USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 486 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.211 K(o=-0.21,f=-2.6!) USER MOD Single : A 20 GLN :FLIP amide:sc= -0.516 F(o=-1.5,f=-0.52) USER MOD Single : A 22 MET CE :methyl 175:sc= -4.52 (180deg=-4.83) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -133:sc= -0.181 (180deg=-3.77!) USER MOD Single : A 31 ASN : amide:sc= -0.721 K(o=-0.72,f=-4.1!) USER MOD Single : A 32 MET CE :methyl 175:sc= -0.685 (180deg=-0.744) USER MOD Single : A 34 TYR OH : rot -78:sc= 0.528 USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -1.35 K(o=-1.4,f=-3.9!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 94:sc= -1.26! USER MOD Single : A 54 GLN : amide:sc= -1.14 K(o=-1.1,f=-7.3!) USER MOD Single : A 57 GLN : amide:sc= -0.077 K(o=-0.077,f=-1.8!) USER MOD Single : A 58 MET CE :methyl 151:sc= -0.0957 (180deg=-1.55!) USER MOD Single : A 59 ASN : amide:sc= -0.711 K(o=-0.71,f=-3.9!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -150:sc= -0.267 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.415 -1.975 19.225 1.00 0.00 N ATOM 2 CA GLY A 1 -1.087 -1.982 19.816 1.00 0.00 C ATOM 3 C GLY A 1 -1.094 -2.692 21.171 1.00 0.00 C ATOM 4 O GLY A 1 -0.501 -3.759 21.320 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.384 -1.488 18.307 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.739 -2.954 19.087 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.074 -1.479 19.858 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.389 -2.480 19.144 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.735 -0.958 19.940 1.00 0.00 H new ATOM 8 N SER A 2 -1.771 -2.070 22.126 1.00 0.00 N ATOM 9 CA SER A 2 -1.862 -2.630 23.464 1.00 0.00 C ATOM 10 C SER A 2 -3.032 -1.994 24.218 1.00 0.00 C ATOM 11 O SER A 2 -2.861 -0.982 24.896 1.00 0.00 O ATOM 12 CB SER A 2 -0.558 -2.425 24.237 1.00 0.00 C ATOM 13 OG SER A 2 0.009 -3.660 24.665 1.00 0.00 O ATOM 0 H SER A 2 -2.261 -1.184 22.000 1.00 0.00 H new ATOM 0 HA SER A 2 -2.035 -3.703 23.375 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.158 -1.897 23.607 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.747 -1.793 25.105 1.00 0.00 H new ATOM 0 HG SER A 2 0.841 -3.486 25.153 1.00 0.00 H new ATOM 19 N SER A 3 -4.194 -2.613 24.074 1.00 0.00 N ATOM 20 CA SER A 3 -5.391 -2.120 24.733 1.00 0.00 C ATOM 21 C SER A 3 -5.587 -0.636 24.421 1.00 0.00 C ATOM 22 O SER A 3 -5.065 0.225 25.127 1.00 0.00 O ATOM 23 CB SER A 3 -5.317 -2.339 26.245 1.00 0.00 C ATOM 24 OG SER A 3 -6.608 -2.517 26.823 1.00 0.00 O ATOM 0 H SER A 3 -4.332 -3.452 23.510 1.00 0.00 H new ATOM 0 HA SER A 3 -6.245 -2.680 24.353 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.702 -3.214 26.455 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.826 -1.485 26.711 1.00 0.00 H new ATOM 0 HG SER A 3 -6.518 -2.656 27.789 1.00 0.00 H new ATOM 30 N GLY A 4 -6.341 -0.381 23.361 1.00 0.00 N ATOM 31 CA GLY A 4 -6.613 0.985 22.947 1.00 0.00 C ATOM 32 C GLY A 4 -5.971 1.284 21.591 1.00 0.00 C ATOM 33 O GLY A 4 -5.917 0.416 20.720 1.00 0.00 O ATOM 0 H GLY A 4 -6.772 -1.098 22.777 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.690 1.143 22.887 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.231 1.679 23.696 1.00 0.00 H new ATOM 37 N SER A 5 -5.500 2.515 21.453 1.00 0.00 N ATOM 38 CA SER A 5 -4.864 2.939 20.218 1.00 0.00 C ATOM 39 C SER A 5 -5.872 2.892 19.067 1.00 0.00 C ATOM 40 O SER A 5 -5.924 1.915 18.322 1.00 0.00 O ATOM 41 CB SER A 5 -3.650 2.066 19.895 1.00 0.00 C ATOM 42 OG SER A 5 -2.858 2.618 18.847 1.00 0.00 O ATOM 0 H SER A 5 -5.546 3.232 22.177 1.00 0.00 H new ATOM 0 HA SER A 5 -4.517 3.964 20.347 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.038 1.951 20.790 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.986 1.069 19.609 1.00 0.00 H new ATOM 0 HG SER A 5 -2.092 2.032 18.672 1.00 0.00 H new ATOM 48 N SER A 6 -6.647 3.961 18.959 1.00 0.00 N ATOM 49 CA SER A 6 -7.651 4.054 17.912 1.00 0.00 C ATOM 50 C SER A 6 -7.379 5.278 17.034 1.00 0.00 C ATOM 51 O SER A 6 -7.179 5.148 15.828 1.00 0.00 O ATOM 52 CB SER A 6 -9.060 4.128 18.504 1.00 0.00 C ATOM 53 OG SER A 6 -9.488 2.871 19.021 1.00 0.00 O ATOM 0 H SER A 6 -6.600 4.770 19.579 1.00 0.00 H new ATOM 0 HA SER A 6 -7.591 3.154 17.300 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.081 4.873 19.299 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.759 4.461 17.737 1.00 0.00 H new ATOM 0 HG SER A 6 -10.391 2.960 19.391 1.00 0.00 H new ATOM 59 N GLY A 7 -7.381 6.438 17.675 1.00 0.00 N ATOM 60 CA GLY A 7 -7.138 7.683 16.967 1.00 0.00 C ATOM 61 C GLY A 7 -7.500 8.888 17.838 1.00 0.00 C ATOM 62 O GLY A 7 -7.288 8.870 19.049 1.00 0.00 O ATOM 0 H GLY A 7 -7.547 6.541 18.676 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.089 7.742 16.676 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.725 7.704 16.049 1.00 0.00 H new ATOM 66 N ARG A 8 -8.041 9.907 17.186 1.00 0.00 N ATOM 67 CA ARG A 8 -8.435 11.118 17.885 1.00 0.00 C ATOM 68 C ARG A 8 -9.831 11.559 17.439 1.00 0.00 C ATOM 69 O ARG A 8 -10.303 11.155 16.377 1.00 0.00 O ATOM 70 CB ARG A 8 -7.442 12.252 17.625 1.00 0.00 C ATOM 71 CG ARG A 8 -6.229 12.142 18.551 1.00 0.00 C ATOM 72 CD ARG A 8 -4.931 12.421 17.789 1.00 0.00 C ATOM 73 NE ARG A 8 -3.774 12.313 18.705 1.00 0.00 N ATOM 74 CZ ARG A 8 -2.495 12.386 18.312 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.202 12.567 17.017 1.00 0.00 N ATOM 76 NH2 ARG A 8 -1.510 12.277 19.213 1.00 0.00 N ATOM 0 H ARG A 8 -8.216 9.919 16.181 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.444 10.896 18.952 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.114 12.222 16.586 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.934 13.213 17.777 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.330 12.849 19.375 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.191 11.145 18.989 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.822 11.713 16.967 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.965 13.417 17.349 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.962 12.174 19.698 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.952 12.649 16.331 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.229 12.623 16.717 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.733 12.138 20.199 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.537 12.333 18.914 1.00 0.00 H new ATOM 90 N PRO A 9 -10.468 12.403 18.294 1.00 0.00 N ATOM 91 CA PRO A 9 -11.800 12.903 17.998 1.00 0.00 C ATOM 92 C PRO A 9 -11.753 13.981 16.914 1.00 0.00 C ATOM 93 O PRO A 9 -10.700 14.564 16.659 1.00 0.00 O ATOM 94 CB PRO A 9 -12.330 13.418 19.326 1.00 0.00 C ATOM 95 CG PRO A 9 -11.112 13.615 20.213 1.00 0.00 C ATOM 96 CD PRO A 9 -9.939 12.902 19.560 1.00 0.00 C ATOM 0 HA PRO A 9 -12.458 12.134 17.593 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.872 14.354 19.193 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.026 12.707 19.771 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.895 14.676 20.333 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.296 13.213 21.209 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.102 13.582 19.399 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.573 12.087 20.185 1.00 0.00 H new ATOM 104 N ALA A 10 -12.906 14.213 16.305 1.00 0.00 N ATOM 105 CA ALA A 10 -13.010 15.211 15.253 1.00 0.00 C ATOM 106 C ALA A 10 -14.486 15.457 14.933 1.00 0.00 C ATOM 107 O ALA A 10 -15.348 14.671 15.323 1.00 0.00 O ATOM 108 CB ALA A 10 -12.217 14.748 14.030 1.00 0.00 C ATOM 0 H ALA A 10 -13.777 13.727 16.520 1.00 0.00 H new ATOM 0 HA ALA A 10 -12.582 16.159 15.579 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.295 15.496 13.241 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.170 14.617 14.304 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.620 13.800 13.672 1.00 0.00 H new ATOM 114 N ARG A 11 -14.731 16.550 14.226 1.00 0.00 N ATOM 115 CA ARG A 11 -16.087 16.909 13.849 1.00 0.00 C ATOM 116 C ARG A 11 -16.247 16.855 12.328 1.00 0.00 C ATOM 117 O ARG A 11 -17.101 16.133 11.816 1.00 0.00 O ATOM 118 CB ARG A 11 -16.443 18.313 14.342 1.00 0.00 C ATOM 119 CG ARG A 11 -17.909 18.640 14.055 1.00 0.00 C ATOM 120 CD ARG A 11 -18.528 19.441 15.203 1.00 0.00 C ATOM 121 NE ARG A 11 -19.010 18.522 16.258 1.00 0.00 N ATOM 122 CZ ARG A 11 -19.561 18.926 17.411 1.00 0.00 C ATOM 123 NH1 ARG A 11 -19.703 20.234 17.664 1.00 0.00 N ATOM 124 NH2 ARG A 11 -19.971 18.022 18.311 1.00 0.00 N ATOM 0 H ARG A 11 -14.013 17.199 13.904 1.00 0.00 H new ATOM 0 HA ARG A 11 -16.761 16.191 14.315 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -16.254 18.385 15.413 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -15.801 19.047 13.855 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -17.984 19.209 13.128 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -18.469 17.717 13.908 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -17.790 20.128 15.617 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -19.355 20.046 14.831 1.00 0.00 H new ATOM 0 HE ARG A 11 -18.917 17.519 16.098 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.392 20.923 16.979 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.122 20.541 18.542 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -19.864 17.026 18.119 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -20.390 18.330 19.188 1.00 0.00 H new ATOM 138 N GLN A 12 -15.412 17.627 11.649 1.00 0.00 N ATOM 139 CA GLN A 12 -15.450 17.676 10.198 1.00 0.00 C ATOM 140 C GLN A 12 -14.069 18.026 9.642 1.00 0.00 C ATOM 141 O GLN A 12 -13.755 19.198 9.440 1.00 0.00 O ATOM 142 CB GLN A 12 -16.505 18.671 9.710 1.00 0.00 C ATOM 143 CG GLN A 12 -16.828 18.447 8.231 1.00 0.00 C ATOM 144 CD GLN A 12 -18.340 18.373 8.005 1.00 0.00 C ATOM 145 OE1 GLN A 12 -18.925 17.308 7.895 1.00 0.00 O ATOM 146 NE2 GLN A 12 -18.936 19.560 7.942 1.00 0.00 N ATOM 0 H GLN A 12 -14.705 18.224 12.077 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.730 16.689 9.829 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -17.413 18.565 10.304 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.145 19.689 9.857 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.407 19.258 7.636 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.360 17.524 7.889 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.386 20.413 8.042 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -19.943 19.618 7.793 1.00 0.00 H new ATOM 155 N VAL A 13 -13.279 16.987 9.409 1.00 0.00 N ATOM 156 CA VAL A 13 -11.938 17.170 8.881 1.00 0.00 C ATOM 157 C VAL A 13 -11.575 15.974 7.999 1.00 0.00 C ATOM 158 O VAL A 13 -11.075 16.145 6.888 1.00 0.00 O ATOM 159 CB VAL A 13 -10.949 17.391 10.027 1.00 0.00 C ATOM 160 CG1 VAL A 13 -10.791 18.881 10.336 1.00 0.00 C ATOM 161 CG2 VAL A 13 -11.374 16.614 11.275 1.00 0.00 C ATOM 0 H VAL A 13 -13.543 16.016 9.576 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.892 18.061 8.255 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.978 17.011 9.710 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.083 19.010 11.154 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.421 19.399 9.451 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.757 19.297 10.623 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.654 16.788 12.075 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.360 16.950 11.595 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.411 15.549 11.046 1.00 0.00 H new ATOM 171 N ARG A 14 -11.839 14.788 8.528 1.00 0.00 N ATOM 172 CA ARG A 14 -11.546 13.563 7.803 1.00 0.00 C ATOM 173 C ARG A 14 -10.042 13.444 7.549 1.00 0.00 C ATOM 174 O ARG A 14 -9.423 14.367 7.023 1.00 0.00 O ATOM 175 CB ARG A 14 -12.288 13.524 6.465 1.00 0.00 C ATOM 176 CG ARG A 14 -13.746 13.105 6.659 1.00 0.00 C ATOM 177 CD ARG A 14 -14.588 13.470 5.434 1.00 0.00 C ATOM 178 NE ARG A 14 -15.893 14.020 5.864 1.00 0.00 N ATOM 179 CZ ARG A 14 -16.966 14.118 5.067 1.00 0.00 C ATOM 180 NH1 ARG A 14 -16.896 13.704 3.795 1.00 0.00 N ATOM 181 NH2 ARG A 14 -18.109 14.631 5.542 1.00 0.00 N ATOM 0 H ARG A 14 -12.253 14.649 9.450 1.00 0.00 H new ATOM 0 HA ARG A 14 -11.882 12.726 8.416 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.248 14.506 5.994 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -11.792 12.826 5.790 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -13.799 12.031 6.835 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.154 13.593 7.544 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -14.059 14.202 4.823 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -14.742 12.588 4.812 1.00 0.00 H new ATOM 0 HE ARG A 14 -15.981 14.345 6.827 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -16.026 13.314 3.433 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -17.713 13.779 3.189 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -18.163 14.947 6.510 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -18.926 14.706 4.935 1.00 0.00 H new ATOM 195 N ARG A 15 -9.498 12.299 7.934 1.00 0.00 N ATOM 196 CA ARG A 15 -8.079 12.047 7.754 1.00 0.00 C ATOM 197 C ARG A 15 -7.798 11.587 6.322 1.00 0.00 C ATOM 198 O ARG A 15 -6.999 12.199 5.615 1.00 0.00 O ATOM 199 CB ARG A 15 -7.580 10.980 8.731 1.00 0.00 C ATOM 200 CG ARG A 15 -7.101 11.615 10.038 1.00 0.00 C ATOM 201 CD ARG A 15 -5.728 11.073 10.440 1.00 0.00 C ATOM 202 NE ARG A 15 -4.661 11.901 9.835 1.00 0.00 N ATOM 203 CZ ARG A 15 -3.402 11.954 10.291 1.00 0.00 C ATOM 204 NH1 ARG A 15 -3.045 11.228 11.360 1.00 0.00 N ATOM 205 NH2 ARG A 15 -2.500 12.733 9.679 1.00 0.00 N ATOM 0 H ARG A 15 -10.015 11.535 8.370 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.550 12.980 7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.380 10.270 8.939 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.765 10.417 8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.049 12.698 9.923 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.822 11.413 10.830 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.630 11.075 11.526 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.626 10.038 10.113 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.899 12.467 9.020 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.732 10.635 11.826 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.087 11.268 11.707 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.772 13.286 8.866 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.542 12.773 10.026 1.00 0.00 H new ATOM 219 N LEU A 16 -8.472 10.513 5.936 1.00 0.00 N ATOM 220 CA LEU A 16 -8.305 9.964 4.601 1.00 0.00 C ATOM 221 C LEU A 16 -6.945 9.270 4.506 1.00 0.00 C ATOM 222 O LEU A 16 -6.085 9.462 5.364 1.00 0.00 O ATOM 223 CB LEU A 16 -8.516 11.051 3.545 1.00 0.00 C ATOM 224 CG LEU A 16 -9.774 10.915 2.684 1.00 0.00 C ATOM 225 CD1 LEU A 16 -9.663 9.718 1.738 1.00 0.00 C ATOM 226 CD2 LEU A 16 -11.029 10.842 3.555 1.00 0.00 C ATOM 0 H LEU A 16 -9.135 10.008 6.525 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.064 9.207 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.547 12.017 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.648 11.063 2.886 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.863 11.808 2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.570 9.644 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.803 9.851 1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.537 8.805 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.909 10.746 2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.963 9.978 4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.111 11.750 4.152 1.00 0.00 H new ATOM 238 N GLU A 17 -6.793 8.478 3.454 1.00 0.00 N ATOM 239 CA GLU A 17 -5.552 7.755 3.236 1.00 0.00 C ATOM 240 C GLU A 17 -5.237 6.866 4.441 1.00 0.00 C ATOM 241 O GLU A 17 -5.840 7.016 5.502 1.00 0.00 O ATOM 242 CB GLU A 17 -4.399 8.718 2.948 1.00 0.00 C ATOM 243 CG GLU A 17 -3.751 8.410 1.597 1.00 0.00 C ATOM 244 CD GLU A 17 -2.543 7.486 1.766 1.00 0.00 C ATOM 245 OE1 GLU A 17 -1.479 8.009 2.160 1.00 0.00 O ATOM 246 OE2 GLU A 17 -2.712 6.277 1.496 1.00 0.00 O ATOM 0 H GLU A 17 -7.509 8.322 2.744 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.675 7.117 2.361 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.768 9.744 2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.652 8.644 3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.482 7.942 0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.439 9.339 1.119 1.00 0.00 H new ATOM 253 N PHE A 18 -4.292 5.960 4.236 1.00 0.00 N ATOM 254 CA PHE A 18 -3.889 5.047 5.292 1.00 0.00 C ATOM 255 C PHE A 18 -5.090 4.267 5.830 1.00 0.00 C ATOM 256 O PHE A 18 -5.369 3.158 5.376 1.00 0.00 O ATOM 257 CB PHE A 18 -3.302 5.899 6.420 1.00 0.00 C ATOM 258 CG PHE A 18 -3.278 5.199 7.780 1.00 0.00 C ATOM 259 CD1 PHE A 18 -2.862 3.907 7.873 1.00 0.00 C ATOM 260 CD2 PHE A 18 -3.672 5.868 8.896 1.00 0.00 C ATOM 261 CE1 PHE A 18 -2.840 3.258 9.136 1.00 0.00 C ATOM 262 CE2 PHE A 18 -3.650 5.219 10.159 1.00 0.00 C ATOM 263 CZ PHE A 18 -3.235 3.927 10.252 1.00 0.00 C ATOM 0 H PHE A 18 -3.794 5.839 3.354 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.166 4.328 4.907 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.285 6.187 6.153 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.881 6.818 6.506 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.549 3.375 6.987 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.002 6.894 8.822 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.509 2.233 9.210 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.963 5.751 11.045 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.219 3.433 11.212 1.00 0.00 H new ATOM 273 N ASN A 19 -5.769 4.877 6.791 1.00 0.00 N ATOM 274 CA ASN A 19 -6.934 4.254 7.396 1.00 0.00 C ATOM 275 C ASN A 19 -7.763 3.569 6.308 1.00 0.00 C ATOM 276 O ASN A 19 -8.128 2.402 6.442 1.00 0.00 O ATOM 277 CB ASN A 19 -7.821 5.294 8.082 1.00 0.00 C ATOM 278 CG ASN A 19 -7.534 5.354 9.584 1.00 0.00 C ATOM 279 OD1 ASN A 19 -6.976 4.442 10.172 1.00 0.00 O ATOM 280 ND2 ASN A 19 -7.946 6.474 10.169 1.00 0.00 N ATOM 0 H ASN A 19 -5.534 5.796 7.165 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.585 3.534 8.136 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.650 6.274 7.636 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.870 5.048 7.918 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.802 6.610 11.170 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.407 7.198 9.617 1.00 0.00 H new ATOM 287 N GLN A 20 -8.038 4.325 5.254 1.00 0.00 N ATOM 288 CA GLN A 20 -8.818 3.806 4.144 1.00 0.00 C ATOM 289 C GLN A 20 -8.101 2.616 3.502 1.00 0.00 C ATOM 290 O GLN A 20 -8.720 1.588 3.230 1.00 0.00 O ATOM 291 CB GLN A 20 -9.097 4.899 3.111 1.00 0.00 C ATOM 292 CG GLN A 20 -10.020 4.386 2.004 1.00 0.00 C ATOM 293 CD GLN A 20 -11.446 4.194 2.525 1.00 0.00 C ATOM 294 OE1 GLN A 20 -11.634 3.051 3.178 1.00 0.00 O flip ATOM 295 NE2 GLN A 20 -12.317 5.029 2.345 1.00 0.00 N flip ATOM 0 H GLN A 20 -7.734 5.293 5.146 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.778 3.463 4.530 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.554 5.759 3.601 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.158 5.242 2.676 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.024 5.091 1.173 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.640 3.440 1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.104 5.886 1.834 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.258 4.870 2.705 1.00 0.00 H new ATOM 304 N ALA A 21 -6.808 2.795 3.280 1.00 0.00 N ATOM 305 CA ALA A 21 -6.000 1.748 2.676 1.00 0.00 C ATOM 306 C ALA A 21 -6.101 0.479 3.524 1.00 0.00 C ATOM 307 O ALA A 21 -6.437 -0.589 3.012 1.00 0.00 O ATOM 308 CB ALA A 21 -4.558 2.237 2.528 1.00 0.00 C ATOM 0 H ALA A 21 -6.299 3.649 3.507 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.367 1.508 1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.952 1.452 2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.538 3.123 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.155 2.485 3.510 1.00 0.00 H new ATOM 314 N MET A 22 -5.805 0.636 4.805 1.00 0.00 N ATOM 315 CA MET A 22 -5.858 -0.484 5.729 1.00 0.00 C ATOM 316 C MET A 22 -7.166 -1.262 5.573 1.00 0.00 C ATOM 317 O MET A 22 -7.163 -2.492 5.555 1.00 0.00 O ATOM 318 CB MET A 22 -5.738 0.031 7.165 1.00 0.00 C ATOM 319 CG MET A 22 -4.301 0.454 7.477 1.00 0.00 C ATOM 320 SD MET A 22 -3.864 -0.046 9.134 1.00 0.00 S ATOM 321 CE MET A 22 -3.767 -1.814 8.908 1.00 0.00 C ATOM 0 H MET A 22 -5.527 1.523 5.226 1.00 0.00 H new ATOM 0 HA MET A 22 -5.029 -1.155 5.504 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.410 0.877 7.309 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.051 -0.747 7.862 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.616 0.002 6.759 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.201 1.535 7.376 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.416 -2.280 9.829 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.754 -2.204 8.658 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.072 -2.040 8.099 1.00 0.00 H new ATOM 331 N ASP A 23 -8.253 -0.512 5.464 1.00 0.00 N ATOM 332 CA ASP A 23 -9.566 -1.116 5.311 1.00 0.00 C ATOM 333 C ASP A 23 -9.548 -2.069 4.114 1.00 0.00 C ATOM 334 O ASP A 23 -9.952 -3.225 4.229 1.00 0.00 O ATOM 335 CB ASP A 23 -10.635 -0.052 5.051 1.00 0.00 C ATOM 336 CG ASP A 23 -11.850 -0.117 5.978 1.00 0.00 C ATOM 337 OD1 ASP A 23 -12.603 -1.108 5.858 1.00 0.00 O ATOM 338 OD2 ASP A 23 -11.999 0.825 6.786 1.00 0.00 O ATOM 0 H ASP A 23 -8.251 0.508 5.479 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.802 -1.647 6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.177 0.933 5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.977 -0.147 4.021 1.00 0.00 H new ATOM 343 N ASP A 24 -9.074 -1.548 2.991 1.00 0.00 N ATOM 344 CA ASP A 24 -8.997 -2.338 1.774 1.00 0.00 C ATOM 345 C ASP A 24 -8.304 -3.668 2.077 1.00 0.00 C ATOM 346 O ASP A 24 -8.824 -4.733 1.747 1.00 0.00 O ATOM 347 CB ASP A 24 -8.184 -1.615 0.698 1.00 0.00 C ATOM 348 CG ASP A 24 -8.869 -1.505 -0.665 1.00 0.00 C ATOM 349 OD1 ASP A 24 -9.602 -2.458 -1.011 1.00 0.00 O ATOM 350 OD2 ASP A 24 -8.645 -0.472 -1.332 1.00 0.00 O ATOM 0 H ASP A 24 -8.740 -0.589 2.899 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.012 -2.498 1.412 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.951 -0.611 1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.235 -2.136 0.570 1.00 0.00 H new ATOM 355 N PHE A 25 -7.140 -3.563 2.701 1.00 0.00 N ATOM 356 CA PHE A 25 -6.369 -4.744 3.052 1.00 0.00 C ATOM 357 C PHE A 25 -7.150 -5.642 4.014 1.00 0.00 C ATOM 358 O PHE A 25 -7.105 -6.866 3.902 1.00 0.00 O ATOM 359 CB PHE A 25 -5.096 -4.257 3.747 1.00 0.00 C ATOM 360 CG PHE A 25 -4.083 -3.606 2.804 1.00 0.00 C ATOM 361 CD1 PHE A 25 -3.744 -4.222 1.640 1.00 0.00 C ATOM 362 CD2 PHE A 25 -3.520 -2.412 3.130 1.00 0.00 C ATOM 363 CE1 PHE A 25 -2.803 -3.618 0.765 1.00 0.00 C ATOM 364 CE2 PHE A 25 -2.579 -1.807 2.255 1.00 0.00 C ATOM 365 CZ PHE A 25 -2.240 -2.423 1.091 1.00 0.00 C ATOM 0 H PHE A 25 -6.712 -2.678 2.973 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.147 -5.323 2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.369 -3.540 4.522 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.621 -5.101 4.247 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.191 -5.171 1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.789 -1.923 4.055 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.534 -4.107 -0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.133 -0.858 2.514 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.524 -1.964 0.425 1.00 0.00 H new ATOM 375 N LYS A 26 -7.848 -4.998 4.938 1.00 0.00 N ATOM 376 CA LYS A 26 -8.638 -5.723 5.919 1.00 0.00 C ATOM 377 C LYS A 26 -9.673 -6.587 5.197 1.00 0.00 C ATOM 378 O LYS A 26 -9.895 -7.739 5.569 1.00 0.00 O ATOM 379 CB LYS A 26 -9.246 -4.757 6.937 1.00 0.00 C ATOM 380 CG LYS A 26 -8.277 -4.494 8.092 1.00 0.00 C ATOM 381 CD LYS A 26 -7.920 -5.795 8.814 1.00 0.00 C ATOM 382 CE LYS A 26 -7.666 -5.543 10.302 1.00 0.00 C ATOM 383 NZ LYS A 26 -8.321 -6.586 11.123 1.00 0.00 N ATOM 0 H LYS A 26 -7.883 -3.983 5.028 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.004 -6.398 6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.496 -3.816 6.446 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.176 -5.171 7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.370 -4.024 7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.726 -3.794 8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.730 -6.515 8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.033 -6.236 8.359 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.594 -5.537 10.498 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.046 -4.560 10.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.139 -6.400 12.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.346 -6.572 10.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.939 -7.519 10.868 1.00 0.00 H new ATOM 397 N THR A 27 -10.280 -5.999 4.176 1.00 0.00 N ATOM 398 CA THR A 27 -11.286 -6.700 3.398 1.00 0.00 C ATOM 399 C THR A 27 -10.623 -7.670 2.418 1.00 0.00 C ATOM 400 O THR A 27 -11.161 -8.740 2.138 1.00 0.00 O ATOM 401 CB THR A 27 -12.169 -5.654 2.714 1.00 0.00 C ATOM 402 OG1 THR A 27 -13.380 -5.678 3.463 1.00 0.00 O ATOM 403 CG2 THR A 27 -12.593 -6.077 1.306 1.00 0.00 C ATOM 0 H THR A 27 -10.094 -5.044 3.870 1.00 0.00 H new ATOM 0 HA THR A 27 -11.921 -7.315 4.036 1.00 0.00 H new ATOM 0 HB THR A 27 -11.635 -4.705 2.663 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.010 -5.027 3.088 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.218 -5.300 0.865 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.707 -6.224 0.688 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.157 -7.008 1.360 1.00 0.00 H new ATOM 411 N MET A 28 -9.463 -7.261 1.925 1.00 0.00 N ATOM 412 CA MET A 28 -8.720 -8.081 0.982 1.00 0.00 C ATOM 413 C MET A 28 -8.250 -9.381 1.638 1.00 0.00 C ATOM 414 O MET A 28 -8.442 -10.463 1.087 1.00 0.00 O ATOM 415 CB MET A 28 -7.509 -7.300 0.471 1.00 0.00 C ATOM 416 CG MET A 28 -7.946 -6.103 -0.376 1.00 0.00 C ATOM 417 SD MET A 28 -7.715 -6.464 -2.109 1.00 0.00 S ATOM 418 CE MET A 28 -5.934 -6.570 -2.169 1.00 0.00 C ATOM 0 H MET A 28 -9.019 -6.373 2.160 1.00 0.00 H new ATOM 0 HA MET A 28 -9.378 -8.333 0.150 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.912 -6.954 1.315 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.872 -7.956 -0.122 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.993 -5.872 -0.181 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.368 -5.221 -0.100 1.00 0.00 H new ATOM 0 HE1 MET A 28 -5.563 -5.992 -3.016 1.00 0.00 H new ATOM 0 HE2 MET A 28 -5.514 -6.170 -1.246 1.00 0.00 H new ATOM 0 HE3 MET A 28 -5.635 -7.612 -2.282 1.00 0.00 H new ATOM 428 N PHE A 29 -7.643 -9.231 2.806 1.00 0.00 N ATOM 429 CA PHE A 29 -7.144 -10.380 3.543 1.00 0.00 C ATOM 430 C PHE A 29 -7.566 -10.314 5.012 1.00 0.00 C ATOM 431 O PHE A 29 -6.967 -9.586 5.802 1.00 0.00 O ATOM 432 CB PHE A 29 -5.617 -10.334 3.461 1.00 0.00 C ATOM 433 CG PHE A 29 -5.072 -10.261 2.033 1.00 0.00 C ATOM 434 CD1 PHE A 29 -5.050 -9.071 1.374 1.00 0.00 C ATOM 435 CD2 PHE A 29 -4.611 -11.385 1.422 1.00 0.00 C ATOM 436 CE1 PHE A 29 -4.545 -9.003 0.049 1.00 0.00 C ATOM 437 CE2 PHE A 29 -4.105 -11.317 0.097 1.00 0.00 C ATOM 438 CZ PHE A 29 -4.083 -10.127 -0.562 1.00 0.00 C ATOM 0 H PHE A 29 -7.485 -8.331 3.260 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.547 -11.299 3.118 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.259 -9.469 4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.210 -11.220 3.949 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.417 -8.178 1.859 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.630 -12.330 1.945 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.528 -8.058 -0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.738 -12.210 -0.387 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.699 -10.075 -1.570 1.00 0.00 H new ATOM 448 N PRO A 30 -8.621 -11.106 5.343 1.00 0.00 N ATOM 449 CA PRO A 30 -9.130 -11.145 6.703 1.00 0.00 C ATOM 450 C PRO A 30 -8.199 -11.946 7.615 1.00 0.00 C ATOM 451 O PRO A 30 -8.024 -11.606 8.784 1.00 0.00 O ATOM 452 CB PRO A 30 -10.517 -11.755 6.587 1.00 0.00 C ATOM 453 CG PRO A 30 -10.551 -12.460 5.241 1.00 0.00 C ATOM 454 CD PRO A 30 -9.355 -11.982 4.434 1.00 0.00 C ATOM 0 HA PRO A 30 -9.181 -10.157 7.161 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.704 -12.456 7.400 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.288 -10.986 6.645 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.513 -13.541 5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.480 -12.236 4.716 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.738 -12.819 4.106 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.670 -11.448 3.538 1.00 0.00 H new ATOM 462 N ASN A 31 -7.625 -12.996 7.045 1.00 0.00 N ATOM 463 CA ASN A 31 -6.715 -13.849 7.791 1.00 0.00 C ATOM 464 C ASN A 31 -5.516 -13.022 8.259 1.00 0.00 C ATOM 465 O ASN A 31 -4.883 -13.352 9.261 1.00 0.00 O ATOM 466 CB ASN A 31 -6.191 -14.991 6.919 1.00 0.00 C ATOM 467 CG ASN A 31 -7.343 -15.744 6.251 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.503 -15.380 6.360 1.00 0.00 O ATOM 469 ND2 ASN A 31 -6.961 -16.811 5.555 1.00 0.00 N ATOM 0 H ASN A 31 -7.773 -13.275 6.075 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.260 -14.264 8.639 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.521 -14.593 6.157 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.606 -15.680 7.529 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.656 -17.380 5.072 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.973 -17.060 5.505 1.00 0.00 H new ATOM 476 N MET A 32 -5.239 -11.964 7.511 1.00 0.00 N ATOM 477 CA MET A 32 -4.127 -11.088 7.836 1.00 0.00 C ATOM 478 C MET A 32 -4.360 -10.378 9.171 1.00 0.00 C ATOM 479 O MET A 32 -5.468 -10.402 9.706 1.00 0.00 O ATOM 480 CB MET A 32 -3.955 -10.048 6.727 1.00 0.00 C ATOM 481 CG MET A 32 -2.713 -10.344 5.885 1.00 0.00 C ATOM 482 SD MET A 32 -2.842 -11.969 5.158 1.00 0.00 S ATOM 483 CE MET A 32 -1.279 -12.051 4.301 1.00 0.00 C ATOM 0 H MET A 32 -5.766 -11.694 6.681 1.00 0.00 H new ATOM 0 HA MET A 32 -3.225 -11.694 7.921 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.839 -10.043 6.089 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.873 -9.054 7.166 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.607 -9.593 5.102 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.819 -10.284 6.506 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.156 -13.041 3.863 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.257 -11.300 3.512 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.468 -11.862 5.004 1.00 0.00 H new ATOM 493 N ASP A 33 -3.299 -9.762 9.671 1.00 0.00 N ATOM 494 CA ASP A 33 -3.374 -9.046 10.933 1.00 0.00 C ATOM 495 C ASP A 33 -3.056 -7.568 10.696 1.00 0.00 C ATOM 496 O ASP A 33 -2.114 -7.240 9.976 1.00 0.00 O ATOM 497 CB ASP A 33 -2.359 -9.593 11.938 1.00 0.00 C ATOM 498 CG ASP A 33 -2.953 -10.054 13.271 1.00 0.00 C ATOM 499 OD1 ASP A 33 -3.104 -9.184 14.155 1.00 0.00 O ATOM 500 OD2 ASP A 33 -3.241 -11.266 13.375 1.00 0.00 O ATOM 0 H ASP A 33 -2.382 -9.744 9.225 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.380 -9.172 11.332 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.834 -10.432 11.482 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.615 -8.822 12.136 1.00 0.00 H new ATOM 505 N TYR A 34 -3.858 -6.716 11.316 1.00 0.00 N ATOM 506 CA TYR A 34 -3.673 -5.281 11.182 1.00 0.00 C ATOM 507 C TYR A 34 -2.198 -4.902 11.326 1.00 0.00 C ATOM 508 O TYR A 34 -1.747 -3.917 10.745 1.00 0.00 O ATOM 509 CB TYR A 34 -4.465 -4.645 12.327 1.00 0.00 C ATOM 510 CG TYR A 34 -4.793 -3.167 12.111 1.00 0.00 C ATOM 511 CD1 TYR A 34 -5.763 -2.801 11.200 1.00 0.00 C ATOM 512 CD2 TYR A 34 -4.118 -2.198 12.826 1.00 0.00 C ATOM 513 CE1 TYR A 34 -6.072 -1.410 10.996 1.00 0.00 C ATOM 514 CE2 TYR A 34 -4.427 -0.806 12.622 1.00 0.00 C ATOM 515 CZ TYR A 34 -5.389 -0.481 11.717 1.00 0.00 C ATOM 516 OH TYR A 34 -5.680 0.834 11.525 1.00 0.00 O ATOM 0 H TYR A 34 -4.638 -6.992 11.913 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.008 -4.941 10.202 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.395 -5.197 12.462 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.896 -4.749 13.251 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.291 -3.559 10.640 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.358 -2.484 13.538 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.829 -1.111 10.286 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.907 -0.038 13.175 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.249 1.148 10.703 1.00 0.00 H new ATOM 526 N ASP A 35 -1.487 -5.706 12.104 1.00 0.00 N ATOM 527 CA ASP A 35 -0.072 -5.467 12.331 1.00 0.00 C ATOM 528 C ASP A 35 0.722 -5.934 11.110 1.00 0.00 C ATOM 529 O ASP A 35 1.668 -5.270 10.689 1.00 0.00 O ATOM 530 CB ASP A 35 0.430 -6.248 13.548 1.00 0.00 C ATOM 531 CG ASP A 35 1.951 -6.303 13.698 1.00 0.00 C ATOM 532 OD1 ASP A 35 2.548 -7.224 13.101 1.00 0.00 O ATOM 533 OD2 ASP A 35 2.483 -5.422 14.408 1.00 0.00 O ATOM 0 H ASP A 35 -1.864 -6.523 12.584 1.00 0.00 H new ATOM 0 HA ASP A 35 0.066 -4.400 12.505 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.007 -5.801 14.448 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.049 -7.267 13.489 1.00 0.00 H new ATOM 538 N ILE A 36 0.309 -7.074 10.575 1.00 0.00 N ATOM 539 CA ILE A 36 0.970 -7.637 9.410 1.00 0.00 C ATOM 540 C ILE A 36 0.746 -6.718 8.207 1.00 0.00 C ATOM 541 O ILE A 36 1.699 -6.317 7.542 1.00 0.00 O ATOM 542 CB ILE A 36 0.510 -9.078 9.177 1.00 0.00 C ATOM 543 CG1 ILE A 36 0.761 -9.940 10.416 1.00 0.00 C ATOM 544 CG2 ILE A 36 1.164 -9.667 7.926 1.00 0.00 C ATOM 545 CD1 ILE A 36 2.097 -9.584 11.070 1.00 0.00 C ATOM 0 H ILE A 36 -0.475 -7.623 10.927 1.00 0.00 H new ATOM 0 HA ILE A 36 2.046 -7.692 9.573 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.566 -9.070 9.003 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.048 -9.798 11.132 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.758 -10.994 10.137 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.820 -10.691 7.784 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.891 -9.069 7.057 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.247 -9.661 8.045 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.251 -10.211 11.948 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.906 -9.751 10.359 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.088 -8.536 11.370 1.00 0.00 H new ATOM 557 N ILE A 37 -0.521 -6.411 7.965 1.00 0.00 N ATOM 558 CA ILE A 37 -0.882 -5.547 6.855 1.00 0.00 C ATOM 559 C ILE A 37 0.050 -4.334 6.833 1.00 0.00 C ATOM 560 O ILE A 37 0.753 -4.104 5.850 1.00 0.00 O ATOM 561 CB ILE A 37 -2.366 -5.181 6.922 1.00 0.00 C ATOM 562 CG1 ILE A 37 -3.243 -6.369 6.518 1.00 0.00 C ATOM 563 CG2 ILE A 37 -2.663 -3.938 6.080 1.00 0.00 C ATOM 564 CD1 ILE A 37 -4.475 -6.472 7.419 1.00 0.00 C ATOM 0 H ILE A 37 -1.309 -6.746 8.519 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.748 -6.069 5.907 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.611 -4.936 7.956 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.556 -6.258 5.480 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.664 -7.291 6.580 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.725 -3.700 6.145 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.079 -3.097 6.454 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.397 -4.131 5.041 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.081 -7.324 7.111 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.159 -6.607 8.453 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.064 -5.559 7.336 1.00 0.00 H new ATOM 576 N GLU A 38 0.026 -3.590 7.930 1.00 0.00 N ATOM 577 CA GLU A 38 0.860 -2.407 8.049 1.00 0.00 C ATOM 578 C GLU A 38 2.335 -2.777 7.874 1.00 0.00 C ATOM 579 O GLU A 38 3.062 -2.111 7.139 1.00 0.00 O ATOM 580 CB GLU A 38 0.626 -1.704 9.388 1.00 0.00 C ATOM 581 CG GLU A 38 -0.758 -1.054 9.431 1.00 0.00 C ATOM 582 CD GLU A 38 -0.700 0.316 10.110 1.00 0.00 C ATOM 583 OE1 GLU A 38 0.195 1.101 9.728 1.00 0.00 O ATOM 584 OE2 GLU A 38 -1.551 0.547 10.996 1.00 0.00 O ATOM 0 H GLU A 38 -0.558 -3.784 8.744 1.00 0.00 H new ATOM 0 HA GLU A 38 0.584 -1.711 7.257 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.719 -2.423 10.202 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.393 -0.945 9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.144 -0.945 8.418 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.451 -1.701 9.969 1.00 0.00 H new ATOM 591 N CYS A 39 2.731 -3.836 8.563 1.00 0.00 N ATOM 592 CA CYS A 39 4.106 -4.303 8.494 1.00 0.00 C ATOM 593 C CYS A 39 4.554 -4.259 7.031 1.00 0.00 C ATOM 594 O CYS A 39 5.614 -3.718 6.719 1.00 0.00 O ATOM 595 CB CYS A 39 4.260 -5.701 9.096 1.00 0.00 C ATOM 596 SG CYS A 39 5.145 -5.598 10.695 1.00 0.00 S ATOM 0 H CYS A 39 2.124 -4.385 9.172 1.00 0.00 H new ATOM 0 HA CYS A 39 4.745 -3.651 9.089 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.279 -6.153 9.242 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.808 -6.344 8.408 1.00 0.00 H new ATOM 0 HG CYS A 39 5.269 -6.790 11.200 1.00 0.00 H new ATOM 602 N VAL A 40 3.725 -4.836 6.174 1.00 0.00 N ATOM 603 CA VAL A 40 4.023 -4.869 4.752 1.00 0.00 C ATOM 604 C VAL A 40 4.101 -3.438 4.218 1.00 0.00 C ATOM 605 O VAL A 40 5.058 -3.077 3.535 1.00 0.00 O ATOM 606 CB VAL A 40 2.987 -5.726 4.021 1.00 0.00 C ATOM 607 CG1 VAL A 40 3.423 -6.002 2.580 1.00 0.00 C ATOM 608 CG2 VAL A 40 2.724 -7.031 4.774 1.00 0.00 C ATOM 0 H VAL A 40 2.847 -5.284 6.437 1.00 0.00 H new ATOM 0 HA VAL A 40 4.993 -5.334 4.575 1.00 0.00 H new ATOM 0 HB VAL A 40 2.053 -5.166 3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.670 -6.613 2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.535 -5.058 2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.375 -6.532 2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.984 -7.621 4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.652 -7.598 4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.349 -6.806 5.772 1.00 0.00 H new ATOM 618 N LEU A 41 3.080 -2.661 4.548 1.00 0.00 N ATOM 619 CA LEU A 41 3.020 -1.277 4.110 1.00 0.00 C ATOM 620 C LEU A 41 4.379 -0.613 4.344 1.00 0.00 C ATOM 621 O LEU A 41 4.948 -0.018 3.430 1.00 0.00 O ATOM 622 CB LEU A 41 1.856 -0.550 4.787 1.00 0.00 C ATOM 623 CG LEU A 41 0.461 -0.867 4.245 1.00 0.00 C ATOM 624 CD1 LEU A 41 -0.619 -0.152 5.059 1.00 0.00 C ATOM 625 CD2 LEU A 41 0.365 -0.539 2.753 1.00 0.00 C ATOM 0 H LEU A 41 2.287 -2.964 5.114 1.00 0.00 H new ATOM 0 HA LEU A 41 2.819 -1.225 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.874 -0.789 5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.023 0.523 4.698 1.00 0.00 H new ATOM 0 HG LEU A 41 0.288 -1.938 4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.601 -0.394 4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.566 -0.477 6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.461 0.925 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.637 -0.774 2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.567 0.521 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.096 -1.131 2.203 1.00 0.00 H new ATOM 637 N ARG A 42 4.859 -0.738 5.573 1.00 0.00 N ATOM 638 CA ARG A 42 6.140 -0.158 5.938 1.00 0.00 C ATOM 639 C ARG A 42 7.283 -0.959 5.312 1.00 0.00 C ATOM 640 O ARG A 42 8.233 -0.383 4.784 1.00 0.00 O ATOM 641 CB ARG A 42 6.318 -0.129 7.457 1.00 0.00 C ATOM 642 CG ARG A 42 5.050 0.377 8.149 1.00 0.00 C ATOM 643 CD ARG A 42 5.395 1.321 9.302 1.00 0.00 C ATOM 644 NE ARG A 42 4.160 1.720 10.015 1.00 0.00 N ATOM 645 CZ ARG A 42 3.285 2.623 9.553 1.00 0.00 C ATOM 646 NH1 ARG A 42 3.502 3.226 8.376 1.00 0.00 N ATOM 647 NH2 ARG A 42 2.192 2.923 10.268 1.00 0.00 N ATOM 0 H ARG A 42 4.384 -1.232 6.328 1.00 0.00 H new ATOM 0 HA ARG A 42 6.161 0.865 5.562 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.559 -1.129 7.818 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.159 0.514 7.716 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.419 0.895 7.427 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.475 -0.469 8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.081 0.830 9.992 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.906 2.205 8.919 1.00 0.00 H new ATOM 0 HE ARG A 42 3.963 1.280 10.914 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.334 2.997 7.832 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.835 3.913 8.025 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.027 2.464 11.164 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.526 3.611 9.917 1.00 0.00 H new ATOM 661 N ALA A 43 7.154 -2.275 5.393 1.00 0.00 N ATOM 662 CA ALA A 43 8.165 -3.161 4.841 1.00 0.00 C ATOM 663 C ALA A 43 8.359 -2.845 3.356 1.00 0.00 C ATOM 664 O ALA A 43 9.433 -3.079 2.804 1.00 0.00 O ATOM 665 CB ALA A 43 7.753 -4.616 5.077 1.00 0.00 C ATOM 0 H ALA A 43 6.365 -2.749 5.832 1.00 0.00 H new ATOM 0 HA ALA A 43 9.122 -3.007 5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.511 -5.281 4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.657 -4.798 6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.797 -4.807 4.589 1.00 0.00 H new ATOM 671 N ASN A 44 7.304 -2.317 2.754 1.00 0.00 N ATOM 672 CA ASN A 44 7.345 -1.965 1.344 1.00 0.00 C ATOM 673 C ASN A 44 7.597 -0.463 1.205 1.00 0.00 C ATOM 674 O ASN A 44 8.027 0.003 0.150 1.00 0.00 O ATOM 675 CB ASN A 44 6.016 -2.287 0.658 1.00 0.00 C ATOM 676 CG ASN A 44 5.879 -3.790 0.406 1.00 0.00 C ATOM 677 OD1 ASN A 44 5.811 -4.254 -0.721 1.00 0.00 O ATOM 678 ND2 ASN A 44 5.843 -4.523 1.515 1.00 0.00 N ATOM 0 H ASN A 44 6.415 -2.124 3.216 1.00 0.00 H new ATOM 0 HA ASN A 44 8.142 -2.542 0.875 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.189 -1.942 1.279 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.951 -1.749 -0.288 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.754 -5.537 1.453 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.905 -4.071 2.427 1.00 0.00 H new ATOM 685 N SER A 45 7.320 0.254 2.284 1.00 0.00 N ATOM 686 CA SER A 45 7.512 1.694 2.295 1.00 0.00 C ATOM 687 C SER A 45 6.368 2.380 1.546 1.00 0.00 C ATOM 688 O SER A 45 6.523 2.766 0.389 1.00 0.00 O ATOM 689 CB SER A 45 8.857 2.076 1.674 1.00 0.00 C ATOM 690 OG SER A 45 9.650 2.862 2.559 1.00 0.00 O ATOM 0 H SER A 45 6.964 -0.136 3.157 1.00 0.00 H new ATOM 0 HA SER A 45 7.513 2.030 3.332 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.402 1.171 1.406 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.686 2.631 0.751 1.00 0.00 H new ATOM 0 HG SER A 45 10.501 3.084 2.126 1.00 0.00 H new ATOM 696 N GLY A 46 5.245 2.511 2.238 1.00 0.00 N ATOM 697 CA GLY A 46 4.076 3.144 1.652 1.00 0.00 C ATOM 698 C GLY A 46 3.936 2.777 0.174 1.00 0.00 C ATOM 699 O GLY A 46 4.314 3.554 -0.701 1.00 0.00 O ATOM 0 H GLY A 46 5.120 2.190 3.198 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.182 2.835 2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.154 4.226 1.756 1.00 0.00 H new ATOM 703 N ALA A 47 3.391 1.592 -0.060 1.00 0.00 N ATOM 704 CA ALA A 47 3.197 1.112 -1.418 1.00 0.00 C ATOM 705 C ALA A 47 2.129 0.017 -1.419 1.00 0.00 C ATOM 706 O ALA A 47 2.425 -1.145 -1.147 1.00 0.00 O ATOM 707 CB ALA A 47 4.532 0.624 -1.983 1.00 0.00 C ATOM 0 H ALA A 47 3.078 0.950 0.668 1.00 0.00 H new ATOM 0 HA ALA A 47 2.845 1.917 -2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.386 0.264 -3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.247 1.446 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.915 -0.187 -1.363 1.00 0.00 H new ATOM 713 N VAL A 48 0.907 0.427 -1.728 1.00 0.00 N ATOM 714 CA VAL A 48 -0.207 -0.505 -1.769 1.00 0.00 C ATOM 715 C VAL A 48 0.024 -1.522 -2.888 1.00 0.00 C ATOM 716 O VAL A 48 0.132 -2.720 -2.630 1.00 0.00 O ATOM 717 CB VAL A 48 -1.524 0.260 -1.919 1.00 0.00 C ATOM 718 CG1 VAL A 48 -2.711 -0.702 -1.990 1.00 0.00 C ATOM 719 CG2 VAL A 48 -1.704 1.270 -0.784 1.00 0.00 C ATOM 0 H VAL A 48 0.664 1.392 -1.952 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.274 -1.061 -0.834 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.485 0.814 -2.857 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.635 -0.133 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.592 -1.364 -2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.754 -1.295 -1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.648 1.800 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.712 0.746 0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.881 1.985 -0.799 1.00 0.00 H new ATOM 729 N ASP A 49 0.094 -1.007 -4.107 1.00 0.00 N ATOM 730 CA ASP A 49 0.311 -1.856 -5.266 1.00 0.00 C ATOM 731 C ASP A 49 1.340 -2.933 -4.919 1.00 0.00 C ATOM 732 O ASP A 49 1.298 -4.035 -5.464 1.00 0.00 O ATOM 733 CB ASP A 49 0.853 -1.047 -6.446 1.00 0.00 C ATOM 734 CG ASP A 49 -0.212 -0.490 -7.393 1.00 0.00 C ATOM 735 OD1 ASP A 49 -1.372 -0.378 -6.939 1.00 0.00 O ATOM 736 OD2 ASP A 49 0.157 -0.189 -8.548 1.00 0.00 O ATOM 0 H ASP A 49 0.004 -0.013 -4.317 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.645 -2.301 -5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.442 -0.216 -6.057 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.532 -1.679 -7.019 1.00 0.00 H new ATOM 741 N ALA A 50 2.239 -2.578 -4.014 1.00 0.00 N ATOM 742 CA ALA A 50 3.277 -3.501 -3.587 1.00 0.00 C ATOM 743 C ALA A 50 2.763 -4.332 -2.410 1.00 0.00 C ATOM 744 O ALA A 50 2.788 -5.560 -2.455 1.00 0.00 O ATOM 745 CB ALA A 50 4.545 -2.718 -3.238 1.00 0.00 C ATOM 0 H ALA A 50 2.271 -1.663 -3.564 1.00 0.00 H new ATOM 0 HA ALA A 50 3.531 -4.191 -4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.324 -3.410 -2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.886 -2.169 -4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.329 -2.017 -2.432 1.00 0.00 H new ATOM 751 N THR A 51 2.308 -3.627 -1.384 1.00 0.00 N ATOM 752 CA THR A 51 1.789 -4.284 -0.197 1.00 0.00 C ATOM 753 C THR A 51 0.802 -5.386 -0.586 1.00 0.00 C ATOM 754 O THR A 51 0.638 -6.364 0.142 1.00 0.00 O ATOM 755 CB THR A 51 1.177 -3.212 0.708 1.00 0.00 C ATOM 756 OG1 THR A 51 2.250 -2.305 0.945 1.00 0.00 O ATOM 757 CG2 THR A 51 0.827 -3.748 2.097 1.00 0.00 C ATOM 0 H THR A 51 2.288 -2.608 -1.351 1.00 0.00 H new ATOM 0 HA THR A 51 2.583 -4.783 0.358 1.00 0.00 H new ATOM 0 HB THR A 51 0.279 -2.810 0.239 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.211 -1.574 0.293 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.397 -2.947 2.698 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.105 -4.559 2.003 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.730 -4.120 2.581 1.00 0.00 H new ATOM 765 N ILE A 52 0.169 -5.191 -1.734 1.00 0.00 N ATOM 766 CA ILE A 52 -0.798 -6.157 -2.229 1.00 0.00 C ATOM 767 C ILE A 52 -0.065 -7.424 -2.673 1.00 0.00 C ATOM 768 O ILE A 52 -0.235 -8.486 -2.076 1.00 0.00 O ATOM 769 CB ILE A 52 -1.666 -5.533 -3.323 1.00 0.00 C ATOM 770 CG1 ILE A 52 -2.617 -4.486 -2.738 1.00 0.00 C ATOM 771 CG2 ILE A 52 -2.414 -6.610 -4.111 1.00 0.00 C ATOM 772 CD1 ILE A 52 -3.305 -3.689 -3.848 1.00 0.00 C ATOM 0 H ILE A 52 0.307 -4.379 -2.335 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.486 -6.448 -1.436 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.011 -5.017 -4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.368 -4.977 -2.119 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.063 -3.808 -2.089 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.024 -6.139 -4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.696 -7.284 -4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.056 -7.175 -3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.975 -2.952 -3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.553 -3.180 -4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.878 -4.367 -4.481 1.00 0.00 H new ATOM 784 N ASP A 53 0.735 -7.271 -3.718 1.00 0.00 N ATOM 785 CA ASP A 53 1.495 -8.389 -4.250 1.00 0.00 C ATOM 786 C ASP A 53 2.052 -9.218 -3.091 1.00 0.00 C ATOM 787 O ASP A 53 2.112 -10.444 -3.172 1.00 0.00 O ATOM 788 CB ASP A 53 2.674 -7.903 -5.094 1.00 0.00 C ATOM 789 CG ASP A 53 3.101 -8.851 -6.217 1.00 0.00 C ATOM 790 OD1 ASP A 53 2.321 -8.969 -7.186 1.00 0.00 O ATOM 791 OD2 ASP A 53 4.197 -9.435 -6.080 1.00 0.00 O ATOM 0 H ASP A 53 0.873 -6.389 -4.211 1.00 0.00 H new ATOM 0 HA ASP A 53 0.828 -8.984 -4.874 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.415 -6.939 -5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.527 -7.735 -4.437 1.00 0.00 H new ATOM 796 N GLN A 54 2.447 -8.516 -2.039 1.00 0.00 N ATOM 797 CA GLN A 54 2.997 -9.171 -0.865 1.00 0.00 C ATOM 798 C GLN A 54 1.942 -10.065 -0.212 1.00 0.00 C ATOM 799 O GLN A 54 2.035 -11.290 -0.275 1.00 0.00 O ATOM 800 CB GLN A 54 3.540 -8.145 0.132 1.00 0.00 C ATOM 801 CG GLN A 54 5.035 -8.356 0.376 1.00 0.00 C ATOM 802 CD GLN A 54 5.293 -9.690 1.080 1.00 0.00 C ATOM 803 OE1 GLN A 54 4.610 -10.677 0.864 1.00 0.00 O ATOM 804 NE2 GLN A 54 6.315 -9.664 1.931 1.00 0.00 N ATOM 0 H GLN A 54 2.397 -7.499 -1.976 1.00 0.00 H new ATOM 0 HA GLN A 54 3.831 -9.798 -1.181 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.368 -7.138 -0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.999 -8.227 1.075 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.569 -8.333 -0.574 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.427 -7.539 0.982 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.846 -8.803 2.065 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.568 -10.505 2.450 1.00 0.00 H new ATOM 813 N LEU A 55 0.961 -9.418 0.401 1.00 0.00 N ATOM 814 CA LEU A 55 -0.111 -10.139 1.065 1.00 0.00 C ATOM 815 C LEU A 55 -0.620 -11.250 0.143 1.00 0.00 C ATOM 816 O LEU A 55 -0.973 -12.333 0.607 1.00 0.00 O ATOM 817 CB LEU A 55 -1.204 -9.172 1.523 1.00 0.00 C ATOM 818 CG LEU A 55 -0.757 -8.054 2.468 1.00 0.00 C ATOM 819 CD1 LEU A 55 -1.817 -6.954 2.556 1.00 0.00 C ATOM 820 CD2 LEU A 55 -0.394 -8.613 3.845 1.00 0.00 C ATOM 0 H LEU A 55 0.887 -8.402 0.451 1.00 0.00 H new ATOM 0 HA LEU A 55 0.258 -10.619 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.652 -8.717 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.987 -9.747 2.017 1.00 0.00 H new ATOM 0 HG LEU A 55 0.145 -7.599 2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.474 -6.172 3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.983 -6.529 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.749 -7.376 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.080 -7.798 4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.263 -9.109 4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.420 -9.331 3.743 1.00 0.00 H new ATOM 832 N LEU A 56 -0.643 -10.942 -1.145 1.00 0.00 N ATOM 833 CA LEU A 56 -1.103 -11.900 -2.136 1.00 0.00 C ATOM 834 C LEU A 56 -0.367 -13.226 -1.936 1.00 0.00 C ATOM 835 O LEU A 56 -0.982 -14.236 -1.596 1.00 0.00 O ATOM 836 CB LEU A 56 -0.960 -11.323 -3.546 1.00 0.00 C ATOM 837 CG LEU A 56 -2.128 -10.468 -4.042 1.00 0.00 C ATOM 838 CD1 LEU A 56 -1.652 -9.428 -5.058 1.00 0.00 C ATOM 839 CD2 LEU A 56 -3.251 -11.343 -4.601 1.00 0.00 C ATOM 0 H LEU A 56 -0.350 -10.042 -1.526 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.166 -12.102 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.053 -10.719 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.819 -12.149 -4.243 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.538 -9.924 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.501 -8.833 -5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.914 -8.775 -4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.201 -9.933 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.068 -10.710 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.872 -11.933 -5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.615 -12.011 -3.820 1.00 0.00 H new ATOM 851 N GLN A 57 0.938 -13.181 -2.157 1.00 0.00 N ATOM 852 CA GLN A 57 1.765 -14.366 -2.005 1.00 0.00 C ATOM 853 C GLN A 57 1.571 -14.975 -0.615 1.00 0.00 C ATOM 854 O GLN A 57 1.283 -16.164 -0.488 1.00 0.00 O ATOM 855 CB GLN A 57 3.238 -14.044 -2.262 1.00 0.00 C ATOM 856 CG GLN A 57 3.567 -14.136 -3.754 1.00 0.00 C ATOM 857 CD GLN A 57 4.839 -13.351 -4.083 1.00 0.00 C ATOM 858 OE1 GLN A 57 5.342 -12.572 -3.290 1.00 0.00 O ATOM 859 NE2 GLN A 57 5.329 -13.600 -5.294 1.00 0.00 N ATOM 0 H GLN A 57 1.444 -12.342 -2.440 1.00 0.00 H new ATOM 0 HA GLN A 57 1.453 -15.100 -2.748 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.464 -13.042 -1.897 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.868 -14.736 -1.704 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.696 -15.180 -4.038 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.733 -13.747 -4.339 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.858 -14.264 -5.908 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.176 -13.127 -5.609 1.00 0.00 H new ATOM 868 N MET A 58 1.736 -14.131 0.393 1.00 0.00 N ATOM 869 CA MET A 58 1.582 -14.571 1.770 1.00 0.00 C ATOM 870 C MET A 58 0.387 -15.515 1.914 1.00 0.00 C ATOM 871 O MET A 58 0.393 -16.404 2.764 1.00 0.00 O ATOM 872 CB MET A 58 1.384 -13.354 2.675 1.00 0.00 C ATOM 873 CG MET A 58 2.729 -12.754 3.092 1.00 0.00 C ATOM 874 SD MET A 58 2.636 -12.156 4.771 1.00 0.00 S ATOM 875 CE MET A 58 2.952 -10.420 4.499 1.00 0.00 C ATOM 0 H MET A 58 1.975 -13.145 0.284 1.00 0.00 H new ATOM 0 HA MET A 58 2.483 -15.110 2.063 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.792 -12.601 2.154 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.821 -13.644 3.562 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.514 -13.506 3.008 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.996 -11.938 2.421 1.00 0.00 H new ATOM 0 HE1 MET A 58 2.452 -9.834 5.270 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.025 -10.235 4.541 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.571 -10.130 3.520 1.00 0.00 H new ATOM 885 N ASN A 59 -0.609 -15.290 1.070 1.00 0.00 N ATOM 886 CA ASN A 59 -1.808 -16.110 1.092 1.00 0.00 C ATOM 887 C ASN A 59 -1.768 -17.097 -0.076 1.00 0.00 C ATOM 888 O ASN A 59 -2.351 -18.178 -0.001 1.00 0.00 O ATOM 889 CB ASN A 59 -3.066 -15.251 0.943 1.00 0.00 C ATOM 890 CG ASN A 59 -4.165 -15.717 1.900 1.00 0.00 C ATOM 891 OD1 ASN A 59 -4.822 -16.723 1.688 1.00 0.00 O ATOM 892 ND2 ASN A 59 -4.327 -14.932 2.960 1.00 0.00 N ATOM 0 H ASN A 59 -0.610 -14.551 0.366 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.840 -16.634 2.047 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.824 -14.207 1.143 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.427 -15.304 -0.084 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.036 -15.157 3.658 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.742 -14.104 3.076 1.00 0.00 H new ATOM 899 N LEU A 60 -1.076 -16.690 -1.130 1.00 0.00 N ATOM 900 CA LEU A 60 -0.952 -17.524 -2.312 1.00 0.00 C ATOM 901 C LEU A 60 -2.291 -18.211 -2.589 1.00 0.00 C ATOM 902 O LEU A 60 -2.325 -19.337 -3.082 1.00 0.00 O ATOM 903 CB LEU A 60 0.218 -18.498 -2.161 1.00 0.00 C ATOM 904 CG LEU A 60 1.322 -18.389 -3.216 1.00 0.00 C ATOM 905 CD1 LEU A 60 2.597 -19.094 -2.749 1.00 0.00 C ATOM 906 CD2 LEU A 60 0.840 -18.913 -4.570 1.00 0.00 C ATOM 0 H LEU A 60 -0.595 -15.792 -1.189 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.719 -16.914 -3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.666 -18.348 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.176 -19.514 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 60 1.566 -17.335 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.366 -19.002 -3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.949 -18.635 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.386 -20.149 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.643 -18.824 -5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.551 -19.960 -4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.019 -18.329 -4.901 1.00 0.00 H new ATOM 918 N GLU A 61 -3.362 -17.504 -2.259 1.00 0.00 N ATOM 919 CA GLU A 61 -4.700 -18.031 -2.465 1.00 0.00 C ATOM 920 C GLU A 61 -5.451 -17.185 -3.495 1.00 0.00 C ATOM 921 O GLU A 61 -5.823 -16.046 -3.216 1.00 0.00 O ATOM 922 CB GLU A 61 -5.472 -18.100 -1.146 1.00 0.00 C ATOM 923 CG GLU A 61 -5.212 -19.426 -0.428 1.00 0.00 C ATOM 924 CD GLU A 61 -6.398 -19.812 0.458 1.00 0.00 C ATOM 925 OE1 GLU A 61 -6.723 -19.003 1.354 1.00 0.00 O ATOM 926 OE2 GLU A 61 -6.953 -20.906 0.220 1.00 0.00 O ATOM 0 H GLU A 61 -3.330 -16.570 -1.850 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.613 -19.047 -2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.177 -17.270 -0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.539 -17.990 -1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.031 -20.211 -1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.311 -19.344 0.180 1.00 0.00 H new ATOM 933 N SER A 62 -5.650 -17.774 -4.665 1.00 0.00 N ATOM 934 CA SER A 62 -6.350 -17.088 -5.738 1.00 0.00 C ATOM 935 C SER A 62 -7.842 -16.993 -5.414 1.00 0.00 C ATOM 936 O SER A 62 -8.640 -17.792 -5.902 1.00 0.00 O ATOM 937 CB SER A 62 -6.143 -17.802 -7.076 1.00 0.00 C ATOM 938 OG SER A 62 -5.609 -16.931 -8.069 1.00 0.00 O ATOM 0 H SER A 62 -5.339 -18.718 -4.894 1.00 0.00 H new ATOM 0 HA SER A 62 -5.939 -16.082 -5.825 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.470 -18.647 -6.935 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.094 -18.206 -7.422 1.00 0.00 H new ATOM 0 HG SER A 62 -5.490 -17.425 -8.907 1.00 0.00 H new ATOM 944 N GLY A 63 -8.174 -16.009 -4.591 1.00 0.00 N ATOM 945 CA GLY A 63 -9.556 -15.799 -4.195 1.00 0.00 C ATOM 946 C GLY A 63 -10.024 -14.389 -4.562 1.00 0.00 C ATOM 947 O GLY A 63 -9.214 -13.468 -4.658 1.00 0.00 O ATOM 0 H GLY A 63 -7.510 -15.348 -4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.194 -16.536 -4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.657 -15.951 -3.120 1.00 0.00 H new ATOM 951 N PRO A 64 -11.363 -14.261 -4.763 1.00 0.00 N ATOM 952 CA PRO A 64 -11.948 -12.979 -5.117 1.00 0.00 C ATOM 953 C PRO A 64 -12.006 -12.049 -3.904 1.00 0.00 C ATOM 954 O PRO A 64 -11.836 -12.491 -2.769 1.00 0.00 O ATOM 955 CB PRO A 64 -13.321 -13.314 -5.675 1.00 0.00 C ATOM 956 CG PRO A 64 -13.639 -14.718 -5.185 1.00 0.00 C ATOM 957 CD PRO A 64 -12.352 -15.330 -4.657 1.00 0.00 C ATOM 0 HA PRO A 64 -11.356 -12.435 -5.853 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -14.068 -12.601 -5.328 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.321 -13.271 -6.764 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -14.396 -14.687 -4.402 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.045 -15.323 -5.996 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -12.466 -15.663 -3.625 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -12.058 -16.201 -5.243 1.00 0.00 H new ATOM 965 N SER A 65 -12.245 -10.776 -4.185 1.00 0.00 N ATOM 966 CA SER A 65 -12.328 -9.780 -3.131 1.00 0.00 C ATOM 967 C SER A 65 -13.344 -8.700 -3.510 1.00 0.00 C ATOM 968 O SER A 65 -14.346 -8.517 -2.820 1.00 0.00 O ATOM 969 CB SER A 65 -10.960 -9.149 -2.861 1.00 0.00 C ATOM 970 OG SER A 65 -10.953 -8.384 -1.659 1.00 0.00 O ATOM 0 H SER A 65 -12.384 -10.412 -5.128 1.00 0.00 H new ATOM 0 HA SER A 65 -12.657 -10.275 -2.218 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.206 -9.933 -2.796 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.684 -8.509 -3.699 1.00 0.00 H new ATOM 0 HG SER A 65 -10.307 -7.652 -1.741 1.00 0.00 H new ATOM 976 N SER A 66 -13.050 -8.014 -4.604 1.00 0.00 N ATOM 977 CA SER A 66 -13.926 -6.958 -5.083 1.00 0.00 C ATOM 978 C SER A 66 -13.365 -6.358 -6.373 1.00 0.00 C ATOM 979 O SER A 66 -12.164 -6.437 -6.628 1.00 0.00 O ATOM 980 CB SER A 66 -14.104 -5.868 -4.024 1.00 0.00 C ATOM 981 OG SER A 66 -15.116 -4.932 -4.386 1.00 0.00 O ATOM 0 H SER A 66 -12.218 -8.168 -5.173 1.00 0.00 H new ATOM 0 HA SER A 66 -14.905 -7.392 -5.287 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.360 -6.328 -3.070 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.159 -5.343 -3.881 1.00 0.00 H new ATOM 0 HG SER A 66 -15.200 -4.254 -3.684 1.00 0.00 H new ATOM 987 N GLY A 67 -14.261 -5.770 -7.153 1.00 0.00 N ATOM 988 CA GLY A 67 -13.870 -5.156 -8.411 1.00 0.00 C ATOM 989 C GLY A 67 -15.066 -4.483 -9.087 1.00 0.00 C ATOM 990 O GLY A 67 -14.986 -3.322 -9.485 1.00 0.00 O ATOM 0 H GLY A 67 -15.256 -5.706 -6.938 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.087 -4.419 -8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.451 -5.913 -9.074 1.00 0.00 H new TER 994 GLY A 67