ATOM 1432 O GLY A 80 15.281 -0.233 -17.218 1.00 0.00 O ATOM 0 H GLY A 80 12.014 -2.248 -15.369 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.809 -0.943 -15.032 1.00 0.00 H new ATOM 0 HA3 GLY A 80 14.873 -2.252 -15.507 1.00 0.00 H new ATOM 1436 N ASP A 81 13.423 -1.163 -18.135 1.00 0.00 N ATOM 1437 CA ASP A 81 13.659 -0.658 -19.504 1.00 0.00 C ATOM 1438 C ASP A 81 13.286 0.828 -19.633 1.00 0.00 C ATOM 1439 O ASP A 81 12.130 1.214 -19.437 1.00 0.00 O ATOM 1440 CB ASP A 81 12.902 -1.541 -20.542 1.00 0.00 C ATOM 1441 CG ASP A 81 13.598 -2.891 -20.846 1.00 0.00 C ATOM 1442 OD1 ASP A 81 14.404 -3.380 -20.026 1.00 0.00 O ATOM 1443 OD2 ASP A 81 13.345 -3.459 -21.929 1.00 0.00 O ATOM 0 H ASP A 81 12.545 -1.672 -18.031 1.00 0.00 H new ATOM 0 HA ASP A 81 14.726 -0.728 -19.716 1.00 0.00 H new ATOM 0 HB2 ASP A 81 11.896 -1.738 -20.171 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.796 -0.981 -21.471 1.00 0.00 H new ATOM 1448 N ALA A 82 14.296 1.655 -19.963 1.00 0.00 N ATOM 1449 CA ALA A 82 14.144 3.107 -20.092 1.00 0.00 C ATOM 1450 C ALA A 82 13.630 3.490 -21.494 1.00 0.00 C ATOM 1451 O ALA A 82 14.382 3.443 -22.481 1.00 0.00 O ATOM 1452 CB ALA A 82 15.470 3.824 -19.778 1.00 0.00 C ATOM 0 H ALA A 82 15.244 1.327 -20.148 1.00 0.00 H new ATOM 0 HA ALA A 82 13.400 3.433 -19.365 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.334 4.901 -19.880 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.777 3.592 -18.758 1.00 0.00 H new ATOM 0 HB3 ALA A 82 16.239 3.488 -20.473 1.00 0.00 H new ATOM 1458 N VAL A 83 12.334 3.839 -21.579 1.00 0.00 N ATOM 1459 CA VAL A 83 11.713 4.320 -22.823 1.00 0.00 C ATOM 1460 C VAL A 83 11.776 5.860 -22.846 1.00 0.00 C ATOM 1461 O VAL A 83 11.057 6.533 -22.101 1.00 0.00 O ATOM 1462 CB VAL A 83 10.217 3.833 -22.956 1.00 0.00 C ATOM 1463 CG1 VAL A 83 9.606 4.201 -24.337 1.00 0.00 C ATOM 1464 CG2 VAL A 83 10.101 2.314 -22.678 1.00 0.00 C ATOM 0 H VAL A 83 11.690 3.795 -20.789 1.00 0.00 H new ATOM 0 HA VAL A 83 12.262 3.908 -23.669 1.00 0.00 H new ATOM 0 HB VAL A 83 9.636 4.361 -22.199 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.576 3.847 -24.385 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.624 5.283 -24.466 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.188 3.731 -25.129 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.060 2.005 -22.776 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.712 1.765 -23.395 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.449 2.102 -21.667 1.00 0.00 H new ATOM 1474 N SER A 84 12.664 6.394 -23.688 1.00 0.00 N ATOM 1475 CA SER A 84 12.822 7.842 -23.899 1.00 0.00 C ATOM 1476 C SER A 84 11.838 8.315 -24.989 1.00 0.00 C ATOM 1477 O SER A 84 11.502 7.540 -25.873 1.00 0.00 O ATOM 1478 CB SER A 84 14.281 8.135 -24.309 1.00 0.00 C ATOM 1479 OG SER A 84 15.194 7.688 -23.316 1.00 0.00 O ATOM 0 H SER A 84 13.302 5.831 -24.250 1.00 0.00 H new ATOM 0 HA SER A 84 12.600 8.383 -22.979 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.501 7.643 -25.257 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.409 9.206 -24.468 1.00 0.00 H new ATOM 0 HG SER A 84 16.110 7.884 -23.602 1.00 0.00 H new ATOM 1485 N VAL A 85 11.350 9.569 -24.915 1.00 0.00 N ATOM 1486 CA VAL A 85 10.422 10.132 -25.920 1.00 0.00 C ATOM 1487 C VAL A 85 10.756 11.615 -26.161 1.00 0.00 C ATOM 1488 O VAL A 85 11.188 12.341 -25.258 1.00 0.00 O ATOM 1489 CB VAL A 85 8.883 9.997 -25.531 1.00 0.00 C ATOM 1490 CG1 VAL A 85 8.456 8.526 -25.256 1.00 0.00 C ATOM 1491 CG2 VAL A 85 8.509 10.910 -24.346 1.00 0.00 C ATOM 0 H VAL A 85 11.585 10.217 -24.163 1.00 0.00 H new ATOM 0 HA VAL A 85 10.566 9.543 -26.826 1.00 0.00 H new ATOM 0 HB VAL A 85 8.323 10.331 -26.405 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.398 8.497 -24.996 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.627 7.925 -26.149 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.044 8.125 -24.430 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.451 10.788 -24.112 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.106 10.639 -23.475 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.704 11.949 -24.611 1.00 0.00 H new ATOM 1501 N PHE A 86 10.553 12.035 -27.401 1.00 0.00 N ATOM 1502 CA PHE A 86 10.662 13.426 -27.851 1.00 0.00 C ATOM 1503 C PHE A 86 9.391 13.704 -28.685 1.00 0.00 C ATOM 1504 O PHE A 86 8.908 12.796 -29.371 1.00 0.00 O ATOM 1505 CB PHE A 86 11.911 13.670 -28.764 1.00 0.00 C ATOM 1506 CG PHE A 86 13.282 13.393 -28.141 1.00 0.00 C ATOM 1507 CD1 PHE A 86 13.689 12.091 -27.887 1.00 0.00 C ATOM 1508 CD2 PHE A 86 14.176 14.425 -27.839 1.00 0.00 C ATOM 1509 CE1 PHE A 86 14.928 11.822 -27.346 1.00 0.00 C ATOM 1510 CE2 PHE A 86 15.425 14.145 -27.302 1.00 0.00 C ATOM 1511 CZ PHE A 86 15.793 12.838 -27.058 1.00 0.00 C ATOM 0 H PHE A 86 10.298 11.397 -28.154 1.00 0.00 H new ATOM 0 HA PHE A 86 10.768 14.078 -26.984 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.809 13.048 -29.653 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.892 14.708 -29.097 1.00 0.00 H new ATOM 0 HD1 PHE A 86 13.023 11.273 -28.117 1.00 0.00 H new ATOM 0 HD2 PHE A 86 13.892 15.450 -28.025 1.00 0.00 H new ATOM 0 HE1 PHE A 86 15.216 10.800 -27.149 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.108 14.950 -27.075 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.764 12.619 -26.640 1.00 0.00 H new ATOM 1521 N PRO A 87 8.823 14.938 -28.632 1.00 0.00 N ATOM 1522 CA PRO A 87 7.746 15.388 -29.557 1.00 0.00 C ATOM 1523 C PRO A 87 8.224 15.438 -31.027 1.00 0.00 C ATOM 1524 O PRO A 87 9.429 15.305 -31.288 1.00 0.00 O ATOM 1525 CB PRO A 87 7.380 16.807 -29.019 1.00 0.00 C ATOM 1526 CG PRO A 87 8.584 17.227 -28.263 1.00 0.00 C ATOM 1527 CD PRO A 87 9.138 15.977 -27.641 1.00 0.00 C ATOM 0 HA PRO A 87 6.895 14.707 -29.573 1.00 0.00 H new ATOM 0 HB2 PRO A 87 7.159 17.497 -29.833 1.00 0.00 H new ATOM 0 HB3 PRO A 87 6.498 16.776 -28.379 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.316 17.692 -28.923 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.329 17.963 -27.500 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.211 16.055 -27.468 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.674 15.768 -26.677 1.00 0.00 H new ATOM 1535 N PRO A 88 7.288 15.614 -32.020 1.00 0.00 N ATOM 1536 CA PRO A 88 7.688 15.739 -33.434 1.00 0.00 C ATOM 1537 C PRO A 88 8.590 16.972 -33.637 1.00 0.00 C ATOM 1538 O PRO A 88 8.254 18.085 -33.202 1.00 0.00 O ATOM 1539 CB PRO A 88 6.330 15.847 -34.180 1.00 0.00 C ATOM 1540 CG PRO A 88 5.374 16.356 -33.146 1.00 0.00 C ATOM 1541 CD PRO A 88 5.810 15.724 -31.851 1.00 0.00 C ATOM 0 HA PRO A 88 8.284 14.904 -33.803 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.396 16.528 -35.029 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.014 14.880 -34.571 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.407 17.444 -33.083 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.348 16.082 -33.391 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.546 16.339 -30.991 1.00 0.00 H new ATOM 0 HD3 PRO A 88 5.346 14.749 -31.700 1.00 0.00 H new ATOM 1549 N VAL A 89 9.736 16.761 -34.310 1.00 0.00 N ATOM 1550 CA VAL A 89 10.824 17.765 -34.390 1.00 0.00 C ATOM 1551 C VAL A 89 10.578 18.807 -35.507 1.00 0.00 C ATOM 1552 O VAL A 89 11.426 19.672 -35.760 1.00 0.00 O ATOM 1553 CB VAL A 89 12.228 17.061 -34.557 1.00 0.00 C ATOM 1554 CG1 VAL A 89 12.532 16.140 -33.345 1.00 0.00 C ATOM 1555 CG2 VAL A 89 12.321 16.272 -35.887 1.00 0.00 C ATOM 0 H VAL A 89 9.938 15.897 -34.812 1.00 0.00 H new ATOM 0 HA VAL A 89 10.829 18.313 -33.447 1.00 0.00 H new ATOM 0 HB VAL A 89 12.984 17.845 -34.590 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.504 15.666 -33.483 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.544 16.734 -32.431 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.762 15.372 -33.269 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.302 15.803 -35.964 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.548 15.504 -35.909 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.178 16.954 -36.725 1.00 0.00 H new ATOM 1565 N ALA A 90 9.389 18.724 -36.133 1.00 0.00 N ATOM 1566 CA ALA A 90 8.918 19.679 -37.145 1.00 0.00 C ATOM 1567 C ALA A 90 7.388 19.547 -37.291 1.00 0.00 C ATOM 1568 O ALA A 90 6.656 20.543 -37.258 1.00 0.00 O ATOM 1569 CB ALA A 90 9.631 19.446 -38.491 1.00 0.00 C ATOM 0 H ALA A 90 8.720 17.978 -35.944 1.00 0.00 H new ATOM 0 HA ALA A 90 9.156 20.693 -36.826 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.266 20.165 -39.225 1.00 0.00 H new ATOM 0 HB2 ALA A 90 10.706 19.574 -38.361 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.426 18.434 -38.841 1.00 0.00 H new ATOM 1575 N GLY A 91 6.928 18.285 -37.427 1.00 0.00 N ATOM 1576 CA GLY A 91 5.500 17.961 -37.595 1.00 0.00 C ATOM 1577 C GLY A 91 5.196 17.448 -39.001 1.00 0.00 C ATOM 1578 O GLY A 91 6.121 17.209 -39.781 1.00 0.00 O ATOM 0 H GLY A 91 7.536 17.466 -37.423 1.00 0.00 H new ATOM 0 HA2 GLY A 91 5.210 17.208 -36.863 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.900 18.849 -37.394 1.00 0.00 H new ATOM 1582 N GLY A 92 3.899 17.274 -39.322 1.00 0.00 N ATOM 1583 CA GLY A 92 3.474 16.811 -40.656 1.00 0.00 C ATOM 1584 C GLY A 92 3.495 15.283 -40.803 1.00 0.00 C ATOM 1585 O GLY A 92 3.773 14.777 -41.913 1.00 0.00 O ATOM 1586 OXT GLY A 92 3.217 14.582 -39.812 1.00 0.00 O ATOM 0 H GLY A 92 3.129 17.447 -38.676 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.466 17.174 -40.855 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.126 17.251 -41.411 1.00 0.00 H new TER 1590 GLY A 92