USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 428 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 23 ASN : amide:sc= -1.06 K(o=-12,f=-19!) USER MOD Set 1.2: A 26 GLN : amide:sc= -3.9! C(o=-12!,f=-13!) USER MOD Set 1.3: A 55 GLN : amide:sc= -7.31! C(o=-12!,f=-13!) USER MOD Set 2.1: A 40 GLN : amide:sc= -0.331 K(o=-0.47,f=-2) USER MOD Set 2.2: A 43 ASN : amide:sc= -0.143 K(o=-0.47,f=-1.6!) USER MOD Set 3.1: A 21 ASN :FLIP amide:sc= -1.56 F(o=-6.3!,f=-2.6) USER MOD Set 3.2: A 52 ASN : amide:sc= -1.06 K(o=-2.6,f=-9.4!) USER MOD Single : A 4 LYS NZ :NH3+ -121:sc= -0.327 (180deg=-1.62) USER MOD Single : A 6 ASN : amide:sc= -0.0502 X(o=-0.05,f=-0.38) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 172:sc= -10.1! (180deg=-10.4!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.187 K(o=0.19,f=-1.5) USER MOD Single : A 33 SER OG : rot 64:sc= 0.889 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -1.5 USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= 0.216 (180deg=-0.0724) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 -0.729 -13.249 8.890 1.00 0.00 N ATOM 46 CA LYS A 4 0.489 -12.757 8.243 1.00 0.00 C ATOM 47 C LYS A 4 0.250 -11.386 7.624 1.00 0.00 C ATOM 48 O LYS A 4 1.113 -10.847 6.925 1.00 0.00 O ATOM 49 CB LYS A 4 0.954 -13.732 7.155 1.00 0.00 C ATOM 50 CG LYS A 4 1.170 -15.129 7.759 1.00 0.00 C ATOM 51 CD LYS A 4 1.872 -16.044 6.741 1.00 0.00 C ATOM 52 CE LYS A 4 0.962 -16.293 5.528 1.00 0.00 C ATOM 53 NZ LYS A 4 1.233 -15.267 4.480 1.00 0.00 N ATOM 0 HA LYS A 4 1.264 -12.676 9.005 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.212 -13.782 6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.880 -13.374 6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.771 -15.053 8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.212 -15.561 8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.806 -15.587 6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.129 -16.993 7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.138 -17.291 5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.084 -16.251 5.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.360 -14.740 4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.964 -14.609 4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.564 -15.736 3.613 1.00 0.00 H new ATOM 67 N PHE A 5 -0.937 -10.842 7.875 1.00 0.00 N ATOM 68 CA PHE A 5 -1.317 -9.548 7.335 1.00 0.00 C ATOM 69 C PHE A 5 -0.303 -8.473 7.675 1.00 0.00 C ATOM 70 O PHE A 5 0.198 -7.784 6.797 1.00 0.00 O ATOM 71 CB PHE A 5 -2.612 -9.079 7.990 1.00 0.00 C ATOM 72 CG PHE A 5 -3.841 -9.720 7.404 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.874 -11.093 7.117 1.00 0.00 C ATOM 74 CD2 PHE A 5 -4.973 -8.925 7.177 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.044 -11.660 6.595 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.136 -9.493 6.660 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.175 -10.855 6.367 1.00 0.00 C ATOM 0 H PHE A 5 -1.653 -11.283 8.452 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.402 -9.680 6.256 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.571 -9.297 9.057 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.691 -7.997 7.888 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.005 -11.708 7.297 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.944 -7.869 7.403 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.078 -12.715 6.368 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.007 -8.878 6.486 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.076 -11.294 5.964 1.00 0.00 H new ATOM 87 N ASN A 6 -0.059 -8.310 8.974 1.00 0.00 N ATOM 88 CA ASN A 6 0.834 -7.270 9.461 1.00 0.00 C ATOM 89 C ASN A 6 2.211 -7.344 8.834 1.00 0.00 C ATOM 90 O ASN A 6 2.726 -6.333 8.382 1.00 0.00 O ATOM 91 CB ASN A 6 0.977 -7.386 10.974 1.00 0.00 C ATOM 92 CG ASN A 6 -0.385 -7.250 11.654 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.192 -6.402 11.273 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.692 -8.041 12.645 1.00 0.00 N ATOM 0 H ASN A 6 -0.470 -8.888 9.707 1.00 0.00 H new ATOM 0 HA ASN A 6 0.391 -6.314 9.183 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.423 -8.347 11.230 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.652 -6.613 11.341 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.600 -7.956 13.103 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.025 -8.744 12.962 1.00 0.00 H new ATOM 101 N LYS A 7 2.796 -8.537 8.797 1.00 0.00 N ATOM 102 CA LYS A 7 4.121 -8.700 8.221 1.00 0.00 C ATOM 103 C LYS A 7 4.125 -8.283 6.760 1.00 0.00 C ATOM 104 O LYS A 7 5.048 -7.608 6.306 1.00 0.00 O ATOM 105 CB LYS A 7 4.576 -10.151 8.378 1.00 0.00 C ATOM 106 CG LYS A 7 5.992 -10.346 7.800 1.00 0.00 C ATOM 107 CD LYS A 7 7.037 -9.653 8.697 1.00 0.00 C ATOM 108 CE LYS A 7 7.450 -8.309 8.083 1.00 0.00 C ATOM 109 NZ LYS A 7 8.703 -7.830 8.734 1.00 0.00 N ATOM 0 H LYS A 7 2.377 -9.395 9.155 1.00 0.00 H new ATOM 0 HA LYS A 7 4.822 -8.055 8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.567 -10.428 9.432 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.876 -10.814 7.869 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.217 -11.410 7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.040 -9.936 6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.625 -9.495 9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.912 -10.293 8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.604 -8.419 7.010 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.655 -7.576 8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.984 -6.919 8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.540 -7.710 9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.460 -8.527 8.584 1.00 0.00 H new ATOM 123 N GLU A 8 3.074 -8.657 6.038 1.00 0.00 N ATOM 124 CA GLU A 8 2.960 -8.290 4.635 1.00 0.00 C ATOM 125 C GLU A 8 2.645 -6.803 4.526 1.00 0.00 C ATOM 126 O GLU A 8 3.112 -6.112 3.621 1.00 0.00 O ATOM 127 CB GLU A 8 1.849 -9.128 3.998 1.00 0.00 C ATOM 128 CG GLU A 8 1.807 -8.885 2.485 1.00 0.00 C ATOM 129 CD GLU A 8 3.064 -9.420 1.785 1.00 0.00 C ATOM 130 OE1 GLU A 8 3.623 -10.405 2.249 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.451 -8.830 0.789 1.00 0.00 O ATOM 0 H GLU A 8 2.296 -9.209 6.399 1.00 0.00 H new ATOM 0 HA GLU A 8 3.897 -8.483 4.112 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.020 -10.186 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.888 -8.870 4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.924 -9.366 2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.710 -7.817 2.291 1.00 0.00 H new ATOM 138 N ARG A 9 1.849 -6.336 5.480 1.00 0.00 N ATOM 139 CA ARG A 9 1.433 -4.954 5.560 1.00 0.00 C ATOM 140 C ARG A 9 2.584 -4.036 5.920 1.00 0.00 C ATOM 141 O ARG A 9 2.603 -2.912 5.474 1.00 0.00 O ATOM 142 CB ARG A 9 0.297 -4.797 6.574 1.00 0.00 C ATOM 143 CG ARG A 9 -1.012 -5.285 5.943 1.00 0.00 C ATOM 144 CD ARG A 9 -2.101 -5.416 7.010 1.00 0.00 C ATOM 145 NE ARG A 9 -2.435 -4.105 7.570 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.853 -3.108 6.798 1.00 0.00 C ATOM 147 NH1 ARG A 9 -4.008 -3.182 6.210 1.00 0.00 N ATOM 148 NH2 ARG A 9 -2.100 -2.062 6.622 1.00 0.00 N ATOM 0 H ARG A 9 1.473 -6.920 6.227 1.00 0.00 H new ATOM 0 HA ARG A 9 1.076 -4.664 4.572 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.516 -5.370 7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.203 -3.753 6.874 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.333 -4.587 5.170 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.852 -6.247 5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.992 -5.869 6.574 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.761 -6.081 7.804 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.345 -3.954 8.575 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.595 -4.006 6.341 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.329 -2.416 5.617 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.189 -2.007 7.077 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.421 -1.296 6.029 1.00 0.00 H new ATOM 162 N VAL A 10 3.529 -4.508 6.735 1.00 0.00 N ATOM 163 CA VAL A 10 4.665 -3.667 7.134 1.00 0.00 C ATOM 164 C VAL A 10 5.447 -3.319 5.900 1.00 0.00 C ATOM 165 O VAL A 10 5.811 -2.169 5.645 1.00 0.00 O ATOM 166 CB VAL A 10 5.652 -4.387 8.072 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.705 -3.371 8.558 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.941 -5.021 9.271 1.00 0.00 C ATOM 0 H VAL A 10 3.535 -5.450 7.127 1.00 0.00 H new ATOM 0 HA VAL A 10 4.250 -2.802 7.652 1.00 0.00 H new ATOM 0 HB VAL A 10 6.130 -5.194 7.518 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.411 -3.868 9.224 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.241 -2.964 7.700 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.209 -2.562 9.094 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.673 -5.518 9.907 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.431 -4.246 9.843 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.212 -5.751 8.918 1.00 0.00 H new ATOM 178 N ILE A 11 5.707 -4.365 5.156 1.00 0.00 N ATOM 179 CA ILE A 11 6.449 -4.272 3.939 1.00 0.00 C ATOM 180 C ILE A 11 5.701 -3.387 2.961 1.00 0.00 C ATOM 181 O ILE A 11 6.270 -2.491 2.349 1.00 0.00 O ATOM 182 CB ILE A 11 6.581 -5.686 3.367 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.290 -6.595 4.389 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.369 -5.654 2.058 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.115 -8.061 3.975 1.00 0.00 C ATOM 0 H ILE A 11 5.403 -5.311 5.387 1.00 0.00 H new ATOM 0 HA ILE A 11 7.434 -3.841 4.116 1.00 0.00 H new ATOM 0 HB ILE A 11 5.586 -6.082 3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.350 -6.345 4.441 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.875 -6.435 5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.456 -6.665 1.661 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.849 -5.024 1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.364 -5.250 2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.616 -8.705 4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.053 -8.306 3.945 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.551 -8.215 2.988 1.00 0.00 H new ATOM 197 N ALA A 12 4.419 -3.686 2.826 1.00 0.00 N ATOM 198 CA ALA A 12 3.544 -2.980 1.910 1.00 0.00 C ATOM 199 C ALA A 12 3.228 -1.553 2.336 1.00 0.00 C ATOM 200 O ALA A 12 3.332 -0.635 1.526 1.00 0.00 O ATOM 201 CB ALA A 12 2.260 -3.764 1.821 1.00 0.00 C ATOM 0 H ALA A 12 3.956 -4.428 3.351 1.00 0.00 H new ATOM 0 HA ALA A 12 4.057 -2.902 0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.574 -3.262 1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.471 -4.767 1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.805 -3.830 2.809 1.00 0.00 H new ATOM 207 N ILE A 13 2.857 -1.356 3.598 1.00 0.00 N ATOM 208 CA ILE A 13 2.561 -0.025 4.080 1.00 0.00 C ATOM 209 C ILE A 13 3.820 0.801 3.951 1.00 0.00 C ATOM 210 O ILE A 13 3.785 1.961 3.584 1.00 0.00 O ATOM 211 CB ILE A 13 2.097 -0.061 5.549 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.532 1.323 5.924 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.277 -0.435 6.474 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.938 1.714 7.344 1.00 0.00 C ATOM 0 H ILE A 13 2.757 -2.096 4.293 1.00 0.00 H new ATOM 0 HA ILE A 13 1.752 0.411 3.493 1.00 0.00 H new ATOM 0 HB ILE A 13 1.321 -0.816 5.673 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.895 2.071 5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.445 1.310 5.843 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.935 -0.457 7.509 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.659 -1.418 6.197 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.070 0.305 6.369 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.526 2.695 7.583 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.553 0.977 8.049 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.025 1.750 7.415 1.00 0.00 H new ATOM 226 N GLY A 14 4.935 0.147 4.234 1.00 0.00 N ATOM 227 CA GLY A 14 6.224 0.768 4.144 1.00 0.00 C ATOM 228 C GLY A 14 6.516 1.114 2.691 1.00 0.00 C ATOM 229 O GLY A 14 7.098 2.162 2.402 1.00 0.00 O ATOM 0 H GLY A 14 4.960 -0.828 4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.250 1.669 4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.991 0.097 4.531 1.00 0.00 H new ATOM 233 N GLU A 15 6.083 0.232 1.768 1.00 0.00 N ATOM 234 CA GLU A 15 6.291 0.480 0.347 1.00 0.00 C ATOM 235 C GLU A 15 5.393 1.613 -0.133 1.00 0.00 C ATOM 236 O GLU A 15 5.822 2.509 -0.858 1.00 0.00 O ATOM 237 CB GLU A 15 5.894 -0.760 -0.468 1.00 0.00 C ATOM 238 CG GLU A 15 6.873 -1.922 -0.266 1.00 0.00 C ATOM 239 CD GLU A 15 7.615 -2.211 -1.572 1.00 0.00 C ATOM 240 OE1 GLU A 15 8.567 -1.504 -1.861 1.00 0.00 O ATOM 241 OE2 GLU A 15 7.214 -3.128 -2.271 1.00 0.00 O ATOM 0 H GLU A 15 5.598 -0.639 1.985 1.00 0.00 H new ATOM 0 HA GLU A 15 7.343 0.728 0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.892 -1.077 -0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.854 -0.500 -1.526 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.586 -1.675 0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.333 -2.811 0.060 1.00 0.00 H new ATOM 248 N ILE A 16 4.126 1.524 0.259 1.00 0.00 N ATOM 249 CA ILE A 16 3.123 2.494 -0.133 1.00 0.00 C ATOM 250 C ILE A 16 3.307 3.856 0.538 1.00 0.00 C ATOM 251 O ILE A 16 3.112 4.900 -0.085 1.00 0.00 O ATOM 252 CB ILE A 16 1.739 1.884 0.096 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.557 0.825 -0.995 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.603 2.927 0.004 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.394 -0.087 -0.671 1.00 0.00 C ATOM 0 H ILE A 16 3.771 0.777 0.856 1.00 0.00 H new ATOM 0 HA ILE A 16 3.237 2.713 -1.195 1.00 0.00 H new ATOM 0 HB ILE A 16 1.684 1.467 1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.387 1.312 -1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.470 0.237 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.356 2.437 0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.756 3.699 0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.606 3.382 -0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.284 -0.831 -1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.579 -0.590 0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.520 0.502 -0.597 1.00 0.00 H new ATOM 267 N MET A 17 3.678 3.843 1.808 1.00 0.00 N ATOM 268 CA MET A 17 3.889 5.083 2.549 1.00 0.00 C ATOM 269 C MET A 17 5.085 5.850 1.974 1.00 0.00 C ATOM 270 O MET A 17 5.196 7.064 2.155 1.00 0.00 O ATOM 271 CB MET A 17 4.089 4.779 4.042 1.00 0.00 C ATOM 272 CG MET A 17 2.742 4.381 4.671 1.00 0.00 C ATOM 273 SD MET A 17 1.611 5.792 4.716 1.00 0.00 S ATOM 274 CE MET A 17 0.065 4.838 4.683 1.00 0.00 C ATOM 0 H MET A 17 3.840 2.993 2.348 1.00 0.00 H new ATOM 0 HA MET A 17 3.006 5.714 2.447 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.812 3.973 4.166 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.496 5.653 4.551 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.294 3.569 4.099 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.904 4.007 5.682 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.779 5.508 4.847 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.041 4.351 3.714 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.087 4.082 5.468 1.00 0.00 H new ATOM 284 N ARG A 18 5.962 5.130 1.261 1.00 0.00 N ATOM 285 CA ARG A 18 7.137 5.734 0.636 1.00 0.00 C ATOM 286 C ARG A 18 6.718 6.644 -0.516 1.00 0.00 C ATOM 287 O ARG A 18 7.346 7.673 -0.768 1.00 0.00 O ATOM 288 CB ARG A 18 8.058 4.625 0.110 1.00 0.00 C ATOM 289 CG ARG A 18 9.277 5.230 -0.599 1.00 0.00 C ATOM 290 CD ARG A 18 10.126 4.106 -1.195 1.00 0.00 C ATOM 291 NE ARG A 18 11.340 4.652 -1.797 1.00 0.00 N ATOM 292 CZ ARG A 18 11.313 5.253 -2.982 1.00 0.00 C ATOM 293 NH1 ARG A 18 10.934 6.496 -3.074 1.00 0.00 N ATOM 294 NH2 ARG A 18 11.663 4.597 -4.053 1.00 0.00 N ATOM 0 H ARG A 18 5.875 4.126 1.105 1.00 0.00 H new ATOM 0 HA ARG A 18 7.667 6.332 1.378 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.386 3.994 0.936 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.509 3.985 -0.581 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.953 5.912 -1.385 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.869 5.814 0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.388 3.388 -0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.550 3.566 -1.947 1.00 0.00 H new ATOM 0 HE ARG A 18 12.226 4.570 -1.298 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.658 7.008 -2.236 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.913 6.957 -3.984 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.957 3.623 -3.981 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.642 5.058 -4.963 1.00 0.00 H new ATOM 308 N LEU A 19 5.664 6.222 -1.216 1.00 0.00 N ATOM 309 CA LEU A 19 5.135 6.940 -2.370 1.00 0.00 C ATOM 310 C LEU A 19 5.041 8.451 -2.108 1.00 0.00 C ATOM 311 O LEU A 19 4.173 8.909 -1.361 1.00 0.00 O ATOM 312 CB LEU A 19 3.768 6.348 -2.713 1.00 0.00 C ATOM 313 CG LEU A 19 3.909 4.816 -2.836 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.553 4.157 -3.110 1.00 0.00 C ATOM 315 CD2 LEU A 19 4.903 4.495 -3.954 1.00 0.00 C ATOM 0 H LEU A 19 5.153 5.368 -0.995 1.00 0.00 H new ATOM 0 HA LEU A 19 5.814 6.821 -3.214 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.042 6.600 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.397 6.770 -3.647 1.00 0.00 H new ATOM 0 HG LEU A 19 4.280 4.415 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.683 3.078 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.868 4.379 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.142 4.545 -4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.009 3.414 -4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.538 4.907 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.872 4.935 -3.717 1.00 0.00 H new ATOM 327 N PRO A 20 5.950 9.223 -2.685 1.00 0.00 N ATOM 328 CA PRO A 20 6.012 10.704 -2.489 1.00 0.00 C ATOM 329 C PRO A 20 4.942 11.483 -3.255 1.00 0.00 C ATOM 330 O PRO A 20 4.778 12.682 -3.015 1.00 0.00 O ATOM 331 CB PRO A 20 7.398 11.110 -3.020 1.00 0.00 C ATOM 332 CG PRO A 20 8.067 9.870 -3.527 1.00 0.00 C ATOM 333 CD PRO A 20 7.019 8.766 -3.588 1.00 0.00 C ATOM 0 HA PRO A 20 5.840 10.938 -1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.302 11.847 -3.817 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.992 11.570 -2.230 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.496 10.044 -4.514 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.887 9.582 -2.869 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.648 8.626 -4.603 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.430 7.810 -3.264 1.00 0.00 H new ATOM 341 N ASN A 21 4.247 10.837 -4.195 1.00 0.00 N ATOM 342 CA ASN A 21 3.245 11.561 -4.989 1.00 0.00 C ATOM 343 C ASN A 21 1.860 11.463 -4.367 1.00 0.00 C ATOM 344 O ASN A 21 1.278 12.477 -3.979 1.00 0.00 O ATOM 345 CB ASN A 21 3.235 11.047 -6.441 1.00 0.00 C ATOM 346 CG ASN A 21 4.650 11.134 -7.016 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.103 10.177 -7.765 1.00 0.00 O flip ATOM 348 ND2 ASN A 21 5.361 12.110 -6.776 1.00 0.00 N flip ATOM 0 H ASN A 21 4.351 9.848 -4.422 1.00 0.00 H new ATOM 0 HA ASN A 21 3.523 12.615 -4.997 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.880 10.017 -6.472 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.547 11.640 -7.044 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.009 12.865 -6.187 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.302 12.164 -7.166 1.00 0.00 H new ATOM 355 N LEU A 22 1.348 10.243 -4.280 1.00 0.00 N ATOM 356 CA LEU A 22 0.019 9.984 -3.717 1.00 0.00 C ATOM 357 C LEU A 22 -0.289 10.846 -2.508 1.00 0.00 C ATOM 358 O LEU A 22 0.598 11.166 -1.712 1.00 0.00 O ATOM 359 CB LEU A 22 -0.057 8.533 -3.269 1.00 0.00 C ATOM 360 CG LEU A 22 0.103 7.617 -4.472 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.633 6.275 -3.997 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.250 7.426 -5.145 1.00 0.00 C ATOM 0 H LEU A 22 1.836 9.404 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.703 10.215 -4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.723 8.327 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.012 8.343 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 22 0.799 8.056 -5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.752 5.608 -4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.598 6.417 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.070 5.836 -3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.138 6.770 -6.008 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.948 6.979 -4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.633 8.393 -5.472 1.00 0.00 H new ATOM 374 N ASN A 23 -1.572 11.153 -2.338 1.00 0.00 N ATOM 375 CA ASN A 23 -2.006 11.911 -1.179 1.00 0.00 C ATOM 376 C ASN A 23 -2.233 10.911 -0.070 1.00 0.00 C ATOM 377 O ASN A 23 -2.344 9.711 -0.336 1.00 0.00 O ATOM 378 CB ASN A 23 -3.281 12.715 -1.475 1.00 0.00 C ATOM 379 CG ASN A 23 -4.252 11.900 -2.320 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.758 10.876 -1.869 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.538 12.296 -3.530 1.00 0.00 N ATOM 0 H ASN A 23 -2.318 10.890 -2.982 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.251 12.644 -0.894 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.760 13.003 -0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.022 13.636 -1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.184 11.754 -4.105 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.116 13.147 -3.901 1.00 0.00 H new ATOM 388 N SER A 24 -2.274 11.380 1.162 1.00 0.00 N ATOM 389 CA SER A 24 -2.448 10.471 2.279 1.00 0.00 C ATOM 390 C SER A 24 -3.631 9.546 2.065 1.00 0.00 C ATOM 391 O SER A 24 -3.578 8.400 2.446 1.00 0.00 O ATOM 392 CB SER A 24 -2.648 11.236 3.572 1.00 0.00 C ATOM 393 OG SER A 24 -3.776 12.094 3.455 1.00 0.00 O ATOM 0 H SER A 24 -2.191 12.365 1.413 1.00 0.00 H new ATOM 0 HA SER A 24 -1.539 9.873 2.346 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.793 10.540 4.398 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.757 11.821 3.801 1.00 0.00 H new ATOM 0 HG SER A 24 -3.902 12.585 4.294 1.00 0.00 H new ATOM 399 N LEU A 25 -4.691 10.040 1.452 1.00 0.00 N ATOM 400 CA LEU A 25 -5.868 9.216 1.222 1.00 0.00 C ATOM 401 C LEU A 25 -5.545 8.043 0.340 1.00 0.00 C ATOM 402 O LEU A 25 -5.889 6.926 0.678 1.00 0.00 O ATOM 403 CB LEU A 25 -6.948 10.030 0.540 1.00 0.00 C ATOM 404 CG LEU A 25 -7.246 11.315 1.321 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.248 12.426 0.958 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.643 11.773 0.941 1.00 0.00 C ATOM 0 H LEU A 25 -4.764 10.997 1.107 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.211 8.859 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.634 10.281 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.857 9.434 0.453 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.164 11.115 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.483 13.326 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.236 12.099 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.316 12.642 -0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.886 12.688 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.684 11.963 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.363 10.997 1.200 1.00 0.00 H new ATOM 418 N GLN A 26 -4.871 8.299 -0.772 1.00 0.00 N ATOM 419 CA GLN A 26 -4.494 7.235 -1.670 1.00 0.00 C ATOM 420 C GLN A 26 -3.516 6.329 -0.976 1.00 0.00 C ATOM 421 O GLN A 26 -3.643 5.115 -0.999 1.00 0.00 O ATOM 422 CB GLN A 26 -3.857 7.815 -2.896 1.00 0.00 C ATOM 423 CG GLN A 26 -4.953 8.472 -3.732 1.00 0.00 C ATOM 424 CD GLN A 26 -4.381 9.479 -4.711 1.00 0.00 C ATOM 425 OE1 GLN A 26 -3.302 10.035 -4.499 1.00 0.00 O ATOM 426 NE2 GLN A 26 -5.060 9.749 -5.781 1.00 0.00 N ATOM 0 H GLN A 26 -4.579 9.231 -1.066 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.379 6.668 -1.959 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.097 8.547 -2.621 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.356 7.036 -3.470 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.504 7.706 -4.278 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.665 8.968 -3.073 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.952 9.285 -5.949 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.702 10.426 -6.455 1.00 0.00 H new ATOM 435 N VAL A 27 -2.568 6.966 -0.310 1.00 0.00 N ATOM 436 CA VAL A 27 -1.555 6.274 0.450 1.00 0.00 C ATOM 437 C VAL A 27 -2.244 5.391 1.478 1.00 0.00 C ATOM 438 O VAL A 27 -1.887 4.231 1.678 1.00 0.00 O ATOM 439 CB VAL A 27 -0.691 7.349 1.141 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.118 6.780 2.299 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.272 7.975 0.127 1.00 0.00 C ATOM 0 H VAL A 27 -2.484 7.982 -0.285 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.927 5.645 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.373 8.101 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.710 7.574 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.558 6.360 3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.782 5.998 1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.879 8.733 0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.921 7.202 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.298 8.436 -0.680 1.00 0.00 H new ATOM 451 N VAL A 28 -3.257 5.967 2.097 1.00 0.00 N ATOM 452 CA VAL A 28 -4.060 5.268 3.089 1.00 0.00 C ATOM 453 C VAL A 28 -4.966 4.246 2.439 1.00 0.00 C ATOM 454 O VAL A 28 -5.232 3.180 2.991 1.00 0.00 O ATOM 455 CB VAL A 28 -4.820 6.238 3.970 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.610 5.438 5.010 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.784 7.109 4.685 1.00 0.00 C ATOM 0 H VAL A 28 -3.548 6.930 1.929 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.383 4.719 3.743 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.506 6.852 3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.163 6.123 5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.308 4.772 4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.921 4.849 5.616 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.293 7.823 5.332 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.130 6.477 5.286 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.190 7.647 3.947 1.00 0.00 H new ATOM 467 N ALA A 29 -5.435 4.602 1.257 1.00 0.00 N ATOM 468 CA ALA A 29 -6.312 3.756 0.481 1.00 0.00 C ATOM 469 C ALA A 29 -5.651 2.426 0.320 1.00 0.00 C ATOM 470 O ALA A 29 -6.286 1.372 0.361 1.00 0.00 O ATOM 471 CB ALA A 29 -6.473 4.369 -0.894 1.00 0.00 C ATOM 0 H ALA A 29 -5.215 5.492 0.809 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.280 3.653 0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.133 3.744 -1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.904 5.366 -0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.499 4.439 -1.378 1.00 0.00 H new ATOM 477 N PHE A 30 -4.347 2.506 0.164 1.00 0.00 N ATOM 478 CA PHE A 30 -3.551 1.357 0.028 1.00 0.00 C ATOM 479 C PHE A 30 -3.450 0.650 1.340 1.00 0.00 C ATOM 480 O PHE A 30 -3.517 -0.571 1.362 1.00 0.00 O ATOM 481 CB PHE A 30 -2.196 1.763 -0.452 1.00 0.00 C ATOM 482 CG PHE A 30 -2.270 1.929 -1.931 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.442 0.813 -2.744 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.204 3.198 -2.481 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.559 0.974 -4.117 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.318 3.369 -3.839 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.506 2.255 -4.675 1.00 0.00 C ATOM 0 H PHE A 30 -3.830 3.384 0.131 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.002 0.676 -0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.885 2.694 0.022 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.455 1.008 -0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.484 -0.174 -2.308 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.062 4.056 -1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.691 0.112 -4.754 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.263 4.360 -4.265 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.609 2.388 -5.742 1.00 0.00 H new ATOM 497 N ILE A 31 -3.340 1.412 2.447 1.00 0.00 N ATOM 498 CA ILE A 31 -3.282 0.752 3.748 1.00 0.00 C ATOM 499 C ILE A 31 -4.534 -0.099 3.857 1.00 0.00 C ATOM 500 O ILE A 31 -4.517 -1.223 4.362 1.00 0.00 O ATOM 501 CB ILE A 31 -3.318 1.740 4.926 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.168 2.734 4.858 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.209 0.972 6.253 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.376 3.782 5.961 1.00 0.00 C ATOM 0 H ILE A 31 -3.292 2.431 2.463 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.349 0.191 3.804 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.262 2.283 4.868 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.215 2.223 4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.136 3.213 3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.235 1.677 7.084 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.044 0.277 6.341 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.271 0.418 6.276 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.562 4.507 5.932 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.325 4.295 5.802 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.389 3.289 6.933 1.00 0.00 H new ATOM 516 N ASN A 32 -5.621 0.486 3.357 1.00 0.00 N ATOM 517 CA ASN A 32 -6.918 -0.157 3.366 1.00 0.00 C ATOM 518 C ASN A 32 -6.971 -1.354 2.423 1.00 0.00 C ATOM 519 O ASN A 32 -7.599 -2.362 2.738 1.00 0.00 O ATOM 520 CB ASN A 32 -7.974 0.876 2.977 1.00 0.00 C ATOM 521 CG ASN A 32 -8.404 1.672 4.205 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.538 1.547 4.665 1.00 0.00 O ATOM 523 ND2 ASN A 32 -7.556 2.490 4.767 1.00 0.00 N ATOM 0 H ASN A 32 -5.620 1.416 2.937 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.112 -0.539 4.368 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.574 1.549 2.219 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.837 0.377 2.536 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.833 3.027 5.589 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -6.616 2.592 4.384 1.00 0.00 H new ATOM 530 N SER A 33 -6.319 -1.250 1.270 1.00 0.00 N ATOM 531 CA SER A 33 -6.321 -2.343 0.317 1.00 0.00 C ATOM 532 C SER A 33 -5.609 -3.567 0.890 1.00 0.00 C ATOM 533 O SER A 33 -5.988 -4.703 0.606 1.00 0.00 O ATOM 534 CB SER A 33 -5.647 -1.901 -0.971 1.00 0.00 C ATOM 535 OG SER A 33 -6.232 -0.687 -1.423 1.00 0.00 O ATOM 0 H SER A 33 -5.789 -0.428 0.979 1.00 0.00 H new ATOM 0 HA SER A 33 -7.354 -2.619 0.108 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.579 -1.762 -0.805 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.753 -2.673 -1.733 1.00 0.00 H new ATOM 0 HG SER A 33 -6.059 0.023 -0.770 1.00 0.00 H new ATOM 541 N LEU A 34 -4.559 -3.323 1.686 1.00 0.00 N ATOM 542 CA LEU A 34 -3.784 -4.435 2.282 1.00 0.00 C ATOM 543 C LEU A 34 -4.686 -5.328 3.137 1.00 0.00 C ATOM 544 O LEU A 34 -4.639 -6.547 3.030 1.00 0.00 O ATOM 545 CB LEU A 34 -2.635 -3.945 3.190 1.00 0.00 C ATOM 546 CG LEU A 34 -1.950 -2.681 2.654 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.672 -2.398 3.448 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.585 -2.843 1.181 1.00 0.00 C ATOM 0 H LEU A 34 -4.227 -2.390 1.932 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.366 -4.985 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.027 -3.745 4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.895 -4.739 3.291 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.649 -1.851 2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.194 -1.499 3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.922 -2.251 4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.011 -3.242 3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.101 -1.934 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.904 -3.686 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.489 -3.025 0.600 1.00 0.00 H new ATOM 560 N ARG A 35 -5.508 -4.709 3.982 1.00 0.00 N ATOM 561 CA ARG A 35 -6.426 -5.468 4.840 1.00 0.00 C ATOM 562 C ARG A 35 -7.552 -6.057 4.015 1.00 0.00 C ATOM 563 O ARG A 35 -8.007 -7.174 4.272 1.00 0.00 O ATOM 564 CB ARG A 35 -6.986 -4.601 5.970 1.00 0.00 C ATOM 565 CG ARG A 35 -7.581 -3.299 5.421 1.00 0.00 C ATOM 566 CD ARG A 35 -8.007 -2.391 6.581 1.00 0.00 C ATOM 567 NE ARG A 35 -8.713 -1.215 6.077 1.00 0.00 N ATOM 568 CZ ARG A 35 -9.890 -1.322 5.466 1.00 0.00 C ATOM 569 NH1 ARG A 35 -10.983 -1.398 6.167 1.00 0.00 N ATOM 570 NH2 ARG A 35 -9.946 -1.350 4.167 1.00 0.00 N ATOM 0 H ARG A 35 -5.560 -3.696 4.093 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.860 -6.280 5.297 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.752 -5.155 6.512 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.194 -4.371 6.683 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.847 -2.788 4.798 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.439 -3.520 4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.651 -2.943 7.266 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.130 -2.080 7.149 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.295 -0.292 6.196 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.938 -1.376 7.186 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.885 -1.480 5.698 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.088 -1.290 3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.848 -1.432 3.697 1.00 0.00 H new ATOM 584 N ASP A 36 -7.963 -5.310 2.995 1.00 0.00 N ATOM 585 CA ASP A 36 -8.999 -5.764 2.090 1.00 0.00 C ATOM 586 C ASP A 36 -8.472 -6.967 1.326 1.00 0.00 C ATOM 587 O ASP A 36 -9.240 -7.763 0.782 1.00 0.00 O ATOM 588 CB ASP A 36 -9.380 -4.633 1.117 1.00 0.00 C ATOM 589 CG ASP A 36 -10.079 -3.478 1.850 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.669 -3.715 2.895 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.011 -2.366 1.352 1.00 0.00 O ATOM 0 H ASP A 36 -7.590 -4.386 2.779 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.892 -6.045 2.649 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.484 -4.262 0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.037 -5.024 0.340 1.00 0.00 H new ATOM 596 N ASP A 37 -7.137 -7.081 1.302 1.00 0.00 N ATOM 597 CA ASP A 37 -6.471 -8.177 0.608 1.00 0.00 C ATOM 598 C ASP A 37 -4.960 -8.171 0.891 1.00 0.00 C ATOM 599 O ASP A 37 -4.204 -7.455 0.227 1.00 0.00 O ATOM 600 CB ASP A 37 -6.712 -8.048 -0.902 1.00 0.00 C ATOM 601 CG ASP A 37 -6.431 -9.380 -1.609 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.451 -10.026 -1.265 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.199 -9.733 -2.487 1.00 0.00 O ATOM 0 H ASP A 37 -6.502 -6.425 1.757 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.885 -9.118 0.971 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.742 -7.742 -1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.070 -7.269 -1.313 1.00 0.00 H new ATOM 608 N PRO A 38 -4.503 -8.952 1.852 1.00 0.00 N ATOM 609 CA PRO A 38 -3.054 -9.024 2.198 1.00 0.00 C ATOM 610 C PRO A 38 -2.246 -9.707 1.101 1.00 0.00 C ATOM 611 O PRO A 38 -1.088 -9.368 0.867 1.00 0.00 O ATOM 612 CB PRO A 38 -2.987 -9.823 3.502 1.00 0.00 C ATOM 613 CG PRO A 38 -4.388 -10.168 3.878 1.00 0.00 C ATOM 614 CD PRO A 38 -5.304 -9.843 2.698 1.00 0.00 C ATOM 0 HA PRO A 38 -2.624 -8.028 2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.390 -10.726 3.370 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.510 -9.238 4.288 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.462 -11.225 4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.693 -9.604 4.760 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.596 -10.745 2.161 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.222 -9.358 3.029 1.00 0.00 H new ATOM 622 N SER A 39 -2.881 -10.663 0.423 1.00 0.00 N ATOM 623 CA SER A 39 -2.234 -11.389 -0.662 1.00 0.00 C ATOM 624 C SER A 39 -1.887 -10.421 -1.779 1.00 0.00 C ATOM 625 O SER A 39 -0.902 -10.605 -2.495 1.00 0.00 O ATOM 626 CB SER A 39 -3.162 -12.485 -1.196 1.00 0.00 C ATOM 627 OG SER A 39 -3.637 -13.268 -0.109 1.00 0.00 O ATOM 0 H SER A 39 -3.842 -10.950 0.608 1.00 0.00 H new ATOM 0 HA SER A 39 -1.324 -11.855 -0.286 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.000 -12.039 -1.732 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.628 -13.115 -1.907 1.00 0.00 H new ATOM 0 HG SER A 39 -4.232 -13.969 -0.447 1.00 0.00 H new ATOM 633 N GLN A 40 -2.715 -9.384 -1.912 1.00 0.00 N ATOM 634 CA GLN A 40 -2.508 -8.376 -2.934 1.00 0.00 C ATOM 635 C GLN A 40 -1.725 -7.187 -2.393 1.00 0.00 C ATOM 636 O GLN A 40 -1.505 -6.224 -3.114 1.00 0.00 O ATOM 637 CB GLN A 40 -3.856 -7.906 -3.499 1.00 0.00 C ATOM 638 CG GLN A 40 -4.545 -9.067 -4.228 1.00 0.00 C ATOM 639 CD GLN A 40 -3.759 -9.454 -5.478 1.00 0.00 C ATOM 640 OE1 GLN A 40 -3.633 -8.656 -6.406 1.00 0.00 O ATOM 641 NE2 GLN A 40 -3.214 -10.636 -5.555 1.00 0.00 N ATOM 0 H GLN A 40 -3.532 -9.227 -1.322 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.922 -8.829 -3.734 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.492 -7.542 -2.692 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.703 -7.073 -4.185 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.626 -9.926 -3.562 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.560 -8.780 -4.503 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.319 -11.297 -4.785 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.683 -10.900 -6.385 1.00 0.00 H new ATOM 650 N SER A 41 -1.270 -7.267 -1.137 1.00 0.00 N ATOM 651 CA SER A 41 -0.481 -6.182 -0.550 1.00 0.00 C ATOM 652 C SER A 41 0.706 -5.915 -1.451 1.00 0.00 C ATOM 653 O SER A 41 1.130 -4.780 -1.611 1.00 0.00 O ATOM 654 CB SER A 41 -0.015 -6.549 0.865 1.00 0.00 C ATOM 655 OG SER A 41 -1.137 -6.577 1.731 1.00 0.00 O ATOM 0 H SER A 41 -1.432 -8.060 -0.517 1.00 0.00 H new ATOM 0 HA SER A 41 -1.094 -5.284 -0.468 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.479 -7.521 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.716 -5.823 1.220 1.00 0.00 H new ATOM 0 HG SER A 41 -0.846 -6.813 2.636 1.00 0.00 H new ATOM 661 N ALA A 42 1.198 -6.994 -2.060 1.00 0.00 N ATOM 662 CA ALA A 42 2.314 -6.935 -2.989 1.00 0.00 C ATOM 663 C ALA A 42 1.902 -6.254 -4.300 1.00 0.00 C ATOM 664 O ALA A 42 2.680 -5.535 -4.922 1.00 0.00 O ATOM 665 CB ALA A 42 2.783 -8.352 -3.291 1.00 0.00 C ATOM 0 H ALA A 42 0.829 -7.934 -1.919 1.00 0.00 H new ATOM 0 HA ALA A 42 3.116 -6.355 -2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.621 -8.317 -3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.100 -8.835 -2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.965 -8.919 -3.735 1.00 0.00 H new ATOM 671 N ASN A 43 0.665 -6.494 -4.707 1.00 0.00 N ATOM 672 CA ASN A 43 0.112 -5.905 -5.912 1.00 0.00 C ATOM 673 C ASN A 43 -0.184 -4.449 -5.687 1.00 0.00 C ATOM 674 O ASN A 43 -0.171 -3.629 -6.595 1.00 0.00 O ATOM 675 CB ASN A 43 -1.210 -6.565 -6.187 1.00 0.00 C ATOM 676 CG ASN A 43 -1.673 -6.324 -7.621 1.00 0.00 C ATOM 677 OD1 ASN A 43 -0.862 -6.104 -8.522 1.00 0.00 O ATOM 678 ND2 ASN A 43 -2.945 -6.354 -7.882 1.00 0.00 N ATOM 0 H ASN A 43 0.017 -7.104 -4.209 1.00 0.00 H new ATOM 0 HA ASN A 43 0.824 -6.032 -6.728 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.126 -7.637 -6.007 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.959 -6.183 -5.494 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.274 -6.195 -8.834 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.615 -6.536 -7.135 1.00 0.00 H new ATOM 685 N LEU A 44 -0.578 -4.188 -4.463 1.00 0.00 N ATOM 686 CA LEU A 44 -1.019 -2.880 -4.070 1.00 0.00 C ATOM 687 C LEU A 44 0.065 -1.849 -4.157 1.00 0.00 C ATOM 688 O LEU A 44 -0.192 -0.773 -4.663 1.00 0.00 O ATOM 689 CB LEU A 44 -1.652 -2.979 -2.700 1.00 0.00 C ATOM 690 CG LEU A 44 -2.982 -3.721 -2.891 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.494 -4.310 -1.579 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.000 -2.752 -3.471 1.00 0.00 C ATOM 0 H LEU A 44 -0.600 -4.880 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.771 -2.525 -4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.002 -3.517 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.817 -1.989 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.825 -4.555 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.437 -4.827 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.762 -5.015 -1.186 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.649 -3.509 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.951 -3.265 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.137 -1.915 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.642 -2.380 -4.431 1.00 0.00 H new ATOM 704 N LEU A 45 1.289 -2.170 -3.757 1.00 0.00 N ATOM 705 CA LEU A 45 2.351 -1.174 -3.951 1.00 0.00 C ATOM 706 C LEU A 45 2.560 -1.097 -5.440 1.00 0.00 C ATOM 707 O LEU A 45 2.906 -0.071 -5.971 1.00 0.00 O ATOM 708 CB LEU A 45 3.735 -1.390 -3.282 1.00 0.00 C ATOM 709 CG LEU A 45 3.799 -2.566 -2.328 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.725 -2.446 -1.256 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.667 -3.843 -3.137 1.00 0.00 C ATOM 0 H LEU A 45 1.567 -3.050 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 45 1.990 -0.275 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.483 -1.531 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.007 -0.484 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 45 4.754 -2.581 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.788 -3.300 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.875 -1.526 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.742 -2.427 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.711 -4.703 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.714 -3.842 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.482 -3.902 -3.859 1.00 0.00 H new ATOM 723 N ALA A 46 2.338 -2.227 -6.106 1.00 0.00 N ATOM 724 CA ALA A 46 2.492 -2.290 -7.552 1.00 0.00 C ATOM 725 C ALA A 46 1.530 -1.293 -8.164 1.00 0.00 C ATOM 726 O ALA A 46 1.875 -0.538 -9.069 1.00 0.00 O ATOM 727 CB ALA A 46 2.133 -3.685 -8.055 1.00 0.00 C ATOM 0 H ALA A 46 2.053 -3.104 -5.670 1.00 0.00 H new ATOM 0 HA ALA A 46 3.523 -2.065 -7.826 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.251 -3.723 -9.138 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.792 -4.419 -7.592 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.099 -3.911 -7.795 1.00 0.00 H new ATOM 733 N GLU A 47 0.331 -1.292 -7.595 1.00 0.00 N ATOM 734 CA GLU A 47 -0.726 -0.395 -7.984 1.00 0.00 C ATOM 735 C GLU A 47 -0.357 1.007 -7.554 1.00 0.00 C ATOM 736 O GLU A 47 -0.405 1.949 -8.322 1.00 0.00 O ATOM 737 CB GLU A 47 -1.981 -0.826 -7.227 1.00 0.00 C ATOM 738 CG GLU A 47 -2.825 -1.776 -8.074 1.00 0.00 C ATOM 739 CD GLU A 47 -3.661 -2.680 -7.167 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.132 -3.681 -6.709 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.815 -2.354 -6.936 1.00 0.00 O ATOM 0 H GLU A 47 0.072 -1.927 -6.840 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.887 -0.418 -9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.699 -1.316 -6.295 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.570 0.052 -6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.478 -1.205 -8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.179 -2.382 -8.710 1.00 0.00 H new ATOM 748 N ALA A 48 0.012 1.090 -6.292 1.00 0.00 N ATOM 749 CA ALA A 48 0.397 2.337 -5.652 1.00 0.00 C ATOM 750 C ALA A 48 1.556 2.986 -6.370 1.00 0.00 C ATOM 751 O ALA A 48 1.517 4.168 -6.681 1.00 0.00 O ATOM 752 CB ALA A 48 0.786 2.050 -4.215 1.00 0.00 C ATOM 0 H ALA A 48 0.054 0.282 -5.671 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.448 3.024 -5.688 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.077 2.979 -3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.062 1.612 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.623 1.352 -4.197 1.00 0.00 H new ATOM 758 N LYS A 49 2.568 2.193 -6.660 1.00 0.00 N ATOM 759 CA LYS A 49 3.718 2.685 -7.393 1.00 0.00 C ATOM 760 C LYS A 49 3.232 3.152 -8.758 1.00 0.00 C ATOM 761 O LYS A 49 3.707 4.154 -9.287 1.00 0.00 O ATOM 762 CB LYS A 49 4.785 1.585 -7.521 1.00 0.00 C ATOM 763 CG LYS A 49 5.447 1.352 -6.148 1.00 0.00 C ATOM 764 CD LYS A 49 6.408 0.155 -6.216 1.00 0.00 C ATOM 765 CE LYS A 49 6.907 -0.191 -4.805 1.00 0.00 C ATOM 766 NZ LYS A 49 7.798 -1.384 -4.868 1.00 0.00 N ATOM 0 H LYS A 49 2.618 1.208 -6.400 1.00 0.00 H new ATOM 0 HA LYS A 49 4.184 3.517 -6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.330 0.662 -7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.537 1.876 -8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.990 2.246 -5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.681 1.170 -5.394 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.902 -0.705 -6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.253 0.391 -6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.446 0.656 -4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.061 -0.391 -4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.318 -1.476 -3.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.225 -2.237 -5.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.473 -1.272 -5.651 1.00 0.00 H new ATOM 780 N LYS A 50 2.228 2.436 -9.294 1.00 0.00 N ATOM 781 CA LYS A 50 1.632 2.807 -10.569 1.00 0.00 C ATOM 782 C LYS A 50 0.841 4.098 -10.389 1.00 0.00 C ATOM 783 O LYS A 50 0.854 4.960 -11.250 1.00 0.00 O ATOM 784 CB LYS A 50 0.700 1.691 -11.071 1.00 0.00 C ATOM 785 CG LYS A 50 0.671 1.672 -12.606 1.00 0.00 C ATOM 786 CD LYS A 50 1.816 0.794 -13.143 1.00 0.00 C ATOM 787 CE LYS A 50 1.508 -0.692 -12.895 1.00 0.00 C ATOM 788 NZ LYS A 50 2.360 -1.528 -13.787 1.00 0.00 N ATOM 0 H LYS A 50 1.822 1.606 -8.861 1.00 0.00 H new ATOM 0 HA LYS A 50 2.421 2.955 -11.306 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.041 0.726 -10.695 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.307 1.847 -10.683 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.287 1.288 -12.955 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.768 2.687 -12.992 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.950 0.972 -14.210 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.752 1.065 -12.654 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.696 -0.945 -11.852 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.454 -0.894 -13.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.154 -2.534 -13.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.159 -1.292 -14.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.363 -1.342 -13.583 1.00 0.00 H new ATOM 802 N LEU A 51 0.165 4.202 -9.240 1.00 0.00 N ATOM 803 CA LEU A 51 -0.643 5.368 -8.891 1.00 0.00 C ATOM 804 C LEU A 51 0.248 6.577 -8.684 1.00 0.00 C ATOM 805 O LEU A 51 -0.038 7.681 -9.145 1.00 0.00 O ATOM 806 CB LEU A 51 -1.342 5.109 -7.555 1.00 0.00 C ATOM 807 CG LEU A 51 -2.757 4.534 -7.693 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.726 5.643 -8.133 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.780 3.332 -8.663 1.00 0.00 C ATOM 0 H LEU A 51 0.165 3.475 -8.525 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.357 5.545 -9.696 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.736 4.419 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.393 6.044 -6.996 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.083 4.159 -6.723 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.730 5.231 -8.230 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.731 6.439 -7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.405 6.047 -9.093 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.796 2.946 -8.740 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.438 3.652 -9.647 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.122 2.549 -8.287 1.00 0.00 H new ATOM 821 N ASN A 52 1.324 6.327 -7.954 1.00 0.00 N ATOM 822 CA ASN A 52 2.295 7.339 -7.616 1.00 0.00 C ATOM 823 C ASN A 52 2.888 7.900 -8.886 1.00 0.00 C ATOM 824 O ASN A 52 2.965 9.115 -9.081 1.00 0.00 O ATOM 825 CB ASN A 52 3.381 6.672 -6.755 1.00 0.00 C ATOM 826 CG ASN A 52 4.399 7.682 -6.248 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.128 8.417 -5.303 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.568 7.749 -6.819 1.00 0.00 N ATOM 0 H ASN A 52 1.544 5.404 -7.579 1.00 0.00 H new ATOM 0 HA ASN A 52 1.838 8.159 -7.062 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.915 6.169 -5.908 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.889 5.906 -7.340 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.263 8.415 -6.481 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.788 7.136 -7.604 1.00 0.00 H new ATOM 835 N ASP A 53 3.281 6.983 -9.749 1.00 0.00 N ATOM 836 CA ASP A 53 3.855 7.321 -11.023 1.00 0.00 C ATOM 837 C ASP A 53 2.812 7.886 -11.987 1.00 0.00 C ATOM 838 O ASP A 53 3.113 8.768 -12.794 1.00 0.00 O ATOM 839 CB ASP A 53 4.493 6.066 -11.634 1.00 0.00 C ATOM 840 CG ASP A 53 5.659 5.550 -10.771 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.132 6.283 -9.911 1.00 0.00 O ATOM 842 OD2 ASP A 53 6.059 4.418 -10.983 1.00 0.00 O ATOM 0 H ASP A 53 3.208 5.980 -9.579 1.00 0.00 H new ATOM 0 HA ASP A 53 4.607 8.093 -10.862 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.739 5.285 -11.734 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.853 6.291 -12.638 1.00 0.00 H new ATOM 847 N ALA A 54 1.602 7.324 -11.931 1.00 0.00 N ATOM 848 CA ALA A 54 0.526 7.721 -12.842 1.00 0.00 C ATOM 849 C ALA A 54 -0.076 9.075 -12.531 1.00 0.00 C ATOM 850 O ALA A 54 -0.411 9.830 -13.448 1.00 0.00 O ATOM 851 CB ALA A 54 -0.599 6.709 -12.740 1.00 0.00 C ATOM 0 H ALA A 54 1.343 6.595 -11.266 1.00 0.00 H new ATOM 0 HA ALA A 54 0.975 7.770 -13.834 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.407 6.994 -13.414 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.227 5.722 -13.016 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.973 6.683 -11.716 1.00 0.00 H new ATOM 857 N GLN A 55 -0.252 9.371 -11.251 1.00 0.00 N ATOM 858 CA GLN A 55 -0.863 10.625 -10.870 1.00 0.00 C ATOM 859 C GLN A 55 0.160 11.723 -10.819 1.00 0.00 C ATOM 860 O GLN A 55 -0.077 12.834 -11.297 1.00 0.00 O ATOM 861 CB GLN A 55 -1.466 10.476 -9.492 1.00 0.00 C ATOM 862 CG GLN A 55 -2.615 9.473 -9.512 1.00 0.00 C ATOM 863 CD GLN A 55 -3.130 9.297 -8.096 1.00 0.00 C ATOM 864 OE1 GLN A 55 -4.046 8.515 -7.863 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.600 10.000 -7.128 1.00 0.00 N ATOM 0 H GLN A 55 0.016 8.767 -10.474 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.625 10.878 -11.607 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.701 10.147 -8.789 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.827 11.443 -9.141 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.414 9.826 -10.164 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.276 8.518 -9.913 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.839 10.649 -7.327 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.948 9.899 -6.175 1.00 0.00 H new ATOM 874 N ALA A 56 1.283 11.393 -10.192 1.00 0.00 N ATOM 875 CA ALA A 56 2.368 12.351 -9.998 1.00 0.00 C ATOM 876 C ALA A 56 1.793 13.738 -9.634 1.00 0.00 C ATOM 877 O ALA A 56 2.157 14.744 -10.247 1.00 0.00 O ATOM 878 CB ALA A 56 3.221 12.431 -11.268 1.00 0.00 C ATOM 0 H ALA A 56 1.468 10.466 -9.808 1.00 0.00 H new ATOM 0 HA ALA A 56 3.001 12.018 -9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.029 13.147 -11.119 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.641 11.449 -11.486 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.600 12.754 -12.104 1.00 0.00 H new