USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=16 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 Set 1.1: A 44 ASN : amide:sc= -3.31 K(o=-6.3,f=-18!) USER MOD Set 1.2: A 54 GLN : amide:sc= -2.97 K(o=-6.3,f=-9.8!) 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= -0.044 X(o=-0.044,f=-0.44) USER MOD Single : A 19 ASN : amide:sc=-0.00711 X(o=-0.0071,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.24) USER MOD Single : A 22 MET CE :methyl 176:sc= -4.62! (180deg=-4.7!) 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 -139:sc= -0.672 (180deg=-4.38!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 32 MET CE :methyl 140:sc= -0.542 (180deg=-0.765) USER MOD Single : A 34 TYR OH : rot -111:sc= 0.343 USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 100:sc= -1.45! USER MOD Single : A 57 GLN : amide:sc= -0.285 K(o=-0.29,f=-2.6!) USER MOD Single : A 58 MET CE :methyl -147:sc= 0 (180deg=-1.52!) USER MOD Single : A 59 ASN : amide:sc= -0.0483 X(o=-0.048,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -170:sc= -0.0368 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.461 12.216 -2.600 1.00 0.00 N ATOM 2 CA GLY A 1 21.513 13.115 -3.235 1.00 0.00 C ATOM 3 C GLY A 1 22.184 13.922 -4.349 1.00 0.00 C ATOM 4 O GLY A 1 22.427 15.118 -4.195 1.00 0.00 O ATOM 0 H1 GLY A 1 21.982 11.680 -1.848 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.841 11.555 -3.308 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.241 12.768 -2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.682 12.542 -3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.095 13.793 -2.491 1.00 0.00 H new ATOM 8 N SER A 2 22.463 13.235 -5.447 1.00 0.00 N ATOM 9 CA SER A 2 23.101 13.872 -6.586 1.00 0.00 C ATOM 10 C SER A 2 22.041 14.479 -7.508 1.00 0.00 C ATOM 11 O SER A 2 22.050 15.682 -7.762 1.00 0.00 O ATOM 12 CB SER A 2 23.969 12.877 -7.359 1.00 0.00 C ATOM 13 OG SER A 2 25.209 12.627 -6.702 1.00 0.00 O ATOM 0 H SER A 2 22.259 12.243 -5.572 1.00 0.00 H new ATOM 0 HA SER A 2 23.749 14.666 -6.215 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.427 11.939 -7.478 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.161 13.264 -8.360 1.00 0.00 H new ATOM 0 HG SER A 2 25.733 11.986 -7.226 1.00 0.00 H new ATOM 19 N SER A 3 21.153 13.618 -7.982 1.00 0.00 N ATOM 20 CA SER A 3 20.088 14.054 -8.870 1.00 0.00 C ATOM 21 C SER A 3 18.768 13.393 -8.469 1.00 0.00 C ATOM 22 O SER A 3 18.682 12.168 -8.393 1.00 0.00 O ATOM 23 CB SER A 3 20.421 13.734 -10.328 1.00 0.00 C ATOM 24 OG SER A 3 21.229 14.744 -10.926 1.00 0.00 O ATOM 0 H SER A 3 21.149 12.621 -7.768 1.00 0.00 H new ATOM 0 HA SER A 3 19.987 15.135 -8.778 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.940 12.777 -10.379 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.497 13.626 -10.896 1.00 0.00 H new ATOM 0 HG SER A 3 21.421 14.501 -11.856 1.00 0.00 H new ATOM 30 N GLY A 4 17.773 14.232 -8.223 1.00 0.00 N ATOM 31 CA GLY A 4 16.462 13.744 -7.832 1.00 0.00 C ATOM 32 C GLY A 4 15.868 14.603 -6.713 1.00 0.00 C ATOM 33 O GLY A 4 16.401 15.663 -6.391 1.00 0.00 O ATOM 0 H GLY A 4 17.848 15.247 -8.287 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.795 13.752 -8.694 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.540 12.709 -7.499 1.00 0.00 H new ATOM 37 N SER A 5 14.772 14.112 -6.152 1.00 0.00 N ATOM 38 CA SER A 5 14.101 14.822 -5.077 1.00 0.00 C ATOM 39 C SER A 5 13.586 13.827 -4.034 1.00 0.00 C ATOM 40 O SER A 5 12.576 13.160 -4.253 1.00 0.00 O ATOM 41 CB SER A 5 12.947 15.671 -5.613 1.00 0.00 C ATOM 42 OG SER A 5 13.113 17.053 -5.304 1.00 0.00 O ATOM 0 H SER A 5 14.333 13.232 -6.422 1.00 0.00 H new ATOM 0 HA SER A 5 14.822 15.491 -4.608 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.877 15.547 -6.694 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.008 15.315 -5.190 1.00 0.00 H new ATOM 0 HG SER A 5 12.357 17.562 -5.664 1.00 0.00 H new ATOM 48 N SER A 6 14.306 13.757 -2.924 1.00 0.00 N ATOM 49 CA SER A 6 13.935 12.855 -1.847 1.00 0.00 C ATOM 50 C SER A 6 14.349 13.449 -0.500 1.00 0.00 C ATOM 51 O SER A 6 15.498 13.308 -0.082 1.00 0.00 O ATOM 52 CB SER A 6 14.573 11.477 -2.039 1.00 0.00 C ATOM 53 OG SER A 6 13.711 10.426 -1.612 1.00 0.00 O ATOM 0 H SER A 6 15.144 14.310 -2.747 1.00 0.00 H new ATOM 0 HA SER A 6 12.852 12.730 -1.863 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.823 11.336 -3.091 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.508 11.429 -1.480 1.00 0.00 H new ATOM 0 HG SER A 6 14.153 9.563 -1.752 1.00 0.00 H new ATOM 59 N GLY A 7 13.392 14.101 0.143 1.00 0.00 N ATOM 60 CA GLY A 7 13.643 14.717 1.435 1.00 0.00 C ATOM 61 C GLY A 7 12.333 14.996 2.174 1.00 0.00 C ATOM 62 O GLY A 7 11.670 14.071 2.641 1.00 0.00 O ATOM 0 H GLY A 7 12.441 14.216 -0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.272 14.062 2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.192 15.648 1.297 1.00 0.00 H new ATOM 66 N ARG A 8 11.998 16.275 2.256 1.00 0.00 N ATOM 67 CA ARG A 8 10.779 16.688 2.930 1.00 0.00 C ATOM 68 C ARG A 8 9.585 15.888 2.405 1.00 0.00 C ATOM 69 O ARG A 8 9.565 15.489 1.242 1.00 0.00 O ATOM 70 CB ARG A 8 10.514 18.181 2.724 1.00 0.00 C ATOM 71 CG ARG A 8 10.534 18.541 1.238 1.00 0.00 C ATOM 72 CD ARG A 8 9.641 19.751 0.955 1.00 0.00 C ATOM 73 NE ARG A 8 10.394 20.768 0.187 1.00 0.00 N ATOM 74 CZ ARG A 8 9.976 22.026 -0.005 1.00 0.00 C ATOM 75 NH1 ARG A 8 8.808 22.431 0.514 1.00 0.00 N ATOM 76 NH2 ARG A 8 10.725 22.880 -0.716 1.00 0.00 N ATOM 0 H ARG A 8 12.550 17.039 1.867 1.00 0.00 H new ATOM 0 HA ARG A 8 10.909 16.497 3.995 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.547 18.445 3.153 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.267 18.764 3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.556 18.758 0.926 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.195 17.689 0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.759 19.440 0.395 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.288 20.180 1.893 1.00 0.00 H new ATOM 0 HE ARG A 8 11.287 20.494 -0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.238 21.781 1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.490 23.389 0.368 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.614 22.572 -1.111 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.407 23.838 -0.862 1.00 0.00 H new ATOM 90 N PRO A 9 8.594 15.672 3.311 1.00 0.00 N ATOM 91 CA PRO A 9 7.400 14.927 2.951 1.00 0.00 C ATOM 92 C PRO A 9 6.468 15.773 2.081 1.00 0.00 C ATOM 93 O PRO A 9 6.010 16.834 2.503 1.00 0.00 O ATOM 94 CB PRO A 9 6.773 14.525 4.275 1.00 0.00 C ATOM 95 CG PRO A 9 7.378 15.448 5.321 1.00 0.00 C ATOM 96 CD PRO A 9 8.584 16.131 4.697 1.00 0.00 C ATOM 0 HA PRO A 9 7.620 14.047 2.346 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.689 14.631 4.241 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.985 13.481 4.506 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.646 16.187 5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.674 14.882 6.204 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.498 17.216 4.754 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.505 15.857 5.212 1.00 0.00 H new ATOM 104 N ALA A 10 6.214 15.271 0.881 1.00 0.00 N ATOM 105 CA ALA A 10 5.344 15.967 -0.052 1.00 0.00 C ATOM 106 C ALA A 10 4.472 14.948 -0.788 1.00 0.00 C ATOM 107 O ALA A 10 3.255 14.926 -0.614 1.00 0.00 O ATOM 108 CB ALA A 10 6.191 16.808 -1.009 1.00 0.00 C ATOM 0 H ALA A 10 6.595 14.391 0.534 1.00 0.00 H new ATOM 0 HA ALA A 10 4.678 16.647 0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.539 17.330 -1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.769 17.536 -0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.870 16.158 -1.561 1.00 0.00 H new ATOM 114 N ARG A 11 5.130 14.127 -1.595 1.00 0.00 N ATOM 115 CA ARG A 11 4.430 13.108 -2.357 1.00 0.00 C ATOM 116 C ARG A 11 3.533 12.278 -1.436 1.00 0.00 C ATOM 117 O ARG A 11 3.751 12.235 -0.226 1.00 0.00 O ATOM 118 CB ARG A 11 5.415 12.180 -3.070 1.00 0.00 C ATOM 119 CG ARG A 11 5.906 12.802 -4.379 1.00 0.00 C ATOM 120 CD ARG A 11 5.796 11.807 -5.535 1.00 0.00 C ATOM 121 NE ARG A 11 7.107 11.664 -6.207 1.00 0.00 N ATOM 122 CZ ARG A 11 8.194 11.134 -5.629 1.00 0.00 C ATOM 123 NH1 ARG A 11 8.133 10.695 -4.364 1.00 0.00 N ATOM 124 NH2 ARG A 11 9.341 11.045 -6.315 1.00 0.00 N ATOM 0 H ARG A 11 6.140 14.148 -1.737 1.00 0.00 H new ATOM 0 HA ARG A 11 3.819 13.614 -3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.265 11.977 -2.419 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.935 11.223 -3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.320 13.693 -4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.942 13.122 -4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.462 10.839 -5.162 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.047 12.149 -6.250 1.00 0.00 H new ATOM 0 HE ARG A 11 7.188 11.989 -7.170 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.260 10.764 -3.842 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.960 10.292 -3.924 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.387 11.381 -7.277 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.168 10.642 -5.875 1.00 0.00 H new ATOM 138 N GLN A 12 2.545 11.639 -2.044 1.00 0.00 N ATOM 139 CA GLN A 12 1.615 10.812 -1.294 1.00 0.00 C ATOM 140 C GLN A 12 2.225 9.435 -1.026 1.00 0.00 C ATOM 141 O GLN A 12 2.026 8.502 -1.803 1.00 0.00 O ATOM 142 CB GLN A 12 0.278 10.687 -2.028 1.00 0.00 C ATOM 143 CG GLN A 12 -0.895 10.926 -1.076 1.00 0.00 C ATOM 144 CD GLN A 12 -2.048 9.965 -1.373 1.00 0.00 C ATOM 145 OE1 GLN A 12 -1.864 8.773 -1.557 1.00 0.00 O ATOM 146 NE2 GLN A 12 -3.243 10.548 -1.410 1.00 0.00 N ATOM 0 H GLN A 12 2.368 11.677 -3.048 1.00 0.00 H new ATOM 0 HA GLN A 12 1.422 11.294 -0.336 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.240 11.407 -2.846 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.194 9.695 -2.472 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.564 10.795 -0.046 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.241 11.955 -1.171 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.326 11.551 -1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.076 9.992 -1.601 1.00 0.00 H new ATOM 155 N VAL A 13 2.956 9.352 0.076 1.00 0.00 N ATOM 156 CA VAL A 13 3.596 8.104 0.456 1.00 0.00 C ATOM 157 C VAL A 13 2.815 7.463 1.604 1.00 0.00 C ATOM 158 O VAL A 13 2.279 6.366 1.459 1.00 0.00 O ATOM 159 CB VAL A 13 5.066 8.354 0.799 1.00 0.00 C ATOM 160 CG1 VAL A 13 5.743 7.069 1.282 1.00 0.00 C ATOM 161 CG2 VAL A 13 5.814 8.953 -0.393 1.00 0.00 C ATOM 0 H VAL A 13 3.119 10.128 0.717 1.00 0.00 H new ATOM 0 HA VAL A 13 3.585 7.400 -0.376 1.00 0.00 H new ATOM 0 HB VAL A 13 5.101 9.078 1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.787 7.275 1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.234 6.702 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.691 6.314 0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.856 9.121 -0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.765 8.265 -1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.355 9.901 -0.671 1.00 0.00 H new ATOM 171 N ARG A 14 2.774 8.176 2.720 1.00 0.00 N ATOM 172 CA ARG A 14 2.067 7.691 3.893 1.00 0.00 C ATOM 173 C ARG A 14 1.592 8.866 4.751 1.00 0.00 C ATOM 174 O ARG A 14 1.964 8.978 5.918 1.00 0.00 O ATOM 175 CB ARG A 14 2.960 6.781 4.738 1.00 0.00 C ATOM 176 CG ARG A 14 4.292 7.463 5.057 1.00 0.00 C ATOM 177 CD ARG A 14 5.403 6.430 5.258 1.00 0.00 C ATOM 178 NE ARG A 14 5.691 6.270 6.701 1.00 0.00 N ATOM 179 CZ ARG A 14 6.241 7.222 7.467 1.00 0.00 C ATOM 180 NH1 ARG A 14 6.566 8.407 6.933 1.00 0.00 N ATOM 181 NH2 ARG A 14 6.467 6.989 8.767 1.00 0.00 N ATOM 0 H ARG A 14 3.219 9.086 2.837 1.00 0.00 H new ATOM 0 HA ARG A 14 1.207 7.118 3.547 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.448 6.523 5.665 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.143 5.848 4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.562 8.139 4.246 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.188 8.070 5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.103 5.473 4.830 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.304 6.746 4.732 1.00 0.00 H new ATOM 0 HE ARG A 14 5.456 5.380 7.140 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.395 8.585 5.943 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.985 9.132 7.516 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.220 6.087 9.174 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.886 7.714 9.350 1.00 0.00 H new ATOM 195 N ARG A 15 0.777 9.713 4.139 1.00 0.00 N ATOM 196 CA ARG A 15 0.248 10.875 4.831 1.00 0.00 C ATOM 197 C ARG A 15 -1.239 11.050 4.515 1.00 0.00 C ATOM 198 O ARG A 15 -1.633 11.054 3.350 1.00 0.00 O ATOM 199 CB ARG A 15 1.001 12.146 4.430 1.00 0.00 C ATOM 200 CG ARG A 15 1.376 12.973 5.661 1.00 0.00 C ATOM 201 CD ARG A 15 0.180 13.788 6.159 1.00 0.00 C ATOM 202 NE ARG A 15 0.651 15.031 6.809 1.00 0.00 N ATOM 203 CZ ARG A 15 1.255 16.037 6.160 1.00 0.00 C ATOM 204 NH1 ARG A 15 1.464 15.951 4.839 1.00 0.00 N ATOM 205 NH2 ARG A 15 1.649 17.127 6.831 1.00 0.00 N ATOM 0 H ARG A 15 0.470 9.617 3.171 1.00 0.00 H new ATOM 0 HA ARG A 15 0.379 10.711 5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.902 11.880 3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.382 12.744 3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.726 12.313 6.454 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.200 13.643 5.416 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.478 14.031 5.325 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.405 13.198 6.865 1.00 0.00 H new ATOM 0 HE ARG A 15 0.507 15.129 7.814 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.164 15.121 4.328 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.923 16.716 4.344 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.490 17.192 7.836 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.108 17.892 6.337 1.00 0.00 H new ATOM 219 N LEU A 16 -2.023 11.191 5.573 1.00 0.00 N ATOM 220 CA LEU A 16 -3.458 11.365 5.423 1.00 0.00 C ATOM 221 C LEU A 16 -4.102 10.013 5.111 1.00 0.00 C ATOM 222 O LEU A 16 -4.784 9.436 5.957 1.00 0.00 O ATOM 223 CB LEU A 16 -3.760 12.446 4.383 1.00 0.00 C ATOM 224 CG LEU A 16 -4.563 13.650 4.880 1.00 0.00 C ATOM 225 CD1 LEU A 16 -3.681 14.896 4.973 1.00 0.00 C ATOM 226 CD2 LEU A 16 -5.796 13.885 4.006 1.00 0.00 C ATOM 0 H LEU A 16 -1.692 11.188 6.538 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.899 11.720 6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.814 12.807 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.305 11.987 3.558 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.919 13.431 5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.276 15.737 5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.862 14.711 5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.275 15.129 3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.349 14.746 4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.483 14.074 2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.436 13.003 4.034 1.00 0.00 H new ATOM 238 N GLU A 17 -3.864 9.547 3.894 1.00 0.00 N ATOM 239 CA GLU A 17 -4.412 8.274 3.459 1.00 0.00 C ATOM 240 C GLU A 17 -3.717 7.121 4.185 1.00 0.00 C ATOM 241 O GLU A 17 -2.520 6.901 4.006 1.00 0.00 O ATOM 242 CB GLU A 17 -4.296 8.116 1.942 1.00 0.00 C ATOM 243 CG GLU A 17 -5.411 8.878 1.223 1.00 0.00 C ATOM 244 CD GLU A 17 -5.929 8.087 0.021 1.00 0.00 C ATOM 245 OE1 GLU A 17 -6.208 6.883 0.210 1.00 0.00 O ATOM 246 OE2 GLU A 17 -6.035 8.704 -1.061 1.00 0.00 O ATOM 0 H GLU A 17 -3.299 10.029 3.195 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.472 8.252 3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.326 8.484 1.608 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.344 7.059 1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.230 9.071 1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.039 9.847 0.892 1.00 0.00 H new ATOM 253 N PHE A 18 -4.497 6.415 4.991 1.00 0.00 N ATOM 254 CA PHE A 18 -3.971 5.290 5.746 1.00 0.00 C ATOM 255 C PHE A 18 -5.104 4.424 6.299 1.00 0.00 C ATOM 256 O PHE A 18 -5.153 3.222 6.043 1.00 0.00 O ATOM 257 CB PHE A 18 -3.171 5.870 6.913 1.00 0.00 C ATOM 258 CG PHE A 18 -3.012 4.911 8.096 1.00 0.00 C ATOM 259 CD1 PHE A 18 -2.684 3.610 7.877 1.00 0.00 C ATOM 260 CD2 PHE A 18 -3.200 5.361 9.365 1.00 0.00 C ATOM 261 CE1 PHE A 18 -2.537 2.721 8.974 1.00 0.00 C ATOM 262 CE2 PHE A 18 -3.053 4.472 10.463 1.00 0.00 C ATOM 263 CZ PHE A 18 -2.724 3.170 10.244 1.00 0.00 C ATOM 0 H PHE A 18 -5.489 6.600 5.138 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.354 4.664 5.101 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.182 6.157 6.555 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.661 6.780 7.259 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.535 3.253 6.869 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.461 6.395 9.538 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.276 1.687 8.800 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.202 4.829 11.471 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.611 2.493 11.078 1.00 0.00 H new ATOM 273 N ASN A 19 -5.987 5.068 7.048 1.00 0.00 N ATOM 274 CA ASN A 19 -7.116 4.372 7.640 1.00 0.00 C ATOM 275 C ASN A 19 -7.826 3.551 6.562 1.00 0.00 C ATOM 276 O ASN A 19 -7.963 2.335 6.691 1.00 0.00 O ATOM 277 CB ASN A 19 -8.128 5.359 8.225 1.00 0.00 C ATOM 278 CG ASN A 19 -8.599 4.907 9.609 1.00 0.00 C ATOM 279 OD1 ASN A 19 -9.371 3.974 9.756 1.00 0.00 O ATOM 280 ND2 ASN A 19 -8.093 5.620 10.611 1.00 0.00 N ATOM 0 H ASN A 19 -5.943 6.065 7.258 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.736 3.731 8.436 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.677 6.349 8.296 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.984 5.446 7.556 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.346 5.398 11.574 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.451 6.389 10.417 1.00 0.00 H new ATOM 287 N GLN A 20 -8.260 4.248 5.522 1.00 0.00 N ATOM 288 CA GLN A 20 -8.952 3.599 4.421 1.00 0.00 C ATOM 289 C GLN A 20 -8.117 2.437 3.881 1.00 0.00 C ATOM 290 O GLN A 20 -8.613 1.319 3.750 1.00 0.00 O ATOM 291 CB GLN A 20 -9.280 4.601 3.313 1.00 0.00 C ATOM 292 CG GLN A 20 -10.142 3.954 2.227 1.00 0.00 C ATOM 293 CD GLN A 20 -11.460 3.439 2.808 1.00 0.00 C ATOM 294 OE1 GLN A 20 -12.181 4.141 3.498 1.00 0.00 O ATOM 295 NE2 GLN A 20 -11.734 2.176 2.491 1.00 0.00 N ATOM 0 H GLN A 20 -8.146 5.256 5.418 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.895 3.200 4.795 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.804 5.458 3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.357 4.978 2.873 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.346 4.679 1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.596 3.130 1.767 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.087 1.644 1.909 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.591 1.740 2.830 1.00 0.00 H new ATOM 304 N ALA A 21 -6.863 2.740 3.580 1.00 0.00 N ATOM 305 CA ALA A 21 -5.954 1.735 3.057 1.00 0.00 C ATOM 306 C ALA A 21 -6.147 0.428 3.828 1.00 0.00 C ATOM 307 O ALA A 21 -6.555 -0.581 3.255 1.00 0.00 O ATOM 308 CB ALA A 21 -4.517 2.253 3.138 1.00 0.00 C ATOM 0 H ALA A 21 -6.455 3.668 3.689 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.169 1.533 2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.836 1.498 2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.426 3.166 2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.264 2.464 4.177 1.00 0.00 H new ATOM 314 N MET A 22 -5.845 0.488 5.117 1.00 0.00 N ATOM 315 CA MET A 22 -5.980 -0.678 5.973 1.00 0.00 C ATOM 316 C MET A 22 -7.297 -1.407 5.702 1.00 0.00 C ATOM 317 O MET A 22 -7.310 -2.622 5.506 1.00 0.00 O ATOM 318 CB MET A 22 -5.929 -0.244 7.439 1.00 0.00 C ATOM 319 CG MET A 22 -4.577 0.389 7.777 1.00 0.00 C ATOM 320 SD MET A 22 -3.258 -0.756 7.411 1.00 0.00 S ATOM 321 CE MET A 22 -3.552 -1.981 8.676 1.00 0.00 C ATOM 0 H MET A 22 -5.507 1.327 5.589 1.00 0.00 H new ATOM 0 HA MET A 22 -5.158 -1.360 5.758 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.729 0.469 7.639 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.102 -1.106 8.083 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.442 1.307 7.204 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.549 0.664 8.831 1.00 0.00 H new ATOM 0 HE1 MET A 22 -2.856 -2.810 8.548 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.405 -1.532 9.658 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.575 -2.349 8.595 1.00 0.00 H new ATOM 331 N ASP A 23 -8.374 -0.635 5.699 1.00 0.00 N ATOM 332 CA ASP A 23 -9.694 -1.193 5.456 1.00 0.00 C ATOM 333 C ASP A 23 -9.660 -2.031 4.176 1.00 0.00 C ATOM 334 O ASP A 23 -10.145 -3.162 4.158 1.00 0.00 O ATOM 335 CB ASP A 23 -10.733 -0.086 5.268 1.00 0.00 C ATOM 336 CG ASP A 23 -12.010 -0.251 6.094 1.00 0.00 C ATOM 337 OD1 ASP A 23 -11.888 -0.749 7.234 1.00 0.00 O ATOM 338 OD2 ASP A 23 -13.080 0.124 5.568 1.00 0.00 O ATOM 0 H ASP A 23 -8.360 0.372 5.861 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.967 -1.802 6.318 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.274 0.869 5.523 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.004 -0.038 4.213 1.00 0.00 H new ATOM 343 N ASP A 24 -9.084 -1.445 3.137 1.00 0.00 N ATOM 344 CA ASP A 24 -8.981 -2.124 1.857 1.00 0.00 C ATOM 345 C ASP A 24 -8.358 -3.506 2.066 1.00 0.00 C ATOM 346 O ASP A 24 -8.913 -4.513 1.631 1.00 0.00 O ATOM 347 CB ASP A 24 -8.088 -1.344 0.890 1.00 0.00 C ATOM 348 CG ASP A 24 -8.674 -1.138 -0.508 1.00 0.00 C ATOM 349 OD1 ASP A 24 -9.783 -0.567 -0.580 1.00 0.00 O ATOM 350 OD2 ASP A 24 -7.999 -1.557 -1.473 1.00 0.00 O ATOM 0 H ASP A 24 -8.684 -0.507 3.156 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.983 -2.205 1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.873 -0.368 1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.137 -1.867 0.795 1.00 0.00 H new ATOM 355 N PHE A 25 -7.212 -3.508 2.732 1.00 0.00 N ATOM 356 CA PHE A 25 -6.508 -4.750 3.004 1.00 0.00 C ATOM 357 C PHE A 25 -7.338 -5.665 3.906 1.00 0.00 C ATOM 358 O PHE A 25 -7.386 -6.876 3.692 1.00 0.00 O ATOM 359 CB PHE A 25 -5.212 -4.379 3.729 1.00 0.00 C ATOM 360 CG PHE A 25 -4.214 -3.609 2.863 1.00 0.00 C ATOM 361 CD1 PHE A 25 -3.959 -4.018 1.591 1.00 0.00 C ATOM 362 CD2 PHE A 25 -3.580 -2.515 3.364 1.00 0.00 C ATOM 363 CE1 PHE A 25 -3.032 -3.303 0.787 1.00 0.00 C ATOM 364 CE2 PHE A 25 -2.654 -1.800 2.561 1.00 0.00 C ATOM 365 CZ PHE A 25 -2.399 -2.209 1.289 1.00 0.00 C ATOM 0 H PHE A 25 -6.754 -2.670 3.091 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.316 -5.281 2.072 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.457 -3.778 4.605 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.736 -5.291 4.091 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.462 -4.887 1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.782 -2.190 4.374 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.830 -3.628 -0.223 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.152 -0.931 2.960 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.694 -1.665 0.678 1.00 0.00 H new ATOM 375 N LYS A 26 -7.972 -5.052 4.895 1.00 0.00 N ATOM 376 CA LYS A 26 -8.798 -5.797 5.830 1.00 0.00 C ATOM 377 C LYS A 26 -9.824 -6.623 5.051 1.00 0.00 C ATOM 378 O LYS A 26 -10.093 -7.772 5.399 1.00 0.00 O ATOM 379 CB LYS A 26 -9.423 -4.855 6.861 1.00 0.00 C ATOM 380 CG LYS A 26 -8.505 -4.683 8.073 1.00 0.00 C ATOM 381 CD LYS A 26 -8.226 -6.029 8.745 1.00 0.00 C ATOM 382 CE LYS A 26 -8.022 -5.858 10.252 1.00 0.00 C ATOM 383 NZ LYS A 26 -9.326 -5.832 10.952 1.00 0.00 N ATOM 0 H LYS A 26 -7.930 -4.048 5.069 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.189 -6.499 6.401 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.613 -3.884 6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.386 -5.250 7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.566 -4.227 7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.966 -4.003 8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.057 -6.710 8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.339 -6.483 8.304 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.412 -6.675 10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.478 -4.934 10.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.169 -5.715 11.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.895 -5.038 10.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.831 -6.725 10.779 1.00 0.00 H new ATOM 397 N THR A 27 -10.368 -6.006 4.013 1.00 0.00 N ATOM 398 CA THR A 27 -11.358 -6.671 3.182 1.00 0.00 C ATOM 399 C THR A 27 -10.676 -7.624 2.199 1.00 0.00 C ATOM 400 O THR A 27 -11.211 -8.687 1.888 1.00 0.00 O ATOM 401 CB THR A 27 -12.201 -5.593 2.498 1.00 0.00 C ATOM 402 OG1 THR A 27 -13.473 -5.692 3.132 1.00 0.00 O ATOM 403 CG2 THR A 27 -12.490 -5.919 1.031 1.00 0.00 C ATOM 0 H THR A 27 -10.142 -5.053 3.728 1.00 0.00 H new ATOM 0 HA THR A 27 -12.023 -7.294 3.780 1.00 0.00 H new ATOM 0 HB THR A 27 -11.686 -4.635 2.563 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.082 -5.026 2.749 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.091 -5.122 0.593 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.550 -6.006 0.486 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.035 -6.861 0.968 1.00 0.00 H new ATOM 411 N MET A 28 -9.506 -7.209 1.737 1.00 0.00 N ATOM 412 CA MET A 28 -8.745 -8.013 0.796 1.00 0.00 C ATOM 413 C MET A 28 -8.282 -9.320 1.440 1.00 0.00 C ATOM 414 O MET A 28 -8.445 -10.394 0.862 1.00 0.00 O ATOM 415 CB MET A 28 -7.528 -7.221 0.315 1.00 0.00 C ATOM 416 CG MET A 28 -7.956 -5.969 -0.453 1.00 0.00 C ATOM 417 SD MET A 28 -7.587 -6.161 -2.189 1.00 0.00 S ATOM 418 CE MET A 28 -5.814 -6.354 -2.109 1.00 0.00 C ATOM 0 H MET A 28 -9.066 -6.326 1.997 1.00 0.00 H new ATOM 0 HA MET A 28 -9.389 -8.255 -0.049 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.915 -6.936 1.170 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.910 -7.851 -0.325 1.00 0.00 H new ATOM 0 HG2 MET A 28 -9.024 -5.796 -0.317 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.438 -5.095 -0.057 1.00 0.00 H new ATOM 0 HE1 MET A 28 -5.350 -5.796 -2.922 1.00 0.00 H new ATOM 0 HE2 MET A 28 -5.449 -5.975 -1.154 1.00 0.00 H new ATOM 0 HE3 MET A 28 -5.558 -7.410 -2.201 1.00 0.00 H new ATOM 428 N PHE A 29 -7.713 -9.188 2.630 1.00 0.00 N ATOM 429 CA PHE A 29 -7.225 -10.346 3.359 1.00 0.00 C ATOM 430 C PHE A 29 -7.698 -10.317 4.814 1.00 0.00 C ATOM 431 O PHE A 29 -7.132 -9.603 5.641 1.00 0.00 O ATOM 432 CB PHE A 29 -5.697 -10.280 3.331 1.00 0.00 C ATOM 433 CG PHE A 29 -5.102 -10.223 1.923 1.00 0.00 C ATOM 434 CD1 PHE A 29 -5.038 -9.038 1.259 1.00 0.00 C ATOM 435 CD2 PHE A 29 -4.638 -11.358 1.334 1.00 0.00 C ATOM 436 CE1 PHE A 29 -4.486 -8.985 -0.048 1.00 0.00 C ATOM 437 CE2 PHE A 29 -4.086 -11.306 0.027 1.00 0.00 C ATOM 438 CZ PHE A 29 -4.022 -10.120 -0.637 1.00 0.00 C ATOM 0 H PHE A 29 -7.579 -8.296 3.107 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.602 -11.260 2.901 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.371 -9.401 3.888 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.296 -11.152 3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.407 -8.137 1.726 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.690 -12.299 1.861 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.434 -8.044 -0.575 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.717 -12.207 -0.440 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.603 -10.080 -1.632 1.00 0.00 H new ATOM 448 N PRO A 30 -8.759 -11.122 5.089 1.00 0.00 N ATOM 449 CA PRO A 30 -9.315 -11.195 6.430 1.00 0.00 C ATOM 450 C PRO A 30 -8.411 -12.012 7.354 1.00 0.00 C ATOM 451 O PRO A 30 -8.425 -11.822 8.570 1.00 0.00 O ATOM 452 CB PRO A 30 -10.693 -11.810 6.251 1.00 0.00 C ATOM 453 CG PRO A 30 -10.676 -12.484 4.889 1.00 0.00 C ATOM 454 CD PRO A 30 -9.455 -11.980 4.135 1.00 0.00 C ATOM 0 HA PRO A 30 -9.388 -10.219 6.909 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.904 -12.531 7.041 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.470 -11.047 6.299 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.636 -13.568 5.000 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.587 -12.253 4.337 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.822 -12.805 3.810 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.742 -11.427 3.241 1.00 0.00 H new ATOM 462 N ASN A 31 -7.646 -12.905 6.744 1.00 0.00 N ATOM 463 CA ASN A 31 -6.736 -13.752 7.497 1.00 0.00 C ATOM 464 C ASN A 31 -5.555 -12.913 7.989 1.00 0.00 C ATOM 465 O ASN A 31 -4.880 -13.288 8.947 1.00 0.00 O ATOM 466 CB ASN A 31 -6.184 -14.880 6.624 1.00 0.00 C ATOM 467 CG ASN A 31 -6.961 -16.179 6.849 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.160 -16.184 7.072 1.00 0.00 O ATOM 469 ND2 ASN A 31 -6.213 -17.276 6.779 1.00 0.00 N ATOM 0 H ASN A 31 -7.637 -13.061 5.736 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.288 -14.181 8.333 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.243 -14.594 5.574 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.130 -15.039 6.852 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.638 -18.193 6.916 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.214 -17.201 6.589 1.00 0.00 H new ATOM 476 N MET A 32 -5.341 -11.795 7.312 1.00 0.00 N ATOM 477 CA MET A 32 -4.253 -10.900 7.669 1.00 0.00 C ATOM 478 C MET A 32 -4.531 -10.204 9.003 1.00 0.00 C ATOM 479 O MET A 32 -5.629 -10.311 9.546 1.00 0.00 O ATOM 480 CB MET A 32 -4.075 -9.850 6.571 1.00 0.00 C ATOM 481 CG MET A 32 -2.850 -10.159 5.709 1.00 0.00 C ATOM 482 SD MET A 32 -2.977 -11.809 5.038 1.00 0.00 S ATOM 483 CE MET A 32 -1.360 -11.967 4.298 1.00 0.00 C ATOM 0 H MET A 32 -5.903 -11.488 6.518 1.00 0.00 H new ATOM 0 HA MET A 32 -3.341 -11.489 7.772 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.966 -9.819 5.944 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.968 -8.863 7.021 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.772 -9.433 4.900 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.943 -10.069 6.306 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.978 -12.973 4.470 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.431 -11.784 3.226 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.682 -11.240 4.746 1.00 0.00 H new ATOM 493 N ASP A 33 -3.517 -9.506 9.491 1.00 0.00 N ATOM 494 CA ASP A 33 -3.638 -8.792 10.751 1.00 0.00 C ATOM 495 C ASP A 33 -3.207 -7.337 10.552 1.00 0.00 C ATOM 496 O ASP A 33 -2.249 -7.063 9.830 1.00 0.00 O ATOM 497 CB ASP A 33 -2.737 -9.409 11.823 1.00 0.00 C ATOM 498 CG ASP A 33 -3.454 -9.823 13.109 1.00 0.00 C ATOM 499 OD1 ASP A 33 -3.844 -8.905 13.863 1.00 0.00 O ATOM 500 OD2 ASP A 33 -3.595 -11.049 13.311 1.00 0.00 O ATOM 0 H ASP A 33 -2.608 -9.419 9.037 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.677 -8.853 11.074 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.244 -10.285 11.402 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.955 -8.693 12.075 1.00 0.00 H new ATOM 505 N TYR A 34 -3.935 -6.443 11.204 1.00 0.00 N ATOM 506 CA TYR A 34 -3.640 -5.023 11.107 1.00 0.00 C ATOM 507 C TYR A 34 -2.144 -4.761 11.287 1.00 0.00 C ATOM 508 O TYR A 34 -1.603 -3.813 10.720 1.00 0.00 O ATOM 509 CB TYR A 34 -4.404 -4.355 12.252 1.00 0.00 C ATOM 510 CG TYR A 34 -4.611 -2.850 12.066 1.00 0.00 C ATOM 511 CD1 TYR A 34 -5.518 -2.388 11.134 1.00 0.00 C ATOM 512 CD2 TYR A 34 -3.891 -1.956 12.831 1.00 0.00 C ATOM 513 CE1 TYR A 34 -5.713 -0.972 10.960 1.00 0.00 C ATOM 514 CE2 TYR A 34 -4.086 -0.540 12.657 1.00 0.00 C ATOM 515 CZ TYR A 34 -4.987 -0.118 11.730 1.00 0.00 C ATOM 516 OH TYR A 34 -5.171 1.220 11.565 1.00 0.00 O ATOM 0 H TYR A 34 -4.729 -6.674 11.802 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.929 -4.636 10.130 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.377 -4.835 12.355 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.864 -4.525 13.184 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.081 -3.088 10.535 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.181 -2.318 13.560 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.420 -0.597 10.235 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.529 0.171 13.249 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.370 1.613 11.160 1.00 0.00 H new ATOM 526 N ASP A 35 -1.516 -5.618 12.079 1.00 0.00 N ATOM 527 CA ASP A 35 -0.093 -5.491 12.341 1.00 0.00 C ATOM 528 C ASP A 35 0.692 -6.012 11.136 1.00 0.00 C ATOM 529 O ASP A 35 1.673 -5.399 10.717 1.00 0.00 O ATOM 530 CB ASP A 35 0.318 -6.313 13.564 1.00 0.00 C ATOM 531 CG ASP A 35 0.461 -5.516 14.862 1.00 0.00 C ATOM 532 OD1 ASP A 35 1.577 -5.002 15.092 1.00 0.00 O ATOM 533 OD2 ASP A 35 -0.549 -5.437 15.594 1.00 0.00 O ATOM 0 H ASP A 35 -1.967 -6.403 12.548 1.00 0.00 H new ATOM 0 HA ASP A 35 0.123 -4.439 12.525 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.420 -7.100 13.718 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.268 -6.804 13.350 1.00 0.00 H new ATOM 538 N ILE A 36 0.230 -7.137 10.611 1.00 0.00 N ATOM 539 CA ILE A 36 0.877 -7.748 9.462 1.00 0.00 C ATOM 540 C ILE A 36 0.716 -6.833 8.246 1.00 0.00 C ATOM 541 O ILE A 36 1.699 -6.477 7.598 1.00 0.00 O ATOM 542 CB ILE A 36 0.346 -9.166 9.239 1.00 0.00 C ATOM 543 CG1 ILE A 36 0.373 -9.972 10.540 1.00 0.00 C ATOM 544 CG2 ILE A 36 1.111 -9.867 8.115 1.00 0.00 C ATOM 545 CD1 ILE A 36 1.717 -9.817 11.253 1.00 0.00 C ATOM 0 H ILE A 36 -0.585 -7.642 10.960 1.00 0.00 H new ATOM 0 HA ILE A 36 1.947 -7.857 9.640 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.695 -9.096 8.925 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.431 -9.638 11.196 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.191 -11.025 10.324 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.714 -10.873 7.977 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.997 -9.302 7.190 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.168 -9.927 8.376 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.709 -10.400 12.174 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.516 -10.174 10.604 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.884 -8.766 11.490 1.00 0.00 H new ATOM 557 N ILE A 37 -0.531 -6.479 7.973 1.00 0.00 N ATOM 558 CA ILE A 37 -0.834 -5.612 6.847 1.00 0.00 C ATOM 559 C ILE A 37 0.136 -4.428 6.845 1.00 0.00 C ATOM 560 O ILE A 37 0.848 -4.206 5.867 1.00 0.00 O ATOM 561 CB ILE A 37 -2.307 -5.200 6.868 1.00 0.00 C ATOM 562 CG1 ILE A 37 -3.214 -6.394 6.561 1.00 0.00 C ATOM 563 CG2 ILE A 37 -2.562 -4.027 5.919 1.00 0.00 C ATOM 564 CD1 ILE A 37 -4.545 -6.277 7.307 1.00 0.00 C ATOM 0 H ILE A 37 -1.344 -6.777 8.512 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.690 -6.145 5.907 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.553 -4.859 7.874 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.398 -6.449 5.488 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.713 -7.319 6.847 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.617 -3.754 5.953 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.956 -3.174 6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.295 -4.317 4.903 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.171 -7.138 7.072 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.359 -6.246 8.381 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.055 -5.363 7.001 1.00 0.00 H new ATOM 576 N GLU A 38 0.132 -3.700 7.952 1.00 0.00 N ATOM 577 CA GLU A 38 1.002 -2.545 8.090 1.00 0.00 C ATOM 578 C GLU A 38 2.461 -2.949 7.866 1.00 0.00 C ATOM 579 O GLU A 38 3.181 -2.296 7.111 1.00 0.00 O ATOM 580 CB GLU A 38 0.821 -1.882 9.457 1.00 0.00 C ATOM 581 CG GLU A 38 -0.508 -1.127 9.529 1.00 0.00 C ATOM 582 CD GLU A 38 -0.303 0.367 9.270 1.00 0.00 C ATOM 583 OE1 GLU A 38 0.150 0.693 8.152 1.00 0.00 O ATOM 584 OE2 GLU A 38 -0.605 1.150 10.197 1.00 0.00 O ATOM 0 H GLU A 38 -0.460 -3.888 8.761 1.00 0.00 H new ATOM 0 HA GLU A 38 0.726 -1.815 7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.856 -2.640 10.240 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.645 -1.193 9.643 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.203 -1.535 8.795 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.960 -1.271 10.510 1.00 0.00 H new ATOM 591 N CYS A 39 2.854 -4.023 8.535 1.00 0.00 N ATOM 592 CA CYS A 39 4.213 -4.521 8.418 1.00 0.00 C ATOM 593 C CYS A 39 4.628 -4.447 6.947 1.00 0.00 C ATOM 594 O CYS A 39 5.692 -3.923 6.624 1.00 0.00 O ATOM 595 CB CYS A 39 4.346 -5.939 8.978 1.00 0.00 C ATOM 596 SG CYS A 39 5.246 -5.902 10.571 1.00 0.00 S ATOM 0 H CYS A 39 2.255 -4.562 9.160 1.00 0.00 H new ATOM 0 HA CYS A 39 4.882 -3.901 9.014 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.358 -6.377 9.119 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.876 -6.572 8.266 1.00 0.00 H new ATOM 0 HG CYS A 39 5.351 -7.111 11.038 1.00 0.00 H new ATOM 602 N VAL A 40 3.764 -4.980 6.095 1.00 0.00 N ATOM 603 CA VAL A 40 4.027 -4.981 4.666 1.00 0.00 C ATOM 604 C VAL A 40 4.126 -3.537 4.169 1.00 0.00 C ATOM 605 O VAL A 40 5.067 -3.184 3.461 1.00 0.00 O ATOM 606 CB VAL A 40 2.954 -5.792 3.937 1.00 0.00 C ATOM 607 CG1 VAL A 40 3.342 -6.026 2.476 1.00 0.00 C ATOM 608 CG2 VAL A 40 2.687 -7.117 4.653 1.00 0.00 C ATOM 0 H VAL A 40 2.882 -5.414 6.367 1.00 0.00 H new ATOM 0 HA VAL A 40 4.981 -5.464 4.453 1.00 0.00 H new ATOM 0 HB VAL A 40 2.030 -5.213 3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.562 -6.605 1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.457 -5.066 1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.283 -6.574 2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.920 -7.674 4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.605 -7.704 4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.345 -6.919 5.669 1.00 0.00 H new ATOM 618 N LEU A 41 3.141 -2.742 4.560 1.00 0.00 N ATOM 619 CA LEU A 41 3.105 -1.344 4.164 1.00 0.00 C ATOM 620 C LEU A 41 4.478 -0.714 4.408 1.00 0.00 C ATOM 621 O LEU A 41 5.055 -0.105 3.508 1.00 0.00 O ATOM 622 CB LEU A 41 1.960 -0.616 4.869 1.00 0.00 C ATOM 623 CG LEU A 41 0.554 -0.900 4.335 1.00 0.00 C ATOM 624 CD1 LEU A 41 -0.507 -0.197 5.184 1.00 0.00 C ATOM 625 CD2 LEU A 41 0.445 -0.526 2.855 1.00 0.00 C ATOM 0 H LEU A 41 2.362 -3.039 5.147 1.00 0.00 H new ATOM 0 HA LEU A 41 2.898 -1.256 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.985 -0.879 5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.142 0.457 4.803 1.00 0.00 H new ATOM 0 HG LEU A 41 0.369 -1.971 4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.497 -0.415 4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.445 -0.554 6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.336 0.879 5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.564 -0.737 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.658 0.536 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.163 -1.110 2.278 1.00 0.00 H new ATOM 637 N ARG A 42 4.961 -0.881 5.630 1.00 0.00 N ATOM 638 CA ARG A 42 6.255 -0.336 6.004 1.00 0.00 C ATOM 639 C ARG A 42 7.379 -1.128 5.333 1.00 0.00 C ATOM 640 O ARG A 42 8.352 -0.548 4.853 1.00 0.00 O ATOM 641 CB ARG A 42 6.451 -0.373 7.521 1.00 0.00 C ATOM 642 CG ARG A 42 5.317 0.363 8.238 1.00 0.00 C ATOM 643 CD ARG A 42 4.900 1.615 7.464 1.00 0.00 C ATOM 644 NE ARG A 42 6.073 2.492 7.252 1.00 0.00 N ATOM 645 CZ ARG A 42 6.609 3.272 8.200 1.00 0.00 C ATOM 646 NH1 ARG A 42 6.081 3.289 9.432 1.00 0.00 N ATOM 647 NH2 ARG A 42 7.674 4.036 7.917 1.00 0.00 N ATOM 0 H ARG A 42 4.480 -1.386 6.374 1.00 0.00 H new ATOM 0 HA ARG A 42 6.286 0.701 5.670 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.490 -1.408 7.861 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.406 0.084 7.779 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.461 -0.302 8.350 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.637 0.642 9.242 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.469 1.332 6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.128 2.153 8.014 1.00 0.00 H new ATOM 0 HE ARG A 42 6.500 2.503 6.326 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.271 2.708 9.648 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.489 3.883 10.154 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.076 4.023 6.980 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.082 4.630 8.639 1.00 0.00 H new ATOM 661 N ALA A 43 7.208 -2.442 5.320 1.00 0.00 N ATOM 662 CA ALA A 43 8.196 -3.320 4.716 1.00 0.00 C ATOM 663 C ALA A 43 8.391 -2.927 3.250 1.00 0.00 C ATOM 664 O ALA A 43 9.491 -3.047 2.713 1.00 0.00 O ATOM 665 CB ALA A 43 7.752 -4.775 4.875 1.00 0.00 C ATOM 0 H ALA A 43 6.400 -2.920 5.718 1.00 0.00 H new ATOM 0 HA ALA A 43 9.159 -3.217 5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.493 -5.433 4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.655 -5.012 5.934 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.790 -4.918 4.382 1.00 0.00 H new ATOM 671 N ASN A 44 7.307 -2.466 2.644 1.00 0.00 N ATOM 672 CA ASN A 44 7.345 -2.055 1.251 1.00 0.00 C ATOM 673 C ASN A 44 7.599 -0.548 1.175 1.00 0.00 C ATOM 674 O ASN A 44 7.965 -0.028 0.122 1.00 0.00 O ATOM 675 CB ASN A 44 6.015 -2.346 0.554 1.00 0.00 C ATOM 676 CG ASN A 44 5.865 -3.840 0.259 1.00 0.00 C ATOM 677 OD1 ASN A 44 5.893 -4.280 -0.878 1.00 0.00 O ATOM 678 ND2 ASN A 44 5.706 -4.592 1.345 1.00 0.00 N ATOM 0 H ASN A 44 6.396 -2.368 3.093 1.00 0.00 H new ATOM 0 HA ASN A 44 8.140 -2.613 0.757 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.190 -2.011 1.183 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.956 -1.781 -0.376 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.598 -5.602 1.254 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.692 -4.158 2.268 1.00 0.00 H new ATOM 685 N SER A 45 7.394 0.112 2.306 1.00 0.00 N ATOM 686 CA SER A 45 7.596 1.549 2.381 1.00 0.00 C ATOM 687 C SER A 45 6.464 2.275 1.650 1.00 0.00 C ATOM 688 O SER A 45 6.633 2.706 0.510 1.00 0.00 O ATOM 689 CB SER A 45 8.950 1.947 1.790 1.00 0.00 C ATOM 690 OG SER A 45 9.820 2.499 2.774 1.00 0.00 O ATOM 0 H SER A 45 7.090 -0.322 3.178 1.00 0.00 H new ATOM 0 HA SER A 45 7.589 1.841 3.431 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.420 1.073 1.340 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.798 2.674 0.992 1.00 0.00 H new ATOM 0 HG SER A 45 10.674 2.739 2.358 1.00 0.00 H new ATOM 696 N GLY A 46 5.337 2.390 2.336 1.00 0.00 N ATOM 697 CA GLY A 46 4.178 3.056 1.767 1.00 0.00 C ATOM 698 C GLY A 46 4.035 2.731 0.279 1.00 0.00 C ATOM 699 O GLY A 46 4.609 3.415 -0.568 1.00 0.00 O ATOM 0 H GLY A 46 5.202 2.033 3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.278 2.746 2.299 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.272 4.134 1.900 1.00 0.00 H new ATOM 703 N ALA A 47 3.266 1.688 0.005 1.00 0.00 N ATOM 704 CA ALA A 47 3.040 1.264 -1.367 1.00 0.00 C ATOM 705 C ALA A 47 1.997 0.145 -1.385 1.00 0.00 C ATOM 706 O ALA A 47 2.336 -1.028 -1.233 1.00 0.00 O ATOM 707 CB ALA A 47 4.368 0.833 -1.993 1.00 0.00 C ATOM 0 H ALA A 47 2.791 1.124 0.709 1.00 0.00 H new ATOM 0 HA ALA A 47 2.650 2.088 -1.964 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.199 0.515 -3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.064 1.671 -1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.788 0.005 -1.422 1.00 0.00 H new ATOM 713 N VAL A 48 0.748 0.546 -1.572 1.00 0.00 N ATOM 714 CA VAL A 48 -0.347 -0.408 -1.611 1.00 0.00 C ATOM 715 C VAL A 48 -0.143 -1.362 -2.790 1.00 0.00 C ATOM 716 O VAL A 48 -0.085 -2.577 -2.607 1.00 0.00 O ATOM 717 CB VAL A 48 -1.684 0.333 -1.666 1.00 0.00 C ATOM 718 CG1 VAL A 48 -2.855 -0.652 -1.712 1.00 0.00 C ATOM 719 CG2 VAL A 48 -1.826 1.297 -0.487 1.00 0.00 C ATOM 0 H VAL A 48 0.470 1.519 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.362 -1.011 -0.703 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.703 0.921 -2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.794 -0.100 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.767 -1.281 -2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.839 -1.278 -0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.785 1.811 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.775 0.739 0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.019 2.030 -0.517 1.00 0.00 H new ATOM 729 N ASP A 49 -0.040 -0.776 -3.974 1.00 0.00 N ATOM 730 CA ASP A 49 0.156 -1.559 -5.182 1.00 0.00 C ATOM 731 C ASP A 49 1.137 -2.697 -4.893 1.00 0.00 C ATOM 732 O ASP A 49 0.987 -3.799 -5.419 1.00 0.00 O ATOM 733 CB ASP A 49 0.743 -0.702 -6.305 1.00 0.00 C ATOM 734 CG ASP A 49 -0.284 -0.112 -7.273 1.00 0.00 C ATOM 735 OD1 ASP A 49 -1.002 0.816 -6.842 1.00 0.00 O ATOM 736 OD2 ASP A 49 -0.329 -0.602 -8.422 1.00 0.00 O ATOM 0 H ASP A 49 -0.089 0.232 -4.122 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.814 -1.946 -5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.311 0.115 -5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.449 -1.308 -6.873 1.00 0.00 H new ATOM 741 N ALA A 50 2.120 -2.391 -4.059 1.00 0.00 N ATOM 742 CA ALA A 50 3.125 -3.375 -3.695 1.00 0.00 C ATOM 743 C ALA A 50 2.605 -4.224 -2.533 1.00 0.00 C ATOM 744 O ALA A 50 2.499 -5.444 -2.649 1.00 0.00 O ATOM 745 CB ALA A 50 4.436 -2.663 -3.355 1.00 0.00 C ATOM 0 H ALA A 50 2.242 -1.476 -3.625 1.00 0.00 H new ATOM 0 HA ALA A 50 3.325 -4.046 -4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.190 -3.401 -3.082 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.778 -2.098 -4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.274 -1.983 -2.519 1.00 0.00 H new ATOM 751 N THR A 51 2.293 -3.544 -1.439 1.00 0.00 N ATOM 752 CA THR A 51 1.786 -4.221 -0.257 1.00 0.00 C ATOM 753 C THR A 51 0.824 -5.342 -0.655 1.00 0.00 C ATOM 754 O THR A 51 0.740 -6.363 0.025 1.00 0.00 O ATOM 755 CB THR A 51 1.149 -3.169 0.653 1.00 0.00 C ATOM 756 OG1 THR A 51 2.182 -2.207 0.849 1.00 0.00 O ATOM 757 CG2 THR A 51 0.866 -3.704 2.058 1.00 0.00 C ATOM 0 H THR A 51 2.381 -2.532 -1.346 1.00 0.00 H new ATOM 0 HA THR A 51 2.590 -4.707 0.296 1.00 0.00 H new ATOM 0 HB THR A 51 0.220 -2.817 0.205 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.031 -1.440 0.258 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.414 -2.918 2.663 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.182 -4.550 1.994 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.800 -4.026 2.520 1.00 0.00 H new ATOM 765 N ILE A 52 0.123 -5.113 -1.756 1.00 0.00 N ATOM 766 CA ILE A 52 -0.829 -6.092 -2.253 1.00 0.00 C ATOM 767 C ILE A 52 -0.078 -7.350 -2.694 1.00 0.00 C ATOM 768 O ILE A 52 -0.244 -8.416 -2.102 1.00 0.00 O ATOM 769 CB ILE A 52 -1.701 -5.480 -3.352 1.00 0.00 C ATOM 770 CG1 ILE A 52 -2.690 -4.469 -2.768 1.00 0.00 C ATOM 771 CG2 ILE A 52 -2.407 -6.570 -4.162 1.00 0.00 C ATOM 772 CD1 ILE A 52 -3.403 -3.695 -3.878 1.00 0.00 C ATOM 0 H ILE A 52 0.195 -4.264 -2.317 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.516 -6.392 -1.461 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.053 -4.936 -4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.425 -4.988 -2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.162 -3.773 -2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.020 -6.109 -4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.663 -7.218 -4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.041 -7.161 -3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.100 -2.983 -3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.668 -3.158 -4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.950 -4.391 -4.514 1.00 0.00 H new ATOM 784 N ASP A 53 0.732 -7.185 -3.729 1.00 0.00 N ATOM 785 CA ASP A 53 1.509 -8.294 -4.255 1.00 0.00 C ATOM 786 C ASP A 53 2.057 -9.125 -3.093 1.00 0.00 C ATOM 787 O ASP A 53 2.142 -10.348 -3.185 1.00 0.00 O ATOM 788 CB ASP A 53 2.697 -7.793 -5.079 1.00 0.00 C ATOM 789 CG ASP A 53 3.142 -8.727 -6.206 1.00 0.00 C ATOM 790 OD1 ASP A 53 2.260 -9.434 -6.739 1.00 0.00 O ATOM 791 OD2 ASP A 53 4.355 -8.712 -6.510 1.00 0.00 O ATOM 0 H ASP A 53 0.867 -6.300 -4.218 1.00 0.00 H new ATOM 0 HA ASP A 53 0.855 -8.891 -4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.439 -6.826 -5.510 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.541 -7.629 -4.409 1.00 0.00 H new ATOM 796 N GLN A 54 2.414 -8.426 -2.025 1.00 0.00 N ATOM 797 CA GLN A 54 2.951 -9.084 -0.846 1.00 0.00 C ATOM 798 C GLN A 54 1.895 -9.998 -0.221 1.00 0.00 C ATOM 799 O GLN A 54 2.006 -11.221 -0.294 1.00 0.00 O ATOM 800 CB GLN A 54 3.460 -8.059 0.170 1.00 0.00 C ATOM 801 CG GLN A 54 4.981 -7.916 0.089 1.00 0.00 C ATOM 802 CD GLN A 54 5.384 -6.978 -1.051 1.00 0.00 C ATOM 803 OE1 GLN A 54 4.556 -6.407 -1.741 1.00 0.00 O ATOM 804 NE2 GLN A 54 6.699 -6.854 -1.209 1.00 0.00 N ATOM 0 H GLN A 54 2.342 -7.411 -1.952 1.00 0.00 H new ATOM 0 HA GLN A 54 3.799 -9.697 -1.151 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.990 -7.093 -0.016 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.173 -8.365 1.176 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.364 -7.531 1.034 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.434 -8.895 -0.064 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.336 -7.361 -0.595 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.070 -6.252 -1.944 1.00 0.00 H new ATOM 813 N LEU A 55 0.896 -9.369 0.381 1.00 0.00 N ATOM 814 CA LEU A 55 -0.179 -10.111 1.019 1.00 0.00 C ATOM 815 C LEU A 55 -0.633 -11.240 0.092 1.00 0.00 C ATOM 816 O LEU A 55 -0.964 -12.331 0.553 1.00 0.00 O ATOM 817 CB LEU A 55 -1.307 -9.166 1.436 1.00 0.00 C ATOM 818 CG LEU A 55 -0.915 -8.030 2.383 1.00 0.00 C ATOM 819 CD1 LEU A 55 -2.017 -6.970 2.454 1.00 0.00 C ATOM 820 CD2 LEU A 55 -0.551 -8.571 3.767 1.00 0.00 C ATOM 0 H LEU A 55 0.808 -8.355 0.441 1.00 0.00 H new ATOM 0 HA LEU A 55 0.173 -10.576 1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.739 -8.729 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.090 -9.755 1.912 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.025 -7.544 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.713 -6.174 3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.186 -6.554 1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.938 -7.426 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.276 -7.743 4.421 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.407 -9.097 4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.290 -9.258 3.679 1.00 0.00 H new ATOM 832 N LEU A 56 -0.635 -10.939 -1.199 1.00 0.00 N ATOM 833 CA LEU A 56 -1.043 -11.915 -2.194 1.00 0.00 C ATOM 834 C LEU A 56 -0.275 -13.219 -1.969 1.00 0.00 C ATOM 835 O LEU A 56 -0.867 -14.242 -1.631 1.00 0.00 O ATOM 836 CB LEU A 56 -0.883 -11.342 -3.604 1.00 0.00 C ATOM 837 CG LEU A 56 -2.047 -10.493 -4.119 1.00 0.00 C ATOM 838 CD1 LEU A 56 -1.559 -9.446 -5.123 1.00 0.00 C ATOM 839 CD2 LEU A 56 -3.153 -11.375 -4.702 1.00 0.00 C ATOM 0 H LEU A 56 -0.360 -10.033 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.103 -12.147 -2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.022 -10.735 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.729 -12.170 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.477 -9.954 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.406 -8.856 -5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.834 -8.790 -4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.089 -9.946 -5.970 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.968 -10.747 -5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.753 -11.959 -5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.526 -12.048 -3.930 1.00 0.00 H new ATOM 851 N GLN A 57 1.033 -13.139 -2.166 1.00 0.00 N ATOM 852 CA GLN A 57 1.888 -14.300 -1.989 1.00 0.00 C ATOM 853 C GLN A 57 1.642 -14.937 -0.620 1.00 0.00 C ATOM 854 O GLN A 57 1.342 -16.126 -0.530 1.00 0.00 O ATOM 855 CB GLN A 57 3.362 -13.927 -2.163 1.00 0.00 C ATOM 856 CG GLN A 57 3.686 -13.643 -3.631 1.00 0.00 C ATOM 857 CD GLN A 57 4.653 -12.464 -3.761 1.00 0.00 C ATOM 858 OE1 GLN A 57 5.061 -11.852 -2.788 1.00 0.00 O ATOM 859 NE2 GLN A 57 4.996 -12.182 -5.015 1.00 0.00 N ATOM 0 H GLN A 57 1.521 -12.288 -2.446 1.00 0.00 H new ATOM 0 HA GLN A 57 1.639 -15.031 -2.758 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.592 -13.049 -1.560 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.992 -14.739 -1.798 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.125 -14.530 -4.088 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.767 -13.426 -4.175 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.617 -12.735 -5.784 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.638 -11.413 -5.208 1.00 0.00 H new ATOM 868 N MET A 58 1.778 -14.117 0.412 1.00 0.00 N ATOM 869 CA MET A 58 1.574 -14.585 1.772 1.00 0.00 C ATOM 870 C MET A 58 0.376 -15.534 1.851 1.00 0.00 C ATOM 871 O MET A 58 0.475 -16.617 2.426 1.00 0.00 O ATOM 872 CB MET A 58 1.339 -13.388 2.695 1.00 0.00 C ATOM 873 CG MET A 58 2.666 -12.796 3.174 1.00 0.00 C ATOM 874 SD MET A 58 2.364 -11.328 4.144 1.00 0.00 S ATOM 875 CE MET A 58 3.942 -10.511 3.969 1.00 0.00 C ATOM 0 H MET A 58 2.027 -13.131 0.333 1.00 0.00 H new ATOM 0 HA MET A 58 2.465 -15.128 2.087 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.765 -12.625 2.168 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.744 -13.698 3.554 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.208 -13.531 3.770 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.296 -12.553 2.318 1.00 0.00 H new ATOM 0 HE1 MET A 58 4.168 -9.958 4.881 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.719 -11.255 3.793 1.00 0.00 H new ATOM 0 HE3 MET A 58 3.903 -9.821 3.126 1.00 0.00 H new ATOM 885 N ASN A 59 -0.727 -15.093 1.266 1.00 0.00 N ATOM 886 CA ASN A 59 -1.943 -15.889 1.263 1.00 0.00 C ATOM 887 C ASN A 59 -1.814 -17.004 0.224 1.00 0.00 C ATOM 888 O ASN A 59 -2.126 -18.160 0.506 1.00 0.00 O ATOM 889 CB ASN A 59 -3.159 -15.037 0.895 1.00 0.00 C ATOM 890 CG ASN A 59 -4.380 -15.435 1.727 1.00 0.00 C ATOM 891 OD1 ASN A 59 -5.051 -16.419 1.460 1.00 0.00 O ATOM 892 ND2 ASN A 59 -4.628 -14.619 2.747 1.00 0.00 N ATOM 0 H ASN A 59 -0.805 -14.194 0.790 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.080 -16.299 2.264 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.932 -13.983 1.057 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.383 -15.155 -0.165 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.421 -14.799 3.363 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.026 -13.813 2.913 1.00 0.00 H new ATOM 899 N LEU A 60 -1.354 -16.618 -0.957 1.00 0.00 N ATOM 900 CA LEU A 60 -1.180 -17.571 -2.041 1.00 0.00 C ATOM 901 C LEU A 60 -0.422 -18.794 -1.522 1.00 0.00 C ATOM 902 O LEU A 60 -0.912 -19.918 -1.614 1.00 0.00 O ATOM 903 CB LEU A 60 -0.515 -16.899 -3.243 1.00 0.00 C ATOM 904 CG LEU A 60 0.709 -17.615 -3.819 1.00 0.00 C ATOM 905 CD1 LEU A 60 0.352 -19.032 -4.272 1.00 0.00 C ATOM 906 CD2 LEU A 60 1.344 -16.796 -4.945 1.00 0.00 C ATOM 0 H LEU A 60 -1.096 -15.658 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.148 -17.924 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.258 -16.797 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.219 -15.891 -2.953 1.00 0.00 H new ATOM 0 HG LEU A 60 1.454 -17.708 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.239 -19.519 -4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.019 -19.603 -3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.419 -18.985 -5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.211 -17.327 -5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.617 -16.650 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.657 -15.826 -4.558 1.00 0.00 H new ATOM 918 N GLU A 61 0.762 -18.534 -0.988 1.00 0.00 N ATOM 919 CA GLU A 61 1.594 -19.599 -0.454 1.00 0.00 C ATOM 920 C GLU A 61 1.120 -19.990 0.947 1.00 0.00 C ATOM 921 O GLU A 61 1.420 -19.302 1.922 1.00 0.00 O ATOM 922 CB GLU A 61 3.068 -19.190 -0.441 1.00 0.00 C ATOM 923 CG GLU A 61 3.707 -19.400 -1.815 1.00 0.00 C ATOM 924 CD GLU A 61 4.907 -20.345 -1.724 1.00 0.00 C ATOM 925 OE1 GLU A 61 4.666 -21.571 -1.755 1.00 0.00 O ATOM 926 OE2 GLU A 61 6.037 -19.821 -1.625 1.00 0.00 O ATOM 0 H GLU A 61 1.166 -17.600 -0.914 1.00 0.00 H new ATOM 0 HA GLU A 61 1.499 -20.469 -1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.156 -18.143 -0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.605 -19.774 0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.969 -19.810 -2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.026 -18.440 -2.222 1.00 0.00 H new ATOM 933 N SER A 62 0.390 -21.094 1.004 1.00 0.00 N ATOM 934 CA SER A 62 -0.128 -21.584 2.270 1.00 0.00 C ATOM 935 C SER A 62 -0.967 -22.843 2.040 1.00 0.00 C ATOM 936 O SER A 62 -0.682 -23.896 2.608 1.00 0.00 O ATOM 937 CB SER A 62 -0.960 -20.513 2.977 1.00 0.00 C ATOM 938 OG SER A 62 -1.774 -21.064 4.010 1.00 0.00 O ATOM 0 H SER A 62 0.145 -21.663 0.194 1.00 0.00 H new ATOM 0 HA SER A 62 0.717 -21.831 2.913 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.296 -19.760 3.402 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.593 -20.006 2.249 1.00 0.00 H new ATOM 0 HG SER A 62 -2.288 -20.348 4.438 1.00 0.00 H new ATOM 944 N GLY A 63 -1.985 -22.692 1.206 1.00 0.00 N ATOM 945 CA GLY A 63 -2.868 -23.803 0.894 1.00 0.00 C ATOM 946 C GLY A 63 -3.555 -23.595 -0.458 1.00 0.00 C ATOM 947 O GLY A 63 -2.965 -23.030 -1.377 1.00 0.00 O ATOM 0 H GLY A 63 -2.218 -21.817 0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.298 -24.732 0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.620 -23.905 1.676 1.00 0.00 H new ATOM 951 N PRO A 64 -4.825 -24.075 -0.537 1.00 0.00 N ATOM 952 CA PRO A 64 -5.598 -23.948 -1.761 1.00 0.00 C ATOM 953 C PRO A 64 -6.092 -22.512 -1.950 1.00 0.00 C ATOM 954 O PRO A 64 -6.409 -21.828 -0.978 1.00 0.00 O ATOM 955 CB PRO A 64 -6.730 -24.951 -1.617 1.00 0.00 C ATOM 956 CG PRO A 64 -6.819 -25.269 -0.133 1.00 0.00 C ATOM 957 CD PRO A 64 -5.555 -24.750 0.532 1.00 0.00 C ATOM 0 HA PRO A 64 -5.010 -24.157 -2.654 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.669 -24.536 -1.984 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.530 -25.851 -2.198 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.701 -24.801 0.305 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.918 -26.343 0.022 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.789 -24.064 1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.969 -25.564 0.959 1.00 0.00 H new ATOM 965 N SER A 65 -6.141 -22.098 -3.207 1.00 0.00 N ATOM 966 CA SER A 65 -6.591 -20.756 -3.536 1.00 0.00 C ATOM 967 C SER A 65 -6.553 -20.548 -5.052 1.00 0.00 C ATOM 968 O SER A 65 -7.571 -20.226 -5.663 1.00 0.00 O ATOM 969 CB SER A 65 -5.735 -19.700 -2.834 1.00 0.00 C ATOM 970 OG SER A 65 -4.342 -19.910 -3.054 1.00 0.00 O ATOM 0 H SER A 65 -5.877 -22.668 -4.010 1.00 0.00 H new ATOM 0 HA SER A 65 -7.617 -20.644 -3.186 1.00 0.00 H new ATOM 0 HB2 SER A 65 -6.014 -18.710 -3.194 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.940 -19.720 -1.764 1.00 0.00 H new ATOM 0 HG SER A 65 -3.825 -19.318 -2.468 1.00 0.00 H new ATOM 976 N SER A 66 -5.369 -20.741 -5.614 1.00 0.00 N ATOM 977 CA SER A 66 -5.185 -20.578 -7.046 1.00 0.00 C ATOM 978 C SER A 66 -3.813 -21.113 -7.462 1.00 0.00 C ATOM 979 O SER A 66 -2.966 -21.385 -6.613 1.00 0.00 O ATOM 980 CB SER A 66 -5.330 -19.112 -7.457 1.00 0.00 C ATOM 981 OG SER A 66 -5.865 -18.976 -8.771 1.00 0.00 O ATOM 0 H SER A 66 -4.527 -21.009 -5.104 1.00 0.00 H new ATOM 0 HA SER A 66 -5.960 -21.149 -7.557 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.978 -18.599 -6.747 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.356 -18.624 -7.410 1.00 0.00 H new ATOM 0 HG SER A 66 -5.944 -18.025 -8.995 1.00 0.00 H new ATOM 987 N GLY A 67 -3.637 -21.249 -8.768 1.00 0.00 N ATOM 988 CA GLY A 67 -2.383 -21.746 -9.306 1.00 0.00 C ATOM 989 C GLY A 67 -1.344 -20.627 -9.400 1.00 0.00 C ATOM 990 O GLY A 67 -1.670 -19.503 -9.779 1.00 0.00 O ATOM 0 H GLY A 67 -4.342 -21.023 -9.469 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.003 -22.547 -8.672 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.552 -22.174 -10.294 1.00 0.00 H new TER 994 GLY A 67