USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 566 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 40 SER OG : rot 65:sc= 0.517 USER MOD Set 1.2: A 48 ASN : amide:sc= -2.27! K(o=-1.8!,f=-0.84) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0737 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 2ALYS NZ :NH3+ 173:sc= -1.37 (180deg=-1.67) USER MOD Single : A 5 LYS NZ :NH3+ 147:sc= 0.195 (180deg=-0.784) USER MOD Single : A 6 THR OG1 : rot 111:sc= -1.6 USER MOD Single : A 10 SER OG : rot -130:sc= 0 USER MOD Single : A 11 SER OG : rot 80:sc= -0.449 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -160:sc= -2.46 USER MOD Single : A 18 HIS : no HD1:sc= -0.668 K(o=-0.67,f=-0.028) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 30:sc= -1.3 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0919 USER MOD Single : A 50 THR OG1 : rot -73:sc= 1.1 USER MOD Single : A 52 SER OG : rot 180:sc= -0.302 USER MOD Single : A 54 SER OG : rot 180:sc= -0.593 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0.0015 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.00165 USER MOD Single : A 139 SER OG : rot 180:sc= -0.0474 USER MOD Single : A 140 HIS : no HD1:sc= -2.49 K(o=-2.5,f=-7.8!) USER MOD Single : A 143 LYS NZ :NH3+ 167:sc= 0.135 (180deg=0.00529) USER MOD Single : A 146 LYS NZ :NH3+ -129:sc= -0.642 (180deg=-3.25!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.020 11.356 7.721 1.00 0.00 N ATOM 2 CA GLY A 1 3.885 10.531 6.832 1.00 0.00 C ATOM 3 C GLY A 1 4.311 9.230 7.482 1.00 0.00 C ATOM 4 O GLY A 1 4.016 8.987 8.652 1.00 0.00 O ATOM 0 H1 GLY A 1 2.071 11.437 7.304 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.950 10.903 8.655 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.434 12.304 7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.349 10.313 5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.771 11.104 6.559 1.00 0.00 H new ATOM 10 N SER A 2 5.009 8.392 6.723 1.00 0.00 N ATOM 11 CA SER A 2 5.477 7.108 7.232 1.00 0.00 C ATOM 12 C SER A 2 6.826 6.742 6.623 1.00 0.00 C ATOM 13 O SER A 2 7.357 7.468 5.783 1.00 0.00 O ATOM 14 CB SER A 2 4.454 6.011 6.931 1.00 0.00 C ATOM 15 OG SER A 2 3.311 6.138 7.760 1.00 0.00 O ATOM 0 H SER A 2 5.263 8.579 5.753 1.00 0.00 H new ATOM 0 HA SER A 2 5.597 7.196 8.312 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.156 6.065 5.884 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.910 5.033 7.082 1.00 0.00 H new ATOM 0 HG SER A 2 2.672 5.426 7.547 1.00 0.00 H new ATOM 21 N LYS A 2A 7.377 5.610 7.054 1.00 0.00 N ATOM 22 CA LYS A 2A 8.668 5.146 6.553 1.00 0.00 C ATOM 23 C LYS A 2A 8.706 5.162 5.025 1.00 0.00 C ATOM 24 O LYS A 2A 9.694 5.590 4.431 1.00 0.00 O ATOM 25 CB LYS A 2A 8.977 3.741 7.092 1.00 0.00 C ATOM 26 CG LYS A 2A 8.338 2.601 6.307 1.00 0.00 C ATOM 27 CD LYS A 2A 6.841 2.506 6.560 1.00 0.00 C ATOM 28 CE LYS A 2A 6.529 1.593 7.735 1.00 0.00 C ATOM 29 NZ LYS A 2A 7.262 1.998 8.966 1.00 0.00 N ATOM 0 H LYS A 2A 6.950 4.997 7.749 1.00 0.00 H new ATOM 0 HA LYS A 2A 9.437 5.831 6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 2A 10.058 3.599 7.098 1.00 0.00 H new ATOM 0 HB3 LYS A 2A 8.642 3.683 8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 2A 8.517 2.749 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 2A 8.813 1.660 6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 2A 6.441 3.501 6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 2A 6.343 2.132 5.665 1.00 0.00 H new ATOM 0 HE2 LYS A 2A 5.457 1.607 7.930 1.00 0.00 H new ATOM 0 HE3 LYS A 2A 6.793 0.567 7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 2A 6.933 1.426 9.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 2A 8.282 1.847 8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 2A 7.084 3.004 9.161 1.00 0.00 H new ATOM 43 N LEU A 2B 7.615 4.696 4.409 1.00 0.00 N ATOM 44 CA LEU A 2B 7.475 4.640 2.947 1.00 0.00 C ATOM 45 C LEU A 2B 8.825 4.574 2.224 1.00 0.00 C ATOM 46 O LEU A 2B 9.292 3.491 1.877 1.00 0.00 O ATOM 47 CB LEU A 2B 6.653 5.836 2.448 1.00 0.00 C ATOM 48 CG LEU A 2B 5.382 5.472 1.673 1.00 0.00 C ATOM 49 CD1 LEU A 2B 4.574 4.424 2.422 1.00 0.00 C ATOM 50 CD2 LEU A 2B 4.539 6.714 1.417 1.00 0.00 C ATOM 0 H LEU A 2B 6.799 4.345 4.911 1.00 0.00 H new ATOM 0 HA LEU A 2B 6.949 3.715 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 2B 6.374 6.449 3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 2B 7.286 6.451 1.809 1.00 0.00 H new ATOM 0 HG LEU A 2B 5.678 5.051 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 2B 3.677 4.181 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 2B 5.176 3.525 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 2B 4.290 4.814 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 2B 3.641 6.437 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 2B 4.256 7.164 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 2B 5.116 7.431 0.833 1.00 0.00 H new ATOM 62 N GLU A 3 9.444 5.733 1.995 1.00 0.00 N ATOM 63 CA GLU A 3 10.735 5.798 1.310 1.00 0.00 C ATOM 64 C GLU A 3 10.734 4.939 0.045 1.00 0.00 C ATOM 65 O GLU A 3 9.688 4.457 -0.388 1.00 0.00 O ATOM 66 CB GLU A 3 11.865 5.361 2.248 1.00 0.00 C ATOM 67 CG GLU A 3 11.858 3.876 2.572 1.00 0.00 C ATOM 68 CD GLU A 3 13.155 3.411 3.202 1.00 0.00 C ATOM 69 OE1 GLU A 3 14.218 3.968 2.854 1.00 0.00 O ATOM 70 OE2 GLU A 3 13.109 2.489 4.043 1.00 0.00 O ATOM 0 H GLU A 3 9.071 6.640 2.274 1.00 0.00 H new ATOM 0 HA GLU A 3 10.904 6.834 1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.821 5.619 1.793 1.00 0.00 H new ATOM 0 HB3 GLU A 3 11.791 5.926 3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.032 3.659 3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.679 3.309 1.658 1.00 0.00 H new ATOM 77 N GLY A 4 11.914 4.755 -0.541 1.00 0.00 N ATOM 78 CA GLY A 4 12.026 3.957 -1.749 1.00 0.00 C ATOM 79 C GLY A 4 11.553 2.530 -1.550 1.00 0.00 C ATOM 80 O GLY A 4 12.222 1.733 -0.892 1.00 0.00 O ATOM 0 H GLY A 4 12.794 5.144 -0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.442 4.422 -2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.064 3.949 -2.080 1.00 0.00 H new ATOM 84 N LYS A 5 10.396 2.206 -2.118 1.00 0.00 N ATOM 85 CA LYS A 5 9.832 0.866 -1.999 1.00 0.00 C ATOM 86 C LYS A 5 9.455 0.310 -3.365 1.00 0.00 C ATOM 87 O LYS A 5 8.295 0.372 -3.764 1.00 0.00 O ATOM 88 CB LYS A 5 8.604 0.891 -1.094 1.00 0.00 C ATOM 89 CG LYS A 5 8.932 1.234 0.344 1.00 0.00 C ATOM 90 CD LYS A 5 9.500 0.037 1.085 1.00 0.00 C ATOM 91 CE LYS A 5 9.518 0.275 2.586 1.00 0.00 C ATOM 92 NZ LYS A 5 9.392 -0.994 3.355 1.00 0.00 N ATOM 0 H LYS A 5 9.830 2.854 -2.666 1.00 0.00 H new ATOM 0 HA LYS A 5 10.590 0.217 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.890 1.618 -1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.116 -0.083 -1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.650 2.053 0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.032 1.583 0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.904 -0.848 0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.512 -0.164 0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.446 0.775 2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.702 0.945 2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.933 -0.919 4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.391 -1.169 3.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.765 -1.782 2.788 1.00 0.00 H new ATOM 106 N THR A 6 10.447 -0.231 -4.076 1.00 0.00 N ATOM 107 CA THR A 6 10.237 -0.802 -5.410 1.00 0.00 C ATOM 108 C THR A 6 9.419 0.142 -6.293 1.00 0.00 C ATOM 109 O THR A 6 9.971 0.856 -7.131 1.00 0.00 O ATOM 110 CB THR A 6 9.560 -2.183 -5.331 1.00 0.00 C ATOM 111 OG1 THR A 6 8.662 -2.370 -6.412 1.00 0.00 O ATOM 112 CG2 THR A 6 8.786 -2.423 -4.052 1.00 0.00 C ATOM 0 H THR A 6 11.411 -0.286 -3.747 1.00 0.00 H new ATOM 0 HA THR A 6 11.219 -0.932 -5.864 1.00 0.00 H new ATOM 0 HB THR A 6 10.386 -2.893 -5.367 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.018 -3.053 -7.018 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.341 -3.418 -4.077 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.461 -2.349 -3.199 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.998 -1.675 -3.958 1.00 0.00 H new ATOM 120 N CYS A 7 8.104 0.146 -6.092 1.00 0.00 N ATOM 121 CA CYS A 7 7.203 1.005 -6.856 1.00 0.00 C ATOM 122 C CYS A 7 6.993 0.460 -8.265 1.00 0.00 C ATOM 123 O CYS A 7 6.931 1.218 -9.233 1.00 0.00 O ATOM 124 CB CYS A 7 7.742 2.441 -6.923 1.00 0.00 C ATOM 125 SG CYS A 7 8.574 3.002 -5.399 1.00 0.00 S ATOM 0 H CYS A 7 7.636 -0.441 -5.401 1.00 0.00 H new ATOM 0 HA CYS A 7 6.242 1.017 -6.342 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.443 2.515 -7.754 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.916 3.117 -7.142 1.00 0.00 H new ATOM 130 N GLY A 8 6.881 -0.860 -8.372 1.00 0.00 N ATOM 131 CA GLY A 8 6.675 -1.488 -9.664 1.00 0.00 C ATOM 132 C GLY A 8 5.492 -2.438 -9.661 1.00 0.00 C ATOM 133 O GLY A 8 4.451 -2.138 -10.246 1.00 0.00 O ATOM 0 H GLY A 8 6.929 -1.507 -7.585 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.517 -0.718 -10.419 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.575 -2.033 -9.948 1.00 0.00 H new ATOM 137 N PRO A 9 5.621 -3.600 -8.998 1.00 0.00 N ATOM 138 CA PRO A 9 4.554 -4.591 -8.917 1.00 0.00 C ATOM 139 C PRO A 9 3.602 -4.312 -7.762 1.00 0.00 C ATOM 140 O PRO A 9 4.001 -4.341 -6.598 1.00 0.00 O ATOM 141 CB PRO A 9 5.323 -5.884 -8.676 1.00 0.00 C ATOM 142 CG PRO A 9 6.516 -5.468 -7.880 1.00 0.00 C ATOM 143 CD PRO A 9 6.823 -4.038 -8.264 1.00 0.00 C ATOM 0 HA PRO A 9 3.923 -4.606 -9.806 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.718 -6.610 -8.134 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.617 -6.352 -9.616 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.314 -5.546 -6.812 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.367 -6.116 -8.092 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.002 -3.418 -7.385 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.716 -3.975 -8.886 1.00 0.00 H new ATOM 151 N SER A 10 2.346 -4.032 -8.086 1.00 0.00 N ATOM 152 CA SER A 10 1.348 -3.738 -7.066 1.00 0.00 C ATOM 153 C SER A 10 1.794 -2.551 -6.217 1.00 0.00 C ATOM 154 O SER A 10 1.910 -2.652 -4.996 1.00 0.00 O ATOM 155 CB SER A 10 1.112 -4.961 -6.178 1.00 0.00 C ATOM 156 OG SER A 10 0.570 -6.037 -6.924 1.00 0.00 O ATOM 0 H SER A 10 1.995 -4.002 -9.043 1.00 0.00 H new ATOM 0 HA SER A 10 0.412 -3.484 -7.563 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.052 -5.269 -5.721 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.433 -4.699 -5.366 1.00 0.00 H new ATOM 0 HG SER A 10 -0.218 -6.391 -6.462 1.00 0.00 H new ATOM 162 N SER A 11 2.054 -1.430 -6.880 1.00 0.00 N ATOM 163 CA SER A 11 2.498 -0.222 -6.197 1.00 0.00 C ATOM 164 C SER A 11 1.665 0.986 -6.613 1.00 0.00 C ATOM 165 O SER A 11 1.050 0.993 -7.679 1.00 0.00 O ATOM 166 CB SER A 11 3.972 0.041 -6.502 1.00 0.00 C ATOM 167 OG SER A 11 4.745 -1.136 -6.346 1.00 0.00 O ATOM 0 H SER A 11 1.965 -1.333 -7.891 1.00 0.00 H new ATOM 0 HA SER A 11 2.369 -0.376 -5.126 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.074 0.414 -7.521 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.350 0.818 -5.838 1.00 0.00 H new ATOM 0 HG SER A 11 4.647 -1.700 -7.142 1.00 0.00 H new ATOM 173 N PHE A 12 1.660 2.008 -5.764 1.00 0.00 N ATOM 174 CA PHE A 12 0.914 3.231 -6.037 1.00 0.00 C ATOM 175 C PHE A 12 1.711 4.458 -5.601 1.00 0.00 C ATOM 176 O PHE A 12 2.009 4.626 -4.420 1.00 0.00 O ATOM 177 CB PHE A 12 -0.438 3.207 -5.318 1.00 0.00 C ATOM 178 CG PHE A 12 -1.121 4.546 -5.279 1.00 0.00 C ATOM 179 CD1 PHE A 12 -1.555 5.151 -6.448 1.00 0.00 C ATOM 180 CD2 PHE A 12 -1.320 5.202 -4.075 1.00 0.00 C ATOM 181 CE1 PHE A 12 -2.176 6.385 -6.417 1.00 0.00 C ATOM 182 CE2 PHE A 12 -1.942 6.435 -4.037 1.00 0.00 C ATOM 183 CZ PHE A 12 -2.371 7.027 -5.209 1.00 0.00 C ATOM 0 H PHE A 12 2.166 2.013 -4.878 1.00 0.00 H new ATOM 0 HA PHE A 12 0.742 3.289 -7.112 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.091 2.489 -5.814 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.292 2.853 -4.298 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.406 4.652 -7.394 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.985 4.744 -3.156 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.508 6.847 -7.335 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.093 6.936 -3.092 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.858 7.990 -5.181 1.00 0.00 H new ATOM 193 N SER A 13 2.046 5.315 -6.558 1.00 0.00 N ATOM 194 CA SER A 13 2.800 6.527 -6.261 1.00 0.00 C ATOM 195 C SER A 13 1.963 7.488 -5.422 1.00 0.00 C ATOM 196 O SER A 13 0.876 7.898 -5.829 1.00 0.00 O ATOM 197 CB SER A 13 3.244 7.209 -7.554 1.00 0.00 C ATOM 198 OG SER A 13 3.596 8.562 -7.325 1.00 0.00 O ATOM 0 H SER A 13 1.809 5.194 -7.543 1.00 0.00 H new ATOM 0 HA SER A 13 3.685 6.247 -5.690 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.096 6.675 -7.976 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.441 7.159 -8.289 1.00 0.00 H new ATOM 0 HG SER A 13 3.878 8.974 -8.168 1.00 0.00 H new ATOM 204 N CYS A 14 2.475 7.842 -4.247 1.00 0.00 N ATOM 205 CA CYS A 14 1.772 8.752 -3.349 1.00 0.00 C ATOM 206 C CYS A 14 1.500 10.092 -4.034 1.00 0.00 C ATOM 207 O CYS A 14 2.429 10.801 -4.419 1.00 0.00 O ATOM 208 CB CYS A 14 2.582 8.971 -2.069 1.00 0.00 C ATOM 209 SG CYS A 14 2.264 7.747 -0.753 1.00 0.00 S ATOM 0 H CYS A 14 3.374 7.513 -3.895 1.00 0.00 H new ATOM 0 HA CYS A 14 0.816 8.298 -3.088 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.643 8.951 -2.318 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.364 9.966 -1.682 1.00 0.00 H new ATOM 214 N PRO A 15 0.215 10.454 -4.200 1.00 0.00 N ATOM 215 CA PRO A 15 -0.180 11.711 -4.847 1.00 0.00 C ATOM 216 C PRO A 15 0.453 12.935 -4.195 1.00 0.00 C ATOM 217 O PRO A 15 0.356 13.126 -2.983 1.00 0.00 O ATOM 218 CB PRO A 15 -1.699 11.746 -4.664 1.00 0.00 C ATOM 219 CG PRO A 15 -2.095 10.322 -4.493 1.00 0.00 C ATOM 220 CD PRO A 15 -0.952 9.664 -3.775 1.00 0.00 C ATOM 0 HA PRO A 15 0.144 11.743 -5.887 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.979 12.341 -3.795 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.191 12.192 -5.528 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.018 10.239 -3.919 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.276 9.848 -5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.086 9.694 -2.694 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.851 8.615 -4.055 1.00 0.00 H new ATOM 228 N GLY A 16 1.095 13.766 -5.010 1.00 0.00 N ATOM 229 CA GLY A 16 1.727 14.969 -4.500 1.00 0.00 C ATOM 230 C GLY A 16 3.167 14.748 -4.077 1.00 0.00 C ATOM 231 O GLY A 16 3.991 15.657 -4.165 1.00 0.00 O ATOM 0 H GLY A 16 1.189 13.627 -6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.694 15.743 -5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.157 15.339 -3.648 1.00 0.00 H new ATOM 235 N THR A 17 3.470 13.541 -3.610 1.00 0.00 N ATOM 236 CA THR A 17 4.819 13.210 -3.166 1.00 0.00 C ATOM 237 C THR A 17 5.470 12.194 -4.097 1.00 0.00 C ATOM 238 O THR A 17 4.844 11.215 -4.501 1.00 0.00 O ATOM 239 CB THR A 17 4.780 12.658 -1.740 1.00 0.00 C ATOM 240 OG1 THR A 17 3.783 11.658 -1.615 1.00 0.00 O ATOM 241 CG2 THR A 17 4.497 13.717 -0.698 1.00 0.00 C ATOM 0 H THR A 17 2.800 12.776 -3.529 1.00 0.00 H new ATOM 0 HA THR A 17 5.415 14.122 -3.185 1.00 0.00 H new ATOM 0 HB THR A 17 5.775 12.249 -1.562 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.551 11.544 -0.670 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.483 13.259 0.291 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.275 14.480 -0.734 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.529 14.176 -0.899 1.00 0.00 H new ATOM 249 N HIS A 18 6.736 12.428 -4.427 1.00 0.00 N ATOM 250 CA HIS A 18 7.478 11.528 -5.303 1.00 0.00 C ATOM 251 C HIS A 18 7.473 10.105 -4.749 1.00 0.00 C ATOM 252 O HIS A 18 7.663 9.139 -5.487 1.00 0.00 O ATOM 253 CB HIS A 18 8.918 12.016 -5.466 1.00 0.00 C ATOM 254 CG HIS A 18 9.598 12.315 -4.166 1.00 0.00 C ATOM 255 ND1 HIS A 18 10.412 11.425 -3.502 1.00 0.00 N ATOM 256 CD2 HIS A 18 9.571 13.438 -3.403 1.00 0.00 C ATOM 257 CE1 HIS A 18 10.843 12.019 -2.381 1.00 0.00 C ATOM 258 NE2 HIS A 18 10.362 13.242 -2.275 1.00 0.00 N ATOM 0 H HIS A 18 7.270 13.234 -4.101 1.00 0.00 H new ATOM 0 HA HIS A 18 6.989 11.523 -6.277 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.491 11.259 -6.001 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.921 12.914 -6.084 1.00 0.00 H new ATOM 0 HD2 HIS A 18 9.023 14.339 -3.635 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.499 11.556 -1.658 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.534 13.907 -1.521 1.00 0.00 H new ATOM 266 N VAL A 19 7.253 9.989 -3.444 1.00 0.00 N ATOM 267 CA VAL A 19 7.220 8.694 -2.780 1.00 0.00 C ATOM 268 C VAL A 19 6.183 7.771 -3.413 1.00 0.00 C ATOM 269 O VAL A 19 5.199 8.230 -3.992 1.00 0.00 O ATOM 270 CB VAL A 19 6.906 8.861 -1.280 1.00 0.00 C ATOM 271 CG1 VAL A 19 5.629 9.665 -1.088 1.00 0.00 C ATOM 272 CG2 VAL A 19 6.802 7.509 -0.591 1.00 0.00 C ATOM 0 H VAL A 19 7.094 10.782 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 19 8.206 8.244 -2.897 1.00 0.00 H new ATOM 0 HB VAL A 19 7.729 9.409 -0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.423 9.773 -0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.749 10.651 -1.536 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.798 9.148 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.580 7.655 0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.005 6.926 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.747 6.975 -0.693 1.00 0.00 H new ATOM 282 N CYS A 20 6.411 6.467 -3.292 1.00 0.00 N ATOM 283 CA CYS A 20 5.496 5.474 -3.845 1.00 0.00 C ATOM 284 C CYS A 20 5.082 4.470 -2.774 1.00 0.00 C ATOM 285 O CYS A 20 5.925 3.865 -2.111 1.00 0.00 O ATOM 286 CB CYS A 20 6.123 4.750 -5.044 1.00 0.00 C ATOM 287 SG CYS A 20 7.935 4.913 -5.171 1.00 0.00 S ATOM 0 H CYS A 20 7.222 6.073 -2.816 1.00 0.00 H new ATOM 0 HA CYS A 20 4.606 5.997 -4.194 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.870 3.691 -4.984 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.672 5.134 -5.959 1.00 0.00 H new ATOM 292 N VAL A 21 3.775 4.314 -2.602 1.00 0.00 N ATOM 293 CA VAL A 21 3.230 3.402 -1.605 1.00 0.00 C ATOM 294 C VAL A 21 2.707 2.115 -2.250 1.00 0.00 C ATOM 295 O VAL A 21 1.948 2.161 -3.218 1.00 0.00 O ATOM 296 CB VAL A 21 2.091 4.084 -0.819 1.00 0.00 C ATOM 297 CG1 VAL A 21 1.075 4.686 -1.776 1.00 0.00 C ATOM 298 CG2 VAL A 21 1.422 3.109 0.139 1.00 0.00 C ATOM 0 H VAL A 21 3.069 4.811 -3.145 1.00 0.00 H new ATOM 0 HA VAL A 21 4.039 3.141 -0.922 1.00 0.00 H new ATOM 0 HB VAL A 21 2.524 4.887 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.277 5.164 -1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.565 5.428 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.653 3.899 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.624 3.619 0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.004 2.275 -0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.158 2.734 0.850 1.00 0.00 H new ATOM 308 N PRO A 22 3.104 0.944 -1.716 1.00 0.00 N ATOM 309 CA PRO A 22 2.668 -0.357 -2.242 1.00 0.00 C ATOM 310 C PRO A 22 1.151 -0.512 -2.220 1.00 0.00 C ATOM 311 O PRO A 22 0.465 0.134 -1.428 1.00 0.00 O ATOM 312 CB PRO A 22 3.316 -1.371 -1.294 1.00 0.00 C ATOM 313 CG PRO A 22 4.443 -0.637 -0.652 1.00 0.00 C ATOM 314 CD PRO A 22 4.005 0.795 -0.560 1.00 0.00 C ATOM 0 HA PRO A 22 2.957 -0.485 -3.285 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.603 -1.727 -0.550 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.674 -2.246 -1.837 1.00 0.00 H new ATOM 0 HG2 PRO A 22 4.660 -1.043 0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.355 -0.729 -1.242 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.492 1.000 0.380 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.851 1.480 -0.617 1.00 0.00 H new ATOM 322 N GLU A 23 0.632 -1.374 -3.090 1.00 0.00 N ATOM 323 CA GLU A 23 -0.807 -1.610 -3.163 1.00 0.00 C ATOM 324 C GLU A 23 -1.335 -2.168 -1.845 1.00 0.00 C ATOM 325 O GLU A 23 -2.459 -1.875 -1.445 1.00 0.00 O ATOM 326 CB GLU A 23 -1.136 -2.565 -4.310 1.00 0.00 C ATOM 327 CG GLU A 23 -2.306 -2.104 -5.162 1.00 0.00 C ATOM 328 CD GLU A 23 -2.292 -2.714 -6.550 1.00 0.00 C ATOM 329 OE1 GLU A 23 -2.594 -3.920 -6.671 1.00 0.00 O ATOM 330 OE2 GLU A 23 -1.978 -1.986 -7.515 1.00 0.00 O ATOM 0 H GLU A 23 1.184 -1.919 -3.752 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.296 -0.654 -3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.256 -2.676 -4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.360 -3.550 -3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.239 -2.366 -4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.284 -1.017 -5.246 1.00 0.00 H new ATOM 337 N ARG A 24 -0.518 -2.967 -1.167 1.00 0.00 N ATOM 338 CA ARG A 24 -0.918 -3.542 0.111 1.00 0.00 C ATOM 339 C ARG A 24 -0.937 -2.468 1.191 1.00 0.00 C ATOM 340 O ARG A 24 -1.652 -2.583 2.186 1.00 0.00 O ATOM 341 CB ARG A 24 0.031 -4.670 0.516 1.00 0.00 C ATOM 342 CG ARG A 24 -0.322 -5.309 1.847 1.00 0.00 C ATOM 343 CD ARG A 24 0.372 -4.613 3.005 1.00 0.00 C ATOM 344 NE ARG A 24 -0.503 -4.479 4.168 1.00 0.00 N ATOM 345 CZ ARG A 24 -0.530 -5.337 5.186 1.00 0.00 C ATOM 346 NH1 ARG A 24 0.272 -6.395 5.201 1.00 0.00 N ATOM 347 NH2 ARG A 24 -1.364 -5.135 6.197 1.00 0.00 N ATOM 0 H ARG A 24 0.417 -3.229 -1.478 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.921 -3.953 0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.024 -5.436 -0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.047 -4.279 0.568 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.401 -5.272 1.994 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.039 -6.361 1.832 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.263 -5.176 3.285 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.706 -3.625 2.687 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.133 -3.677 4.202 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.917 -6.557 4.428 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.243 -7.046 5.986 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.983 -4.324 6.194 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.387 -5.791 6.978 1.00 0.00 H new ATOM 361 N TRP A 25 -0.149 -1.418 0.980 1.00 0.00 N ATOM 362 CA TRP A 25 -0.073 -0.314 1.925 1.00 0.00 C ATOM 363 C TRP A 25 -1.214 0.678 1.698 1.00 0.00 C ATOM 364 O TRP A 25 -1.320 1.684 2.398 1.00 0.00 O ATOM 365 CB TRP A 25 1.272 0.401 1.788 1.00 0.00 C ATOM 366 CG TRP A 25 2.454 -0.460 2.123 1.00 0.00 C ATOM 367 CD1 TRP A 25 2.550 -1.817 1.992 1.00 0.00 C ATOM 368 CD2 TRP A 25 3.714 -0.019 2.640 1.00 0.00 C ATOM 369 NE1 TRP A 25 3.790 -2.244 2.402 1.00 0.00 N ATOM 370 CE2 TRP A 25 4.524 -1.159 2.802 1.00 0.00 C ATOM 371 CE3 TRP A 25 4.236 1.231 2.982 1.00 0.00 C ATOM 372 CZ2 TRP A 25 5.825 -1.085 3.290 1.00 0.00 C ATOM 373 CZ3 TRP A 25 5.528 1.304 3.466 1.00 0.00 C ATOM 374 CH2 TRP A 25 6.310 0.152 3.616 1.00 0.00 C ATOM 0 H TRP A 25 0.447 -1.310 0.159 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.165 -0.720 2.932 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.377 0.764 0.766 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.276 1.276 2.439 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.766 -2.460 1.620 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.112 -3.212 2.408 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.640 2.125 2.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.430 -1.972 3.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 5.942 2.265 3.733 1.00 0.00 H new ATOM 0 HH2 TRP A 25 7.317 0.242 3.997 1.00 0.00 H new ATOM 385 N LEU A 26 -2.065 0.390 0.713 1.00 0.00 N ATOM 386 CA LEU A 26 -3.193 1.257 0.396 1.00 0.00 C ATOM 387 C LEU A 26 -4.276 1.154 1.464 1.00 0.00 C ATOM 388 O LEU A 26 -4.602 2.134 2.131 1.00 0.00 O ATOM 389 CB LEU A 26 -3.775 0.887 -0.973 1.00 0.00 C ATOM 390 CG LEU A 26 -3.247 1.691 -2.167 1.00 0.00 C ATOM 391 CD1 LEU A 26 -1.772 2.029 -1.999 1.00 0.00 C ATOM 392 CD2 LEU A 26 -3.472 0.921 -3.458 1.00 0.00 C ATOM 0 H LEU A 26 -1.992 -0.438 0.122 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.833 2.286 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.578 -0.169 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.858 1.007 -0.930 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.800 2.629 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.429 2.599 -2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.635 2.622 -1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.194 1.108 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.093 1.502 -4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.946 -0.033 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.538 0.741 -3.593 1.00 0.00 H new ATOM 404 N CYS A 27 -4.836 -0.041 1.613 1.00 0.00 N ATOM 405 CA CYS A 27 -5.895 -0.277 2.592 1.00 0.00 C ATOM 406 C CYS A 27 -5.415 -1.195 3.716 1.00 0.00 C ATOM 407 O CYS A 27 -6.148 -2.080 4.159 1.00 0.00 O ATOM 408 CB CYS A 27 -7.124 -0.898 1.917 1.00 0.00 C ATOM 409 SG CYS A 27 -7.294 -0.518 0.142 1.00 0.00 S ATOM 0 H CYS A 27 -4.575 -0.863 1.069 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.166 0.688 3.020 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -7.081 -1.980 2.040 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -8.019 -0.554 2.435 1.00 0.00 H new ATOM 414 N ASP A 28 -4.186 -0.985 4.175 1.00 0.00 N ATOM 415 CA ASP A 28 -3.623 -1.803 5.244 1.00 0.00 C ATOM 416 C ASP A 28 -4.230 -1.436 6.598 1.00 0.00 C ATOM 417 O ASP A 28 -4.231 -2.246 7.525 1.00 0.00 O ATOM 418 CB ASP A 28 -2.099 -1.653 5.287 1.00 0.00 C ATOM 419 CG ASP A 28 -1.655 -0.277 5.745 1.00 0.00 C ATOM 420 OD1 ASP A 28 -2.014 0.119 6.874 1.00 0.00 O ATOM 421 OD2 ASP A 28 -0.946 0.404 4.975 1.00 0.00 O ATOM 0 H ASP A 28 -3.562 -0.258 3.825 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.868 -2.844 5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.684 -2.405 5.957 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.691 -1.850 4.295 1.00 0.00 H new ATOM 426 N GLY A 29 -4.745 -0.214 6.706 1.00 0.00 N ATOM 427 CA GLY A 29 -5.346 0.230 7.951 1.00 0.00 C ATOM 428 C GLY A 29 -4.579 1.367 8.601 1.00 0.00 C ATOM 429 O GLY A 29 -4.658 1.566 9.813 1.00 0.00 O ATOM 0 H GLY A 29 -4.757 0.475 5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.370 0.551 7.761 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.398 -0.610 8.644 1.00 0.00 H new ATOM 433 N ASP A 30 -3.839 2.114 7.790 1.00 0.00 N ATOM 434 CA ASP A 30 -3.053 3.241 8.280 1.00 0.00 C ATOM 435 C ASP A 30 -2.538 4.077 7.114 1.00 0.00 C ATOM 436 O ASP A 30 -1.752 3.599 6.297 1.00 0.00 O ATOM 437 CB ASP A 30 -1.879 2.745 9.126 1.00 0.00 C ATOM 438 CG ASP A 30 -2.238 2.615 10.593 1.00 0.00 C ATOM 439 OD1 ASP A 30 -3.074 3.410 11.072 1.00 0.00 O ATOM 440 OD2 ASP A 30 -1.685 1.717 11.262 1.00 0.00 O ATOM 0 H ASP A 30 -3.767 1.959 6.785 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.696 3.864 8.902 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.546 1.778 8.749 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.041 3.434 9.019 1.00 0.00 H new ATOM 445 N LYS A 31 -2.989 5.325 7.035 1.00 0.00 N ATOM 446 CA LYS A 31 -2.579 6.220 5.957 1.00 0.00 C ATOM 447 C LYS A 31 -1.061 6.273 5.827 1.00 0.00 C ATOM 448 O LYS A 31 -0.374 6.883 6.647 1.00 0.00 O ATOM 449 CB LYS A 31 -3.130 7.625 6.194 1.00 0.00 C ATOM 450 CG LYS A 31 -4.646 7.695 6.137 1.00 0.00 C ATOM 451 CD LYS A 31 -5.155 9.068 6.543 1.00 0.00 C ATOM 452 CE LYS A 31 -6.414 9.443 5.778 1.00 0.00 C ATOM 453 NZ LYS A 31 -7.632 9.340 6.628 1.00 0.00 N ATOM 0 H LYS A 31 -3.638 5.740 7.704 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.987 5.827 5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.794 7.980 7.168 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.714 8.301 5.447 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.984 7.464 5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.071 6.938 6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.361 9.079 7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.381 9.813 6.360 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.320 10.461 5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.520 8.791 4.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.469 9.604 6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.737 8.363 6.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.543 9.981 7.442 1.00 0.00 H new ATOM 467 N ASP A 32 -0.550 5.629 4.785 1.00 0.00 N ATOM 468 CA ASP A 32 0.883 5.594 4.531 1.00 0.00 C ATOM 469 C ASP A 32 1.333 6.853 3.800 1.00 0.00 C ATOM 470 O ASP A 32 2.386 7.416 4.100 1.00 0.00 O ATOM 471 CB ASP A 32 1.239 4.360 3.703 1.00 0.00 C ATOM 472 CG ASP A 32 0.851 3.067 4.394 1.00 0.00 C ATOM 473 OD1 ASP A 32 -0.358 2.752 4.429 1.00 0.00 O ATOM 474 OD2 ASP A 32 1.756 2.369 4.899 1.00 0.00 O ATOM 0 H ASP A 32 -1.110 5.122 4.100 1.00 0.00 H new ATOM 0 HA ASP A 32 1.399 5.546 5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.737 4.417 2.737 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.311 4.355 3.505 1.00 0.00 H new ATOM 479 N CYS A 33 0.527 7.288 2.838 1.00 0.00 N ATOM 480 CA CYS A 33 0.839 8.481 2.061 1.00 0.00 C ATOM 481 C CYS A 33 0.815 9.722 2.948 1.00 0.00 C ATOM 482 O CYS A 33 0.661 9.625 4.165 1.00 0.00 O ATOM 483 CB CYS A 33 -0.156 8.645 0.907 1.00 0.00 C ATOM 484 SG CYS A 33 0.237 7.680 -0.595 1.00 0.00 S ATOM 0 H CYS A 33 -0.347 6.832 2.578 1.00 0.00 H new ATOM 0 HA CYS A 33 1.841 8.365 1.649 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.147 8.356 1.258 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.208 9.700 0.639 1.00 0.00 H new ATOM 489 N ALA A 34 0.977 10.885 2.329 1.00 0.00 N ATOM 490 CA ALA A 34 0.981 12.147 3.056 1.00 0.00 C ATOM 491 C ALA A 34 -0.395 12.477 3.626 1.00 0.00 C ATOM 492 O ALA A 34 -0.510 12.931 4.765 1.00 0.00 O ATOM 493 CB ALA A 34 1.454 13.268 2.145 1.00 0.00 C ATOM 0 H ALA A 34 1.108 10.980 1.322 1.00 0.00 H new ATOM 0 HA ALA A 34 1.669 12.046 3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.454 14.209 2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.464 13.052 1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.784 13.349 1.289 1.00 0.00 H new ATOM 499 N ASP A 35 -1.438 12.259 2.830 1.00 0.00 N ATOM 500 CA ASP A 35 -2.800 12.549 3.266 1.00 0.00 C ATOM 501 C ASP A 35 -3.707 11.330 3.127 1.00 0.00 C ATOM 502 O ASP A 35 -4.885 11.458 2.792 1.00 0.00 O ATOM 503 CB ASP A 35 -3.373 13.717 2.461 1.00 0.00 C ATOM 504 CG ASP A 35 -4.216 14.647 3.311 1.00 0.00 C ATOM 505 OD1 ASP A 35 -5.097 14.147 4.042 1.00 0.00 O ATOM 506 OD2 ASP A 35 -3.996 15.875 3.246 1.00 0.00 O ATOM 0 H ASP A 35 -1.367 11.884 1.884 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.759 12.819 4.321 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.555 14.281 2.012 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.979 13.328 1.643 1.00 0.00 H new ATOM 511 N GLY A 36 -3.157 10.149 3.391 1.00 0.00 N ATOM 512 CA GLY A 36 -3.943 8.932 3.294 1.00 0.00 C ATOM 513 C GLY A 36 -4.416 8.647 1.883 1.00 0.00 C ATOM 514 O GLY A 36 -5.385 7.914 1.684 1.00 0.00 O ATOM 0 H GLY A 36 -2.185 10.013 3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.347 8.091 3.649 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.808 9.010 3.953 1.00 0.00 H new ATOM 518 N ALA A 37 -3.727 9.215 0.900 1.00 0.00 N ATOM 519 CA ALA A 37 -4.080 9.003 -0.497 1.00 0.00 C ATOM 520 C ALA A 37 -4.088 7.515 -0.823 1.00 0.00 C ATOM 521 O ALA A 37 -4.896 7.044 -1.622 1.00 0.00 O ATOM 522 CB ALA A 37 -3.108 9.738 -1.402 1.00 0.00 C ATOM 0 H ALA A 37 -2.922 9.825 1.045 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.081 9.399 -0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.383 9.571 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.144 10.805 -1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.098 9.366 -1.230 1.00 0.00 H new ATOM 528 N ASP A 38 -3.182 6.781 -0.184 1.00 0.00 N ATOM 529 CA ASP A 38 -3.079 5.344 -0.387 1.00 0.00 C ATOM 530 C ASP A 38 -4.380 4.658 0.017 1.00 0.00 C ATOM 531 O ASP A 38 -4.853 3.748 -0.662 1.00 0.00 O ATOM 532 CB ASP A 38 -1.908 4.781 0.421 1.00 0.00 C ATOM 533 CG ASP A 38 -2.140 4.867 1.915 1.00 0.00 C ATOM 534 OD1 ASP A 38 -1.769 5.896 2.516 1.00 0.00 O ATOM 535 OD2 ASP A 38 -2.693 3.904 2.484 1.00 0.00 O ATOM 0 H ASP A 38 -2.508 7.161 0.480 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.899 5.151 -1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.745 3.740 0.141 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.999 5.326 0.166 1.00 0.00 H new ATOM 540 N GLU A 39 -4.961 5.115 1.122 1.00 0.00 N ATOM 541 CA GLU A 39 -6.217 4.559 1.608 1.00 0.00 C ATOM 542 C GLU A 39 -7.382 5.078 0.777 1.00 0.00 C ATOM 543 O GLU A 39 -8.431 4.439 0.688 1.00 0.00 O ATOM 544 CB GLU A 39 -6.429 4.912 3.081 1.00 0.00 C ATOM 545 CG GLU A 39 -5.201 4.686 3.943 1.00 0.00 C ATOM 546 CD GLU A 39 -5.551 4.359 5.381 1.00 0.00 C ATOM 547 OE1 GLU A 39 -6.275 5.157 6.012 1.00 0.00 O ATOM 548 OE2 GLU A 39 -5.102 3.303 5.875 1.00 0.00 O ATOM 0 H GLU A 39 -4.582 5.868 1.696 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.169 3.474 1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.728 5.958 3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.253 4.316 3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.611 3.872 3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.575 5.578 3.919 1.00 0.00 H new ATOM 555 N SER A 40 -7.187 6.241 0.163 1.00 0.00 N ATOM 556 CA SER A 40 -8.216 6.845 -0.668 1.00 0.00 C ATOM 557 C SER A 40 -8.347 6.097 -1.984 1.00 0.00 C ATOM 558 O SER A 40 -7.414 5.427 -2.427 1.00 0.00 O ATOM 559 CB SER A 40 -7.895 8.316 -0.931 1.00 0.00 C ATOM 560 OG SER A 40 -7.766 9.037 0.282 1.00 0.00 O ATOM 0 H SER A 40 -6.325 6.782 0.227 1.00 0.00 H new ATOM 0 HA SER A 40 -9.165 6.783 -0.135 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.970 8.393 -1.503 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.683 8.760 -1.539 1.00 0.00 H new ATOM 0 HG SER A 40 -6.993 8.701 0.782 1.00 0.00 H new ATOM 566 N ILE A 41 -9.512 6.215 -2.604 1.00 0.00 N ATOM 567 CA ILE A 41 -9.772 5.550 -3.869 1.00 0.00 C ATOM 568 C ILE A 41 -8.741 5.946 -4.920 1.00 0.00 C ATOM 569 O ILE A 41 -8.431 5.171 -5.824 1.00 0.00 O ATOM 570 CB ILE A 41 -11.183 5.877 -4.382 1.00 0.00 C ATOM 571 CG1 ILE A 41 -11.551 4.945 -5.531 1.00 0.00 C ATOM 572 CG2 ILE A 41 -11.275 7.334 -4.810 1.00 0.00 C ATOM 573 CD1 ILE A 41 -12.055 3.595 -5.072 1.00 0.00 C ATOM 0 H ILE A 41 -10.293 6.767 -2.249 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.699 4.477 -3.693 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.895 5.723 -3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.316 5.421 -6.144 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.677 4.801 -6.167 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.282 7.545 -5.170 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.052 7.978 -3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.557 7.525 -5.608 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.298 2.983 -5.941 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.283 3.099 -4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.948 3.728 -4.461 1.00 0.00 H new ATOM 585 N ALA A 42 -8.202 7.155 -4.785 1.00 0.00 N ATOM 586 CA ALA A 42 -7.193 7.651 -5.714 1.00 0.00 C ATOM 587 C ALA A 42 -6.074 6.630 -5.889 1.00 0.00 C ATOM 588 O ALA A 42 -5.426 6.571 -6.934 1.00 0.00 O ATOM 589 CB ALA A 42 -6.629 8.972 -5.217 1.00 0.00 C ATOM 0 H ALA A 42 -8.448 7.808 -4.041 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.665 7.811 -6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.877 9.333 -5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.433 9.704 -5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.173 8.827 -4.238 1.00 0.00 H new ATOM 595 N ALA A 43 -5.860 5.825 -4.853 1.00 0.00 N ATOM 596 CA ALA A 43 -4.830 4.799 -4.875 1.00 0.00 C ATOM 597 C ALA A 43 -5.383 3.483 -5.405 1.00 0.00 C ATOM 598 O ALA A 43 -4.645 2.656 -5.940 1.00 0.00 O ATOM 599 CB ALA A 43 -4.261 4.606 -3.480 1.00 0.00 C ATOM 0 H ALA A 43 -6.392 5.866 -3.983 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.034 5.125 -5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.490 3.836 -3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.827 5.543 -3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.057 4.300 -2.801 1.00 0.00 H new ATOM 605 N GLY A 44 -6.687 3.294 -5.246 1.00 0.00 N ATOM 606 CA GLY A 44 -7.321 2.077 -5.706 1.00 0.00 C ATOM 607 C GLY A 44 -7.754 1.191 -4.558 1.00 0.00 C ATOM 608 O GLY A 44 -7.660 -0.032 -4.637 1.00 0.00 O ATOM 0 H GLY A 44 -7.317 3.965 -4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.189 2.329 -6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.630 1.528 -6.346 1.00 0.00 H new ATOM 612 N CYS A 45 -8.233 1.815 -3.488 1.00 0.00 N ATOM 613 CA CYS A 45 -8.689 1.079 -2.313 1.00 0.00 C ATOM 614 C CYS A 45 -10.135 0.609 -2.488 1.00 0.00 C ATOM 615 O CYS A 45 -10.728 0.049 -1.566 1.00 0.00 O ATOM 616 CB CYS A 45 -8.576 1.961 -1.065 1.00 0.00 C ATOM 617 SG CYS A 45 -7.220 1.508 0.065 1.00 0.00 S ATOM 0 H CYS A 45 -8.316 2.829 -3.409 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.054 0.201 -2.194 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.439 2.996 -1.379 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.518 1.916 -0.518 1.00 0.00 H new ATOM 622 N LEU A 46 -10.700 0.847 -3.671 1.00 0.00 N ATOM 623 CA LEU A 46 -12.076 0.455 -3.957 1.00 0.00 C ATOM 624 C LEU A 46 -13.049 1.152 -3.011 1.00 0.00 C ATOM 625 O LEU A 46 -14.198 0.736 -2.872 1.00 0.00 O ATOM 626 CB LEU A 46 -12.239 -1.064 -3.844 1.00 0.00 C ATOM 627 CG LEU A 46 -11.217 -1.901 -4.622 1.00 0.00 C ATOM 628 CD1 LEU A 46 -10.863 -1.238 -5.947 1.00 0.00 C ATOM 629 CD2 LEU A 46 -9.967 -2.128 -3.783 1.00 0.00 C ATOM 0 H LEU A 46 -10.225 1.310 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.304 0.760 -4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.181 -1.340 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.238 -1.331 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.667 -2.869 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.136 -1.852 -6.479 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.763 -1.134 -6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.436 -0.253 -5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.252 -2.724 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.519 -1.167 -3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.234 -2.656 -2.868 1.00 0.00 H new ATOM 641 N TYR A 47 -12.579 2.217 -2.364 1.00 0.00 N ATOM 642 CA TYR A 47 -13.397 2.978 -1.428 1.00 0.00 C ATOM 643 C TYR A 47 -12.561 4.058 -0.750 1.00 0.00 C ATOM 644 O TYR A 47 -11.410 4.289 -1.123 1.00 0.00 O ATOM 645 CB TYR A 47 -14.009 2.052 -0.371 1.00 0.00 C ATOM 646 CG TYR A 47 -12.983 1.261 0.411 1.00 0.00 C ATOM 647 CD1 TYR A 47 -12.110 1.894 1.288 1.00 0.00 C ATOM 648 CD2 TYR A 47 -12.889 -0.118 0.273 1.00 0.00 C ATOM 649 CE1 TYR A 47 -11.174 1.176 2.004 1.00 0.00 C ATOM 650 CE2 TYR A 47 -11.954 -0.844 0.987 1.00 0.00 C ATOM 651 CZ TYR A 47 -11.100 -0.193 1.851 1.00 0.00 C ATOM 652 OH TYR A 47 -10.170 -0.913 2.564 1.00 0.00 O ATOM 0 H TYR A 47 -11.629 2.572 -2.474 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.204 3.453 -1.987 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.601 2.649 0.323 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.694 1.359 -0.860 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.165 2.966 1.411 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -13.557 -0.631 -0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.503 1.683 2.681 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.893 -1.916 0.868 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.992 -0.464 3.416 1.00 0.00 H new ATOM 662 N ASN A 48 -13.141 4.712 0.248 1.00 0.00 N ATOM 663 CA ASN A 48 -12.446 5.763 0.982 1.00 0.00 C ATOM 664 C ASN A 48 -13.310 6.272 2.132 1.00 0.00 C ATOM 665 O ASN A 48 -13.583 7.467 2.243 1.00 0.00 O ATOM 666 CB ASN A 48 -12.072 6.909 0.039 1.00 0.00 C ATOM 667 CG ASN A 48 -11.414 8.071 0.757 1.00 0.00 C ATOM 668 OD1 ASN A 48 -11.828 9.221 0.610 1.00 0.00 O ATOM 669 ND2 ASN A 48 -10.384 7.776 1.539 1.00 0.00 N ATOM 0 H ASN A 48 -14.093 4.533 0.569 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.530 5.348 1.402 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.397 6.534 -0.731 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.969 7.263 -0.469 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.901 8.517 2.048 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.075 6.808 1.631 1.00 0.00 H new ATOM 676 N SER A 49 -13.740 5.348 2.986 1.00 0.00 N ATOM 677 CA SER A 49 -14.576 5.688 4.131 1.00 0.00 C ATOM 678 C SER A 49 -14.864 4.447 4.973 1.00 0.00 C ATOM 679 O SER A 49 -14.178 3.432 4.850 1.00 0.00 O ATOM 680 CB SER A 49 -15.888 6.321 3.660 1.00 0.00 C ATOM 681 OG SER A 49 -16.423 7.181 4.651 1.00 0.00 O ATOM 0 H SER A 49 -13.522 4.355 2.906 1.00 0.00 H new ATOM 0 HA SER A 49 -14.038 6.408 4.748 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.716 6.882 2.741 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.609 5.538 3.425 1.00 0.00 H new ATOM 0 HG SER A 49 -17.260 7.574 4.326 1.00 0.00 H new ATOM 687 N THR A 50 -15.880 4.532 5.827 1.00 0.00 N ATOM 688 CA THR A 50 -16.255 3.413 6.686 1.00 0.00 C ATOM 689 C THR A 50 -15.096 3.009 7.593 1.00 0.00 C ATOM 690 O THR A 50 -14.119 3.744 7.733 1.00 0.00 O ATOM 691 CB THR A 50 -16.703 2.215 5.841 1.00 0.00 C ATOM 692 OG1 THR A 50 -15.585 1.469 5.393 1.00 0.00 O ATOM 693 CG2 THR A 50 -17.511 2.607 4.622 1.00 0.00 C ATOM 0 H THR A 50 -16.458 5.364 5.943 1.00 0.00 H new ATOM 0 HA THR A 50 -17.087 3.734 7.313 1.00 0.00 H new ATOM 0 HB THR A 50 -17.336 1.621 6.500 1.00 0.00 H new ATOM 0 HG1 THR A 50 -15.122 1.966 4.686 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.795 1.711 4.070 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.409 3.139 4.936 1.00 0.00 H new ATOM 0 HG23 THR A 50 -16.912 3.253 3.981 1.00 0.00 H new ATOM 701 N GLY A 51 -15.213 1.835 8.209 1.00 0.00 N ATOM 702 CA GLY A 51 -14.169 1.354 9.098 1.00 0.00 C ATOM 703 C GLY A 51 -12.820 1.253 8.413 1.00 0.00 C ATOM 704 O GLY A 51 -12.689 1.578 7.232 1.00 0.00 O ATOM 0 H GLY A 51 -16.012 1.209 8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.088 2.024 9.954 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.450 0.375 9.486 1.00 0.00 H new ATOM 708 N SER A 52 -11.814 0.803 9.156 1.00 0.00 N ATOM 709 CA SER A 52 -10.466 0.660 8.616 1.00 0.00 C ATOM 710 C SER A 52 -10.255 -0.733 8.033 1.00 0.00 C ATOM 711 O SER A 52 -10.710 -1.728 8.597 1.00 0.00 O ATOM 712 CB SER A 52 -9.428 0.930 9.706 1.00 0.00 C ATOM 713 OG SER A 52 -8.156 0.423 9.339 1.00 0.00 O ATOM 0 H SER A 52 -11.907 0.531 10.135 1.00 0.00 H new ATOM 0 HA SER A 52 -10.344 1.390 7.816 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.357 2.003 9.886 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.750 0.470 10.640 1.00 0.00 H new ATOM 0 HG SER A 52 -7.511 0.611 10.052 1.00 0.00 H new ATOM 719 N GLY A 53 -9.562 -0.797 6.901 1.00 0.00 N ATOM 720 CA GLY A 53 -9.302 -2.073 6.262 1.00 0.00 C ATOM 721 C GLY A 53 -10.571 -2.760 5.798 1.00 0.00 C ATOM 722 O GLY A 53 -11.554 -2.825 6.535 1.00 0.00 O ATOM 0 H GLY A 53 -9.176 0.012 6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.643 -1.920 5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.775 -2.724 6.959 1.00 0.00 H new ATOM 726 N SER A 54 -10.549 -3.274 4.572 1.00 0.00 N ATOM 727 CA SER A 54 -11.706 -3.960 4.009 1.00 0.00 C ATOM 728 C SER A 54 -12.893 -3.010 3.876 1.00 0.00 C ATOM 729 O SER A 54 -13.310 -2.381 4.849 1.00 0.00 O ATOM 730 CB SER A 54 -12.093 -5.160 4.877 1.00 0.00 C ATOM 731 OG SER A 54 -11.083 -5.453 5.827 1.00 0.00 O ATOM 0 H SER A 54 -9.742 -3.228 3.950 1.00 0.00 H new ATOM 0 HA SER A 54 -11.434 -4.315 3.015 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.031 -4.952 5.392 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.263 -6.030 4.243 1.00 0.00 H new ATOM 0 HG SER A 54 -11.357 -6.222 6.369 1.00 0.00 H new ATOM 737 N GLY A 55 -13.434 -2.913 2.667 1.00 0.00 N ATOM 738 CA GLY A 55 -14.568 -2.040 2.430 1.00 0.00 C ATOM 739 C GLY A 55 -15.459 -2.542 1.311 1.00 0.00 C ATOM 740 O GLY A 55 -16.684 -2.548 1.439 1.00 0.00 O ATOM 0 H GLY A 55 -13.107 -3.424 1.847 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.153 -1.952 3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.209 -1.041 2.184 1.00 0.00 H new ATOM 744 N SER A 56 -14.843 -2.965 0.213 1.00 0.00 N ATOM 745 CA SER A 56 -15.586 -3.473 -0.934 1.00 0.00 C ATOM 746 C SER A 56 -15.958 -4.938 -0.734 1.00 0.00 C ATOM 747 O SER A 56 -17.134 -5.300 -0.763 1.00 0.00 O ATOM 748 CB SER A 56 -14.762 -3.314 -2.213 1.00 0.00 C ATOM 749 OG SER A 56 -15.600 -3.230 -3.353 1.00 0.00 O ATOM 0 H SER A 56 -13.830 -2.966 0.093 1.00 0.00 H new ATOM 0 HA SER A 56 -16.504 -2.893 -1.027 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.146 -2.417 -2.144 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.082 -4.160 -2.319 1.00 0.00 H new ATOM 0 HG SER A 56 -15.049 -3.127 -4.157 1.00 0.00 H new ATOM 755 N GLY A 57 -14.947 -5.778 -0.532 1.00 0.00 N ATOM 756 CA GLY A 57 -15.189 -7.195 -0.330 1.00 0.00 C ATOM 757 C GLY A 57 -13.923 -8.021 -0.443 1.00 0.00 C ATOM 758 O GLY A 57 -12.842 -7.568 -0.065 1.00 0.00 O ATOM 0 H GLY A 57 -13.965 -5.503 -0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.632 -7.348 0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.914 -7.545 -1.065 1.00 0.00 H new ATOM 762 N SER A 129 -14.057 -9.238 -0.963 1.00 0.00 N ATOM 763 CA SER A 129 -12.915 -10.132 -1.125 1.00 0.00 C ATOM 764 C SER A 129 -11.842 -9.493 -1.998 1.00 0.00 C ATOM 765 O SER A 129 -10.648 -9.689 -1.773 1.00 0.00 O ATOM 766 CB SER A 129 -13.364 -11.459 -1.738 1.00 0.00 C ATOM 767 OG SER A 129 -14.525 -11.953 -1.093 1.00 0.00 O ATOM 0 H SER A 129 -14.945 -9.627 -1.279 1.00 0.00 H new ATOM 0 HA SER A 129 -12.490 -10.320 -0.139 1.00 0.00 H new ATOM 0 HB2 SER A 129 -13.565 -11.323 -2.801 1.00 0.00 H new ATOM 0 HB3 SER A 129 -12.560 -12.191 -1.657 1.00 0.00 H new ATOM 0 HG SER A 129 -14.792 -12.801 -1.505 1.00 0.00 H new ATOM 773 N THR A 130 -12.273 -8.727 -2.994 1.00 0.00 N ATOM 774 CA THR A 130 -11.345 -8.060 -3.899 1.00 0.00 C ATOM 775 C THR A 130 -10.360 -7.190 -3.126 1.00 0.00 C ATOM 776 O THR A 130 -9.223 -6.993 -3.552 1.00 0.00 O ATOM 777 CB THR A 130 -12.107 -7.207 -4.912 1.00 0.00 C ATOM 778 OG1 THR A 130 -13.171 -7.943 -5.490 1.00 0.00 O ATOM 779 CG2 THR A 130 -11.232 -6.702 -6.037 1.00 0.00 C ATOM 0 H THR A 130 -13.258 -8.553 -3.195 1.00 0.00 H new ATOM 0 HA THR A 130 -10.785 -8.829 -4.431 1.00 0.00 H new ATOM 0 HB THR A 130 -12.482 -6.352 -4.350 1.00 0.00 H new ATOM 0 HG1 THR A 130 -13.647 -7.379 -6.134 1.00 0.00 H new ATOM 0 HG21 THR A 130 -11.831 -6.103 -6.723 1.00 0.00 H new ATOM 0 HG22 THR A 130 -10.429 -6.090 -5.627 1.00 0.00 H new ATOM 0 HG23 THR A 130 -10.804 -7.549 -6.573 1.00 0.00 H new ATOM 787 N GLU A 131 -10.806 -6.673 -1.985 1.00 0.00 N ATOM 788 CA GLU A 131 -9.962 -5.826 -1.153 1.00 0.00 C ATOM 789 C GLU A 131 -8.730 -6.586 -0.681 1.00 0.00 C ATOM 790 O GLU A 131 -7.606 -6.273 -1.074 1.00 0.00 O ATOM 791 CB GLU A 131 -10.748 -5.308 0.051 1.00 0.00 C ATOM 792 CG GLU A 131 -10.287 -3.942 0.527 1.00 0.00 C ATOM 793 CD GLU A 131 -10.248 -2.922 -0.592 1.00 0.00 C ATOM 794 OE1 GLU A 131 -11.325 -2.592 -1.131 1.00 0.00 O ATOM 795 OE2 GLU A 131 -9.140 -2.458 -0.932 1.00 0.00 O ATOM 0 H GLU A 131 -11.745 -6.826 -1.617 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.637 -4.978 -1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -11.805 -5.257 -0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -10.656 -6.021 0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -10.955 -3.590 1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -9.294 -4.030 0.969 1.00 0.00 H new ATOM 802 N GLU A 132 -8.949 -7.592 0.158 1.00 0.00 N ATOM 803 CA GLU A 132 -7.853 -8.402 0.677 1.00 0.00 C ATOM 804 C GLU A 132 -7.073 -9.039 -0.468 1.00 0.00 C ATOM 805 O GLU A 132 -5.880 -9.310 -0.347 1.00 0.00 O ATOM 806 CB GLU A 132 -8.385 -9.493 1.613 1.00 0.00 C ATOM 807 CG GLU A 132 -9.511 -9.028 2.525 1.00 0.00 C ATOM 808 CD GLU A 132 -9.193 -9.227 3.994 1.00 0.00 C ATOM 809 OE1 GLU A 132 -8.867 -10.368 4.382 1.00 0.00 O ATOM 810 OE2 GLU A 132 -9.271 -8.241 4.757 1.00 0.00 O ATOM 0 H GLU A 132 -9.873 -7.866 0.493 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.186 -7.750 1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.739 -10.331 1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -7.564 -9.864 2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -9.710 -7.972 2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -10.422 -9.573 2.278 1.00 0.00 H new ATOM 817 N LEU A 133 -7.761 -9.272 -1.580 1.00 0.00 N ATOM 818 CA LEU A 133 -7.147 -9.877 -2.756 1.00 0.00 C ATOM 819 C LEU A 133 -5.937 -9.075 -3.231 1.00 0.00 C ATOM 820 O LEU A 133 -4.870 -9.634 -3.481 1.00 0.00 O ATOM 821 CB LEU A 133 -8.178 -9.981 -3.884 1.00 0.00 C ATOM 822 CG LEU A 133 -8.864 -11.345 -4.033 1.00 0.00 C ATOM 823 CD1 LEU A 133 -9.113 -11.984 -2.672 1.00 0.00 C ATOM 824 CD2 LEU A 133 -10.171 -11.194 -4.799 1.00 0.00 C ATOM 0 H LEU A 133 -8.750 -9.049 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.802 -10.874 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.946 -9.225 -3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.685 -9.738 -4.825 1.00 0.00 H new ATOM 0 HG LEU A 133 -8.200 -12.002 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -9.600 -12.950 -2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.163 -12.126 -2.157 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.754 -11.334 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -10.649 -12.169 -4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -10.834 -10.518 -4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -9.967 -10.787 -5.789 1.00 0.00 H new ATOM 836 N ARG A 134 -6.115 -7.764 -3.365 1.00 0.00 N ATOM 837 CA ARG A 134 -5.041 -6.888 -3.825 1.00 0.00 C ATOM 838 C ARG A 134 -4.099 -6.505 -2.686 1.00 0.00 C ATOM 839 O ARG A 134 -2.925 -6.214 -2.913 1.00 0.00 O ATOM 840 CB ARG A 134 -5.627 -5.626 -4.462 1.00 0.00 C ATOM 841 CG ARG A 134 -6.297 -4.686 -3.467 1.00 0.00 C ATOM 842 CD ARG A 134 -6.652 -3.343 -4.098 1.00 0.00 C ATOM 843 NE ARG A 134 -6.645 -3.391 -5.562 1.00 0.00 N ATOM 844 CZ ARG A 134 -6.206 -2.403 -6.341 1.00 0.00 C ATOM 845 NH1 ARG A 134 -5.747 -1.276 -5.811 1.00 0.00 N ATOM 846 NH2 ARG A 134 -6.229 -2.543 -7.659 1.00 0.00 N ATOM 0 H ARG A 134 -6.992 -7.285 -3.162 1.00 0.00 H new ATOM 0 HA ARG A 134 -4.463 -7.437 -4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -4.831 -5.087 -4.976 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -6.355 -5.917 -5.219 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -7.201 -5.154 -3.079 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -5.633 -4.523 -2.618 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -7.638 -3.032 -3.753 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -5.943 -2.587 -3.759 1.00 0.00 H new ATOM 0 HE ARG A 134 -6.999 -4.234 -6.014 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -5.728 -1.160 -4.798 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -5.413 -0.526 -6.417 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -6.582 -3.405 -8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -5.894 -1.789 -8.258 1.00 0.00 H new ATOM 860 N VAL A 135 -4.621 -6.493 -1.466 1.00 0.00 N ATOM 861 CA VAL A 135 -3.822 -6.130 -0.301 1.00 0.00 C ATOM 862 C VAL A 135 -3.079 -7.336 0.280 1.00 0.00 C ATOM 863 O VAL A 135 -2.204 -7.181 1.132 1.00 0.00 O ATOM 864 CB VAL A 135 -4.698 -5.488 0.795 1.00 0.00 C ATOM 865 CG1 VAL A 135 -3.850 -5.021 1.968 1.00 0.00 C ATOM 866 CG2 VAL A 135 -5.500 -4.332 0.219 1.00 0.00 C ATOM 0 H VAL A 135 -5.591 -6.730 -1.257 1.00 0.00 H new ATOM 0 HA VAL A 135 -3.084 -5.404 -0.642 1.00 0.00 H new ATOM 0 HB VAL A 135 -5.392 -6.244 1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -4.493 -4.573 2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -3.322 -5.873 2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -3.126 -4.283 1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -6.114 -3.888 1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -4.819 -3.579 -0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -6.143 -4.698 -0.581 1.00 0.00 H new ATOM 876 N ARG A 136 -3.425 -8.535 -0.182 1.00 0.00 N ATOM 877 CA ARG A 136 -2.781 -9.754 0.302 1.00 0.00 C ATOM 878 C ARG A 136 -1.525 -10.073 -0.504 1.00 0.00 C ATOM 879 O ARG A 136 -0.446 -10.261 0.057 1.00 0.00 O ATOM 880 CB ARG A 136 -3.751 -10.935 0.232 1.00 0.00 C ATOM 881 CG ARG A 136 -4.700 -11.016 1.415 1.00 0.00 C ATOM 882 CD ARG A 136 -5.858 -11.960 1.136 1.00 0.00 C ATOM 883 NE ARG A 136 -5.645 -13.279 1.725 1.00 0.00 N ATOM 884 CZ ARG A 136 -5.693 -13.523 3.033 1.00 0.00 C ATOM 885 NH1 ARG A 136 -5.943 -12.541 3.890 1.00 0.00 N ATOM 886 NH2 ARG A 136 -5.490 -14.753 3.485 1.00 0.00 N ATOM 0 H ARG A 136 -4.145 -8.689 -0.888 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.492 -9.586 1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.334 -10.861 -0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -3.179 -11.861 0.172 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -4.156 -11.356 2.296 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -5.086 -10.022 1.642 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -6.778 -11.531 1.532 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -5.991 -12.062 0.059 1.00 0.00 H new ATOM 0 HE ARG A 136 -5.448 -14.059 1.098 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -6.100 -11.593 3.548 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -5.978 -12.734 4.891 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -5.297 -15.511 2.831 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -5.527 -14.941 4.487 1.00 0.00 H new ATOM 900 N LEU A 137 -1.677 -10.142 -1.823 1.00 0.00 N ATOM 901 CA LEU A 137 -0.558 -10.448 -2.710 1.00 0.00 C ATOM 902 C LEU A 137 0.611 -9.494 -2.479 1.00 0.00 C ATOM 903 O LEU A 137 1.745 -9.926 -2.275 1.00 0.00 O ATOM 904 CB LEU A 137 -1.009 -10.378 -4.173 1.00 0.00 C ATOM 905 CG LEU A 137 0.095 -10.590 -5.217 1.00 0.00 C ATOM 906 CD1 LEU A 137 0.882 -9.307 -5.431 1.00 0.00 C ATOM 907 CD2 LEU A 137 1.023 -11.724 -4.802 1.00 0.00 C ATOM 0 H LEU A 137 -2.565 -9.990 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 137 -0.219 -11.459 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -1.784 -11.128 -4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -1.467 -9.404 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 137 -0.378 -10.866 -6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 137 1.660 -9.477 -6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 137 0.211 -8.523 -5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 137 1.340 -9.000 -4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 137 1.797 -11.855 -5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 137 1.487 -11.483 -3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 137 0.450 -12.646 -4.705 1.00 0.00 H new ATOM 919 N ALA A 138 0.329 -8.197 -2.520 1.00 0.00 N ATOM 920 CA ALA A 138 1.359 -7.184 -2.323 1.00 0.00 C ATOM 921 C ALA A 138 2.053 -7.340 -0.971 1.00 0.00 C ATOM 922 O ALA A 138 3.179 -6.876 -0.788 1.00 0.00 O ATOM 923 CB ALA A 138 0.764 -5.794 -2.461 1.00 0.00 C ATOM 0 H ALA A 138 -0.605 -7.822 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 138 2.115 -7.323 -3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 138 1.544 -5.048 -2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 138 0.337 -5.678 -3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -0.017 -5.657 -1.713 1.00 0.00 H new ATOM 929 N SER A 139 1.385 -7.999 -0.030 1.00 0.00 N ATOM 930 CA SER A 139 1.953 -8.217 1.297 1.00 0.00 C ATOM 931 C SER A 139 3.028 -9.306 1.263 1.00 0.00 C ATOM 932 O SER A 139 3.720 -9.539 2.254 1.00 0.00 O ATOM 933 CB SER A 139 0.846 -8.600 2.288 1.00 0.00 C ATOM 934 OG SER A 139 1.225 -9.704 3.094 1.00 0.00 O ATOM 0 H SER A 139 0.452 -8.391 -0.160 1.00 0.00 H new ATOM 0 HA SER A 139 2.420 -7.288 1.624 1.00 0.00 H new ATOM 0 HB2 SER A 139 0.616 -7.746 2.925 1.00 0.00 H new ATOM 0 HB3 SER A 139 -0.064 -8.844 1.741 1.00 0.00 H new ATOM 0 HG SER A 139 0.498 -9.921 3.715 1.00 0.00 H new ATOM 940 N HIS A 140 3.151 -9.978 0.122 1.00 0.00 N ATOM 941 CA HIS A 140 4.125 -11.050 -0.040 1.00 0.00 C ATOM 942 C HIS A 140 5.551 -10.582 0.249 1.00 0.00 C ATOM 943 O HIS A 140 6.376 -11.359 0.731 1.00 0.00 O ATOM 944 CB HIS A 140 4.043 -11.629 -1.455 1.00 0.00 C ATOM 945 CG HIS A 140 4.444 -10.670 -2.537 1.00 0.00 C ATOM 946 ND1 HIS A 140 4.241 -9.309 -2.482 1.00 0.00 N ATOM 947 CD2 HIS A 140 5.050 -10.907 -3.729 1.00 0.00 C ATOM 948 CE1 HIS A 140 4.718 -8.774 -3.614 1.00 0.00 C ATOM 949 NE2 HIS A 140 5.221 -9.702 -4.404 1.00 0.00 N ATOM 0 H HIS A 140 2.585 -9.797 -0.707 1.00 0.00 H new ATOM 0 HA HIS A 140 3.879 -11.824 0.687 1.00 0.00 H new ATOM 0 HB2 HIS A 140 4.681 -12.511 -1.512 1.00 0.00 H new ATOM 0 HB3 HIS A 140 3.022 -11.962 -1.640 1.00 0.00 H new ATOM 0 HD2 HIS A 140 5.352 -11.877 -4.095 1.00 0.00 H new ATOM 0 HE1 HIS A 140 4.694 -7.720 -3.849 1.00 0.00 H new ATOM 0 HE2 HIS A 140 5.647 -9.565 -5.320 1.00 0.00 H new ATOM 957 N LEU A 141 5.849 -9.322 -0.058 1.00 0.00 N ATOM 958 CA LEU A 141 7.189 -8.790 0.166 1.00 0.00 C ATOM 959 C LEU A 141 7.155 -7.366 0.718 1.00 0.00 C ATOM 960 O LEU A 141 7.706 -7.095 1.782 1.00 0.00 O ATOM 961 CB LEU A 141 7.987 -8.817 -1.138 1.00 0.00 C ATOM 962 CG LEU A 141 9.368 -8.160 -1.064 1.00 0.00 C ATOM 963 CD1 LEU A 141 10.462 -9.215 -1.064 1.00 0.00 C ATOM 964 CD2 LEU A 141 9.560 -7.182 -2.214 1.00 0.00 C ATOM 0 H LEU A 141 5.188 -8.657 -0.459 1.00 0.00 H new ATOM 0 HA LEU A 141 7.672 -9.424 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.111 -9.854 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.405 -8.319 -1.913 1.00 0.00 H new ATOM 0 HG LEU A 141 9.433 -7.602 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 141 11.436 -8.729 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 141 10.336 -9.870 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 141 10.400 -9.804 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 141 10.548 -6.726 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 141 9.473 -7.713 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 141 8.797 -6.405 -2.162 1.00 0.00 H new ATOM 976 N ARG A 142 6.530 -6.460 -0.032 1.00 0.00 N ATOM 977 CA ARG A 142 6.438 -5.046 0.349 1.00 0.00 C ATOM 978 C ARG A 142 6.403 -4.842 1.864 1.00 0.00 C ATOM 979 O ARG A 142 7.369 -4.359 2.454 1.00 0.00 O ATOM 980 CB ARG A 142 5.201 -4.407 -0.287 1.00 0.00 C ATOM 981 CG ARG A 142 5.169 -4.508 -1.804 1.00 0.00 C ATOM 982 CD ARG A 142 6.414 -3.903 -2.435 1.00 0.00 C ATOM 983 NE ARG A 142 6.303 -2.455 -2.583 1.00 0.00 N ATOM 984 CZ ARG A 142 5.494 -1.862 -3.458 1.00 0.00 C ATOM 985 NH1 ARG A 142 4.710 -2.589 -4.244 1.00 0.00 N ATOM 986 NH2 ARG A 142 5.465 -0.539 -3.544 1.00 0.00 N ATOM 0 H ARG A 142 6.074 -6.681 -0.917 1.00 0.00 H new ATOM 0 HA ARG A 142 7.341 -4.561 -0.022 1.00 0.00 H new ATOM 0 HB2 ARG A 142 4.308 -4.884 0.118 1.00 0.00 H new ATOM 0 HB3 ARG A 142 5.159 -3.356 -0.001 1.00 0.00 H new ATOM 0 HG2 ARG A 142 5.084 -5.554 -2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 142 4.284 -3.998 -2.184 1.00 0.00 H new ATOM 0 HD2 ARG A 142 7.283 -4.139 -1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 142 6.582 -4.356 -3.412 1.00 0.00 H new ATOM 0 HE ARG A 142 6.878 -1.864 -1.982 1.00 0.00 H new ATOM 0 HH11 ARG A 142 4.726 -3.607 -4.179 1.00 0.00 H new ATOM 0 HH12 ARG A 142 4.092 -2.130 -4.913 1.00 0.00 H new ATOM 0 HH21 ARG A 142 6.063 0.025 -2.940 1.00 0.00 H new ATOM 0 HH22 ARG A 142 4.845 -0.085 -4.215 1.00 0.00 H new ATOM 1000 N LYS A 143 5.285 -5.197 2.485 1.00 0.00 N ATOM 1001 CA LYS A 143 5.132 -5.032 3.926 1.00 0.00 C ATOM 1002 C LYS A 143 5.892 -6.102 4.708 1.00 0.00 C ATOM 1003 O LYS A 143 6.093 -5.969 5.916 1.00 0.00 O ATOM 1004 CB LYS A 143 3.652 -5.061 4.303 1.00 0.00 C ATOM 1005 CG LYS A 143 3.360 -4.410 5.642 1.00 0.00 C ATOM 1006 CD LYS A 143 3.381 -2.894 5.544 1.00 0.00 C ATOM 1007 CE LYS A 143 1.983 -2.329 5.348 1.00 0.00 C ATOM 1008 NZ LYS A 143 1.877 -0.928 5.840 1.00 0.00 N ATOM 0 H LYS A 143 4.474 -5.600 2.016 1.00 0.00 H new ATOM 0 HA LYS A 143 5.558 -4.065 4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 143 3.077 -4.555 3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 143 3.311 -6.096 4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 143 2.385 -4.738 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 143 4.097 -4.738 6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 143 3.820 -2.476 6.450 1.00 0.00 H new ATOM 0 HD3 LYS A 143 4.017 -2.591 4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 143 1.723 -2.363 4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 143 1.262 -2.954 5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 0.991 -0.505 5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 1.882 -0.924 6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 2.684 -0.375 5.488 1.00 0.00 H new ATOM 1022 N LEU A 144 6.312 -7.164 4.026 1.00 0.00 N ATOM 1023 CA LEU A 144 7.044 -8.245 4.680 1.00 0.00 C ATOM 1024 C LEU A 144 8.532 -8.206 4.332 1.00 0.00 C ATOM 1025 O LEU A 144 9.228 -9.214 4.451 1.00 0.00 O ATOM 1026 CB LEU A 144 6.452 -9.599 4.285 1.00 0.00 C ATOM 1027 CG LEU A 144 5.343 -10.111 5.206 1.00 0.00 C ATOM 1028 CD1 LEU A 144 4.574 -11.243 4.541 1.00 0.00 C ATOM 1029 CD2 LEU A 144 5.925 -10.569 6.535 1.00 0.00 C ATOM 0 H LEU A 144 6.159 -7.299 3.027 1.00 0.00 H new ATOM 0 HA LEU A 144 6.946 -8.107 5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 144 6.057 -9.525 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 144 7.254 -10.337 4.261 1.00 0.00 H new ATOM 0 HG LEU A 144 4.649 -9.292 5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 144 3.790 -11.593 5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 144 4.125 -10.883 3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.255 -12.064 4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 144 5.123 -10.930 7.178 1.00 0.00 H new ATOM 0 HD22 LEU A 144 6.640 -11.373 6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 144 6.429 -9.733 7.019 1.00 0.00 H new ATOM 1041 N ARG A 145 9.015 -7.040 3.905 1.00 0.00 N ATOM 1042 CA ARG A 145 10.421 -6.877 3.542 1.00 0.00 C ATOM 1043 C ARG A 145 10.688 -5.470 3.015 1.00 0.00 C ATOM 1044 O ARG A 145 9.868 -4.900 2.296 1.00 0.00 O ATOM 1045 CB ARG A 145 10.826 -7.908 2.482 1.00 0.00 C ATOM 1046 CG ARG A 145 12.275 -7.790 2.035 1.00 0.00 C ATOM 1047 CD ARG A 145 13.238 -8.067 3.178 1.00 0.00 C ATOM 1048 NE ARG A 145 12.870 -9.266 3.928 1.00 0.00 N ATOM 1049 CZ ARG A 145 13.297 -9.528 5.162 1.00 0.00 C ATOM 1050 NH1 ARG A 145 14.107 -8.681 5.785 1.00 0.00 N ATOM 1051 NH2 ARG A 145 12.913 -10.639 5.774 1.00 0.00 N ATOM 0 H ARG A 145 8.453 -6.195 3.802 1.00 0.00 H new ATOM 0 HA ARG A 145 11.017 -7.034 4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 145 10.658 -8.909 2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 145 10.177 -7.797 1.613 1.00 0.00 H new ATOM 0 HG2 ARG A 145 12.464 -8.491 1.222 1.00 0.00 H new ATOM 0 HG3 ARG A 145 12.455 -6.789 1.642 1.00 0.00 H new ATOM 0 HD2 ARG A 145 14.247 -8.183 2.782 1.00 0.00 H new ATOM 0 HD3 ARG A 145 13.257 -7.210 3.851 1.00 0.00 H new ATOM 0 HE ARG A 145 12.250 -9.941 3.481 1.00 0.00 H new ATOM 0 HH11 ARG A 145 14.406 -7.824 5.319 1.00 0.00 H new ATOM 0 HH12 ARG A 145 14.431 -8.887 6.730 1.00 0.00 H new ATOM 0 HH21 ARG A 145 12.291 -11.293 5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 145 13.240 -10.840 6.719 1.00 0.00 H new ATOM 1065 N LYS A 146 11.843 -4.919 3.374 1.00 0.00 N ATOM 1066 CA LYS A 146 12.222 -3.582 2.933 1.00 0.00 C ATOM 1067 C LYS A 146 13.321 -3.652 1.876 1.00 0.00 C ATOM 1068 O LYS A 146 14.501 -3.481 2.180 1.00 0.00 O ATOM 1069 CB LYS A 146 12.675 -2.737 4.130 1.00 0.00 C ATOM 1070 CG LYS A 146 13.431 -1.469 3.752 1.00 0.00 C ATOM 1071 CD LYS A 146 12.701 -0.660 2.690 1.00 0.00 C ATOM 1072 CE LYS A 146 13.630 -0.270 1.553 1.00 0.00 C ATOM 1073 NZ LYS A 146 13.547 1.184 1.242 1.00 0.00 N ATOM 0 H LYS A 146 12.533 -5.378 3.969 1.00 0.00 H new ATOM 0 HA LYS A 146 11.351 -3.107 2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 146 11.799 -2.462 4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 146 13.311 -3.348 4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 146 13.573 -0.854 4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 146 14.423 -1.735 3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 146 11.867 -1.242 2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 146 12.279 0.238 3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 146 14.656 -0.527 1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 146 13.377 -0.847 0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 13.392 1.312 0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 12.756 1.607 1.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 14.435 1.649 1.519 1.00 0.00 H new ATOM 1087 N ARG A 147 12.918 -3.902 0.632 1.00 0.00 N ATOM 1088 CA ARG A 147 13.854 -3.992 -0.488 1.00 0.00 C ATOM 1089 C ARG A 147 15.093 -4.820 -0.128 1.00 0.00 C ATOM 1090 O ARG A 147 15.115 -6.034 -0.335 1.00 0.00 O ATOM 1091 CB ARG A 147 14.257 -2.587 -0.945 1.00 0.00 C ATOM 1092 CG ARG A 147 15.233 -2.580 -2.110 1.00 0.00 C ATOM 1093 CD ARG A 147 14.857 -1.531 -3.144 1.00 0.00 C ATOM 1094 NE ARG A 147 14.407 -2.134 -4.397 1.00 0.00 N ATOM 1095 CZ ARG A 147 14.370 -1.487 -5.561 1.00 0.00 C ATOM 1096 NH1 ARG A 147 14.755 -0.219 -5.636 1.00 0.00 N ATOM 1097 NH2 ARG A 147 13.947 -2.110 -6.652 1.00 0.00 N ATOM 0 H ARG A 147 11.942 -4.047 0.373 1.00 0.00 H new ATOM 0 HA ARG A 147 13.351 -4.504 -1.308 1.00 0.00 H new ATOM 0 HB2 ARG A 147 13.361 -2.036 -1.230 1.00 0.00 H new ATOM 0 HB3 ARG A 147 14.704 -2.055 -0.105 1.00 0.00 H new ATOM 0 HG2 ARG A 147 16.240 -2.385 -1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 147 15.250 -3.564 -2.578 1.00 0.00 H new ATOM 0 HD2 ARG A 147 14.068 -0.894 -2.744 1.00 0.00 H new ATOM 0 HD3 ARG A 147 15.716 -0.889 -3.339 1.00 0.00 H new ATOM 0 HE ARG A 147 14.103 -3.108 -4.379 1.00 0.00 H new ATOM 0 HH11 ARG A 147 15.081 0.265 -4.800 1.00 0.00 H new ATOM 0 HH12 ARG A 147 14.724 0.271 -6.530 1.00 0.00 H new ATOM 0 HH21 ARG A 147 13.650 -3.084 -6.600 1.00 0.00 H new ATOM 0 HH22 ARG A 147 13.919 -1.615 -7.543 1.00 0.00 H new ATOM 1111 N LEU A 148 16.119 -4.163 0.410 1.00 0.00 N ATOM 1112 CA LEU A 148 17.349 -4.846 0.793 1.00 0.00 C ATOM 1113 C LEU A 148 17.472 -4.926 2.311 1.00 0.00 C ATOM 1114 O LEU A 148 17.782 -5.981 2.866 1.00 0.00 O ATOM 1115 CB LEU A 148 18.561 -4.118 0.211 1.00 0.00 C ATOM 1116 CG LEU A 148 19.826 -4.969 0.077 1.00 0.00 C ATOM 1117 CD1 LEU A 148 19.607 -6.096 -0.920 1.00 0.00 C ATOM 1118 CD2 LEU A 148 21.007 -4.105 -0.342 1.00 0.00 C ATOM 0 H LEU A 148 16.121 -3.159 0.590 1.00 0.00 H new ATOM 0 HA LEU A 148 17.315 -5.859 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 148 18.295 -3.732 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 148 18.786 -3.257 0.841 1.00 0.00 H new ATOM 0 HG LEU A 148 20.050 -5.410 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 148 20.517 -6.691 -1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 148 18.789 -6.730 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 148 19.358 -5.676 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 148 21.898 -4.726 -0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 148 20.792 -3.636 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 148 21.177 -3.333 0.408 1.00 0.00 H new ATOM 1130 N LEU A 149 17.229 -3.801 2.977 1.00 0.00 N ATOM 1131 CA LEU A 149 17.311 -3.735 4.433 1.00 0.00 C ATOM 1132 C LEU A 149 16.470 -4.830 5.082 1.00 0.00 C ATOM 1133 O LEU A 149 15.567 -5.362 4.403 1.00 0.00 O ATOM 1134 CB LEU A 149 16.845 -2.363 4.924 1.00 0.00 C ATOM 1135 CG LEU A 149 17.584 -1.170 4.315 1.00 0.00 C ATOM 1136 CD1 LEU A 149 16.706 0.071 4.342 1.00 0.00 C ATOM 1137 CD2 LEU A 149 18.888 -0.920 5.057 1.00 0.00 C ATOM 1138 OXT LEU A 149 16.722 -5.146 6.264 1.00 0.00 O ATOM 0 H LEU A 149 16.973 -2.920 2.530 1.00 0.00 H new ATOM 0 HA LEU A 149 18.352 -3.888 4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 149 15.781 -2.260 4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 149 16.957 -2.325 6.008 1.00 0.00 H new ATOM 0 HG LEU A 149 17.818 -1.401 3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 149 17.248 0.910 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 149 15.798 -0.113 3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 149 16.442 0.307 5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 149 19.402 -0.068 4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 149 18.676 -0.709 6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 149 19.522 -1.804 4.986 1.00 0.00 H new TER 1150 LEU A 149 HETATM 1151 CA CA A 81 -3.059 2.096 4.462 1.00 0.33 CA