USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 571 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 14 GLN : amide:sc= 0.649 K(o=0.41,f=-2.8) USER MOD Set 1.2: A 18 ASN : amide:sc= -0.238 K(o=0.41,f=-3) USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0893 (180deg=-0.504) USER MOD Single : A 1 MET N :NH3+ -166:sc=-0.00958 (180deg=-0.2) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.101 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -31:sc= 1.19 USER MOD Single : A 17 GLN : amide:sc= -2.9 K(o=-2.9,f=-3.6!) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.2) USER MOD Single : A 27 THR OG1 : rot 70:sc= 1.18 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0442 X(o=-0.044,f=-0.047) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 49 HIS : no HE2:sc= 0.913 K(o=0.91,f=-2.8!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.565 K(o=-0.57,f=-0.0077) USER MOD Single : A 61 LYS NZ :NH3+ -170:sc=-0.00892 (180deg=-0.111) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.797 1.233 2.218 1.00 15.45 N ATOM 2 CA MET A 1 -18.727 0.318 1.500 1.00 12.23 C ATOM 3 C MET A 1 -17.961 -0.802 0.774 1.00 52.44 C ATOM 4 O MET A 1 -16.960 -0.549 0.103 1.00 21.10 O ATOM 5 CB MET A 1 -19.577 1.107 0.492 1.00 31.02 C ATOM 6 CG MET A 1 -20.513 2.128 1.130 1.00 23.20 C ATOM 7 SD MET A 1 -21.421 3.108 -0.085 1.00 13.13 S ATOM 8 CE MET A 1 -22.346 1.832 -0.944 1.00 45.42 C ATOM 0 H1 MET A 1 -18.336 1.825 2.882 1.00 15.45 H new ATOM 0 H2 MET A 1 -17.096 0.673 2.744 1.00 15.45 H new ATOM 0 H3 MET A 1 -17.308 1.841 1.530 1.00 15.45 H new ATOM 0 HA MET A 1 -19.381 -0.142 2.241 1.00 12.23 H new ATOM 0 HB2 MET A 1 -18.913 1.623 -0.202 1.00 31.02 H new ATOM 0 HB3 MET A 1 -20.169 0.405 -0.096 1.00 31.02 H new ATOM 0 HG2 MET A 1 -21.223 1.609 1.774 1.00 23.20 H new ATOM 0 HG3 MET A 1 -19.933 2.796 1.767 1.00 23.20 H new ATOM 0 HE1 MET A 1 -23.162 2.289 -1.503 1.00 45.42 H new ATOM 0 HE2 MET A 1 -21.685 1.304 -1.632 1.00 45.42 H new ATOM 0 HE3 MET A 1 -22.753 1.127 -0.219 1.00 45.42 H new ATOM 20 N SER A 2 -18.427 -2.045 0.935 1.00 23.54 N ATOM 21 CA SER A 2 -17.851 -3.210 0.234 1.00 53.22 C ATOM 22 C SER A 2 -16.340 -3.389 0.492 1.00 22.43 C ATOM 23 O SER A 2 -15.658 -4.081 -0.268 1.00 23.53 O ATOM 24 CB SER A 2 -18.109 -3.102 -1.279 1.00 2.54 C ATOM 25 OG SER A 2 -19.499 -3.105 -1.570 1.00 44.30 O ATOM 0 H SER A 2 -19.208 -2.277 1.549 1.00 23.54 H new ATOM 0 HA SER A 2 -18.350 -4.091 0.639 1.00 53.22 H new ATOM 0 HB2 SER A 2 -17.658 -2.187 -1.662 1.00 2.54 H new ATOM 0 HB3 SER A 2 -17.627 -3.934 -1.792 1.00 2.54 H new ATOM 0 HG SER A 2 -19.631 -3.034 -2.538 1.00 44.30 H new ATOM 31 N GLU A 3 -15.821 -2.773 1.563 1.00 34.42 N ATOM 32 CA GLU A 3 -14.398 -2.904 1.930 1.00 41.30 C ATOM 33 C GLU A 3 -13.474 -2.420 0.784 1.00 33.32 C ATOM 34 O GLU A 3 -12.316 -2.833 0.671 1.00 32.44 O ATOM 35 CB GLU A 3 -14.102 -4.373 2.306 1.00 12.21 C ATOM 36 CG GLU A 3 -12.731 -4.605 2.937 1.00 54.12 C ATOM 37 CD GLU A 3 -12.496 -6.059 3.316 1.00 51.53 C ATOM 38 OE1 GLU A 3 -12.073 -6.849 2.446 1.00 1.44 O ATOM 39 OE2 GLU A 3 -12.728 -6.422 4.489 1.00 1.34 O ATOM 0 H GLU A 3 -16.362 -2.179 2.192 1.00 34.42 H new ATOM 0 HA GLU A 3 -14.194 -2.268 2.792 1.00 41.30 H new ATOM 0 HB2 GLU A 3 -14.869 -4.718 2.999 1.00 12.21 H new ATOM 0 HB3 GLU A 3 -14.183 -4.987 1.409 1.00 12.21 H new ATOM 0 HG2 GLU A 3 -11.956 -4.286 2.240 1.00 54.12 H new ATOM 0 HG3 GLU A 3 -12.635 -3.982 3.826 1.00 54.12 H new ATOM 46 N SER A 4 -13.995 -1.500 -0.035 1.00 33.02 N ATOM 47 CA SER A 4 -13.302 -1.013 -1.244 1.00 55.35 C ATOM 48 C SER A 4 -11.853 -0.575 -0.978 1.00 42.31 C ATOM 49 O SER A 4 -10.922 -1.098 -1.586 1.00 64.41 O ATOM 50 CB SER A 4 -14.081 0.161 -1.855 1.00 63.53 C ATOM 51 OG SER A 4 -14.254 1.213 -0.912 1.00 12.43 O ATOM 0 H SER A 4 -14.907 -1.069 0.117 1.00 33.02 H new ATOM 0 HA SER A 4 -13.262 -1.853 -1.938 1.00 55.35 H new ATOM 0 HB2 SER A 4 -13.550 0.537 -2.729 1.00 63.53 H new ATOM 0 HB3 SER A 4 -15.055 -0.186 -2.199 1.00 63.53 H new ATOM 0 HG SER A 4 -14.752 1.947 -1.329 1.00 12.43 H new ATOM 57 N ILE A 5 -11.672 0.379 -0.065 1.00 42.35 N ATOM 58 CA ILE A 5 -10.348 0.964 0.219 1.00 21.13 C ATOM 59 C ILE A 5 -9.260 -0.104 0.454 1.00 63.31 C ATOM 60 O ILE A 5 -8.134 0.030 -0.031 1.00 4.33 O ATOM 61 CB ILE A 5 -10.414 1.911 1.447 1.00 44.40 C ATOM 62 CG1 ILE A 5 -11.396 3.068 1.182 1.00 74.15 C ATOM 63 CG2 ILE A 5 -9.027 2.453 1.803 1.00 24.51 C ATOM 64 CD1 ILE A 5 -11.017 3.947 0.006 1.00 12.44 C ATOM 0 H ILE A 5 -12.427 0.770 0.498 1.00 42.35 H new ATOM 0 HA ILE A 5 -10.070 1.531 -0.670 1.00 21.13 H new ATOM 0 HB ILE A 5 -10.776 1.334 2.298 1.00 44.40 H new ATOM 0 HG12 ILE A 5 -12.389 2.654 1.007 1.00 74.15 H new ATOM 0 HG13 ILE A 5 -11.462 3.686 2.077 1.00 74.15 H new ATOM 0 HG21 ILE A 5 -9.105 3.113 2.667 1.00 24.51 H new ATOM 0 HG22 ILE A 5 -8.362 1.623 2.040 1.00 24.51 H new ATOM 0 HG23 ILE A 5 -8.625 3.010 0.956 1.00 24.51 H new ATOM 0 HD11 ILE A 5 -11.759 4.736 -0.112 1.00 12.44 H new ATOM 0 HD12 ILE A 5 -10.039 4.393 0.185 1.00 12.44 H new ATOM 0 HD13 ILE A 5 -10.980 3.345 -0.902 1.00 12.44 H new ATOM 76 N VAL A 6 -9.604 -1.164 1.183 1.00 50.24 N ATOM 77 CA VAL A 6 -8.644 -2.235 1.487 1.00 3.41 C ATOM 78 C VAL A 6 -8.156 -2.941 0.209 1.00 71.14 C ATOM 79 O VAL A 6 -6.955 -2.975 -0.079 1.00 42.34 O ATOM 80 CB VAL A 6 -9.258 -3.280 2.451 1.00 15.21 C ATOM 81 CG1 VAL A 6 -8.261 -4.398 2.758 1.00 53.10 C ATOM 82 CG2 VAL A 6 -9.733 -2.607 3.740 1.00 65.24 C ATOM 0 H VAL A 6 -10.535 -1.308 1.575 1.00 50.24 H new ATOM 0 HA VAL A 6 -7.789 -1.763 1.971 1.00 3.41 H new ATOM 0 HB VAL A 6 -10.121 -3.729 1.959 1.00 15.21 H new ATOM 0 HG11 VAL A 6 -8.719 -5.117 3.437 1.00 53.10 H new ATOM 0 HG12 VAL A 6 -7.981 -4.900 1.832 1.00 53.10 H new ATOM 0 HG13 VAL A 6 -7.371 -3.974 3.224 1.00 53.10 H new ATOM 0 HG21 VAL A 6 -10.162 -3.357 4.405 1.00 65.24 H new ATOM 0 HG22 VAL A 6 -8.888 -2.126 4.232 1.00 65.24 H new ATOM 0 HG23 VAL A 6 -10.489 -1.858 3.502 1.00 65.24 H new ATOM 92 N THR A 7 -9.093 -3.492 -0.564 1.00 75.41 N ATOM 93 CA THR A 7 -8.755 -4.188 -1.816 1.00 44.23 C ATOM 94 C THR A 7 -8.121 -3.226 -2.836 1.00 50.54 C ATOM 95 O THR A 7 -7.231 -3.608 -3.602 1.00 75.42 O ATOM 96 CB THR A 7 -10.004 -4.858 -2.444 1.00 70.34 C ATOM 97 OG1 THR A 7 -10.615 -5.751 -1.496 1.00 51.31 O ATOM 98 CG2 THR A 7 -9.641 -5.637 -3.705 1.00 40.23 C ATOM 0 H THR A 7 -10.090 -3.472 -0.350 1.00 75.41 H new ATOM 0 HA THR A 7 -8.030 -4.962 -1.563 1.00 44.23 H new ATOM 0 HB THR A 7 -10.704 -4.067 -2.713 1.00 70.34 H new ATOM 0 HG1 THR A 7 -11.404 -6.168 -1.901 1.00 51.31 H new ATOM 0 HG21 THR A 7 -10.539 -6.095 -4.121 1.00 40.23 H new ATOM 0 HG22 THR A 7 -9.206 -4.959 -4.439 1.00 40.23 H new ATOM 0 HG23 THR A 7 -8.919 -6.415 -3.457 1.00 40.23 H new ATOM 106 N LYS A 8 -8.576 -1.976 -2.826 1.00 24.32 N ATOM 107 CA LYS A 8 -8.028 -0.932 -3.696 1.00 30.21 C ATOM 108 C LYS A 8 -6.513 -0.787 -3.488 1.00 34.02 C ATOM 109 O LYS A 8 -5.732 -0.863 -4.438 1.00 40.45 O ATOM 110 CB LYS A 8 -8.734 0.405 -3.413 1.00 33.23 C ATOM 111 CG LYS A 8 -8.269 1.559 -4.295 1.00 74.51 C ATOM 112 CD LYS A 8 -8.527 1.278 -5.773 1.00 10.32 C ATOM 113 CE LYS A 8 -8.049 2.421 -6.660 1.00 54.23 C ATOM 114 NZ LYS A 8 -8.232 2.118 -8.104 1.00 74.22 N ATOM 0 H LYS A 8 -9.331 -1.656 -2.219 1.00 24.32 H new ATOM 0 HA LYS A 8 -8.202 -1.217 -4.733 1.00 30.21 H new ATOM 0 HB2 LYS A 8 -9.807 0.271 -3.546 1.00 33.23 H new ATOM 0 HB3 LYS A 8 -8.573 0.673 -2.369 1.00 33.23 H new ATOM 0 HG2 LYS A 8 -8.787 2.472 -4.002 1.00 74.51 H new ATOM 0 HG3 LYS A 8 -7.204 1.732 -4.138 1.00 74.51 H new ATOM 0 HD2 LYS A 8 -8.019 0.358 -6.062 1.00 10.32 H new ATOM 0 HD3 LYS A 8 -9.593 1.117 -5.931 1.00 10.32 H new ATOM 0 HE2 LYS A 8 -8.596 3.329 -6.408 1.00 54.23 H new ATOM 0 HE3 LYS A 8 -6.996 2.618 -6.461 1.00 54.23 H new ATOM 0 HZ1 LYS A 8 -7.894 2.921 -8.673 1.00 74.22 H new ATOM 0 HZ2 LYS A 8 -7.689 1.266 -8.351 1.00 74.22 H new ATOM 0 HZ3 LYS A 8 -9.240 1.955 -8.299 1.00 74.22 H new ATOM 128 N ILE A 9 -6.110 -0.602 -2.236 1.00 45.54 N ATOM 129 CA ILE A 9 -4.694 -0.459 -1.885 1.00 21.11 C ATOM 130 C ILE A 9 -3.869 -1.693 -2.302 1.00 53.02 C ATOM 131 O ILE A 9 -2.807 -1.563 -2.913 1.00 61.53 O ATOM 132 CB ILE A 9 -4.529 -0.208 -0.363 1.00 21.15 C ATOM 133 CG1 ILE A 9 -5.147 1.150 0.019 1.00 55.33 C ATOM 134 CG2 ILE A 9 -3.059 -0.278 0.053 1.00 61.34 C ATOM 135 CD1 ILE A 9 -5.035 1.488 1.490 1.00 1.22 C ATOM 0 H ILE A 9 -6.745 -0.547 -1.440 1.00 45.54 H new ATOM 0 HA ILE A 9 -4.315 0.402 -2.436 1.00 21.11 H new ATOM 0 HB ILE A 9 -5.058 -0.995 0.175 1.00 21.15 H new ATOM 0 HG12 ILE A 9 -4.661 1.934 -0.561 1.00 55.33 H new ATOM 0 HG13 ILE A 9 -6.200 1.150 -0.264 1.00 55.33 H new ATOM 0 HG21 ILE A 9 -2.975 -0.098 1.125 1.00 61.34 H new ATOM 0 HG22 ILE A 9 -2.661 -1.265 -0.181 1.00 61.34 H new ATOM 0 HG23 ILE A 9 -2.491 0.480 -0.488 1.00 61.34 H new ATOM 0 HD11 ILE A 9 -5.494 2.459 1.676 1.00 1.22 H new ATOM 0 HD12 ILE A 9 -5.547 0.726 2.078 1.00 1.22 H new ATOM 0 HD13 ILE A 9 -3.984 1.522 1.776 1.00 1.22 H new ATOM 147 N ILE A 10 -4.370 -2.887 -1.982 1.00 54.21 N ATOM 148 CA ILE A 10 -3.658 -4.136 -2.293 1.00 34.44 C ATOM 149 C ILE A 10 -3.428 -4.311 -3.809 1.00 5.52 C ATOM 150 O ILE A 10 -2.335 -4.692 -4.240 1.00 21.14 O ATOM 151 CB ILE A 10 -4.411 -5.369 -1.724 1.00 4.41 C ATOM 152 CG1 ILE A 10 -4.537 -5.250 -0.193 1.00 3.11 C ATOM 153 CG2 ILE A 10 -3.698 -6.666 -2.110 1.00 20.35 C ATOM 154 CD1 ILE A 10 -5.256 -6.414 0.463 1.00 54.11 C ATOM 0 H ILE A 10 -5.264 -3.020 -1.509 1.00 54.21 H new ATOM 0 HA ILE A 10 -2.682 -4.067 -1.812 1.00 34.44 H new ATOM 0 HB ILE A 10 -5.412 -5.396 -2.155 1.00 4.41 H new ATOM 0 HG12 ILE A 10 -3.539 -5.165 0.237 1.00 3.11 H new ATOM 0 HG13 ILE A 10 -5.067 -4.328 0.046 1.00 3.11 H new ATOM 0 HG21 ILE A 10 -4.243 -7.517 -1.701 1.00 20.35 H new ATOM 0 HG22 ILE A 10 -3.657 -6.750 -3.196 1.00 20.35 H new ATOM 0 HG23 ILE A 10 -2.685 -6.657 -1.709 1.00 20.35 H new ATOM 0 HD11 ILE A 10 -5.302 -6.253 1.540 1.00 54.11 H new ATOM 0 HD12 ILE A 10 -6.267 -6.489 0.064 1.00 54.11 H new ATOM 0 HD13 ILE A 10 -4.716 -7.338 0.257 1.00 54.11 H new ATOM 166 N SER A 11 -4.450 -4.015 -4.615 1.00 60.23 N ATOM 167 CA SER A 11 -4.328 -4.101 -6.085 1.00 11.10 C ATOM 168 C SER A 11 -3.242 -3.153 -6.607 1.00 30.14 C ATOM 169 O SER A 11 -2.515 -3.483 -7.543 1.00 32.02 O ATOM 170 CB SER A 11 -5.665 -3.774 -6.770 1.00 1.52 C ATOM 171 OG SER A 11 -6.014 -2.407 -6.606 1.00 34.40 O ATOM 0 H SER A 11 -5.367 -3.715 -4.285 1.00 60.23 H new ATOM 0 HA SER A 11 -4.047 -5.126 -6.326 1.00 11.10 H new ATOM 0 HB2 SER A 11 -5.597 -4.008 -7.832 1.00 1.52 H new ATOM 0 HB3 SER A 11 -6.452 -4.404 -6.354 1.00 1.52 H new ATOM 0 HG SER A 11 -5.662 -2.080 -5.752 1.00 34.40 H new ATOM 177 N ILE A 12 -3.132 -1.980 -5.988 1.00 21.01 N ATOM 178 CA ILE A 12 -2.092 -1.006 -6.339 1.00 43.01 C ATOM 179 C ILE A 12 -0.683 -1.552 -6.040 1.00 70.15 C ATOM 180 O ILE A 12 0.253 -1.366 -6.825 1.00 1.24 O ATOM 181 CB ILE A 12 -2.310 0.324 -5.575 1.00 44.32 C ATOM 182 CG1 ILE A 12 -3.689 0.912 -5.916 1.00 41.03 C ATOM 183 CG2 ILE A 12 -1.205 1.327 -5.903 1.00 4.31 C ATOM 184 CD1 ILE A 12 -4.105 2.057 -5.018 1.00 71.14 C ATOM 0 H ILE A 12 -3.752 -1.677 -5.237 1.00 21.01 H new ATOM 0 HA ILE A 12 -2.168 -0.821 -7.411 1.00 43.01 H new ATOM 0 HB ILE A 12 -2.272 0.116 -4.506 1.00 44.32 H new ATOM 0 HG12 ILE A 12 -3.680 1.258 -6.950 1.00 41.03 H new ATOM 0 HG13 ILE A 12 -4.437 0.122 -5.851 1.00 41.03 H new ATOM 0 HG21 ILE A 12 -1.380 2.253 -5.355 1.00 4.31 H new ATOM 0 HG22 ILE A 12 -0.239 0.911 -5.615 1.00 4.31 H new ATOM 0 HG23 ILE A 12 -1.207 1.533 -6.973 1.00 4.31 H new ATOM 0 HD11 ILE A 12 -5.088 2.418 -5.321 1.00 71.14 H new ATOM 0 HD12 ILE A 12 -4.148 1.712 -3.985 1.00 71.14 H new ATOM 0 HD13 ILE A 12 -3.380 2.866 -5.101 1.00 71.14 H new ATOM 196 N VAL A 13 -0.540 -2.236 -4.904 1.00 20.23 N ATOM 197 CA VAL A 13 0.737 -2.857 -4.533 1.00 53.23 C ATOM 198 C VAL A 13 1.154 -3.918 -5.569 1.00 52.21 C ATOM 199 O VAL A 13 2.269 -3.884 -6.097 1.00 53.31 O ATOM 200 CB VAL A 13 0.668 -3.506 -3.126 1.00 30.22 C ATOM 201 CG1 VAL A 13 2.021 -4.102 -2.733 1.00 43.03 C ATOM 202 CG2 VAL A 13 0.199 -2.489 -2.084 1.00 5.24 C ATOM 0 H VAL A 13 -1.289 -2.375 -4.225 1.00 20.23 H new ATOM 0 HA VAL A 13 1.484 -2.063 -4.512 1.00 53.23 H new ATOM 0 HB VAL A 13 -0.059 -4.317 -3.162 1.00 30.22 H new ATOM 0 HG11 VAL A 13 1.947 -4.551 -1.743 1.00 43.03 H new ATOM 0 HG12 VAL A 13 2.307 -4.865 -3.457 1.00 43.03 H new ATOM 0 HG13 VAL A 13 2.775 -3.315 -2.719 1.00 43.03 H new ATOM 0 HG21 VAL A 13 0.158 -2.965 -1.104 1.00 5.24 H new ATOM 0 HG22 VAL A 13 0.897 -1.653 -2.052 1.00 5.24 H new ATOM 0 HG23 VAL A 13 -0.792 -2.124 -2.352 1.00 5.24 H new ATOM 212 N GLN A 14 0.239 -4.850 -5.867 1.00 22.52 N ATOM 213 CA GLN A 14 0.478 -5.877 -6.894 1.00 51.42 C ATOM 214 C GLN A 14 0.750 -5.230 -8.263 1.00 10.11 C ATOM 215 O GLN A 14 1.621 -5.668 -9.005 1.00 61.53 O ATOM 216 CB GLN A 14 -0.727 -6.827 -6.995 1.00 74.31 C ATOM 217 CG GLN A 14 -0.533 -7.976 -7.986 1.00 71.42 C ATOM 218 CD GLN A 14 0.504 -8.995 -7.530 1.00 3.15 C ATOM 219 OE1 GLN A 14 0.679 -9.239 -6.342 1.00 45.34 O ATOM 220 NE2 GLN A 14 1.205 -9.593 -8.472 1.00 21.41 N ATOM 0 H GLN A 14 -0.672 -4.915 -5.413 1.00 22.52 H new ATOM 0 HA GLN A 14 1.358 -6.449 -6.599 1.00 51.42 H new ATOM 0 HB2 GLN A 14 -0.932 -7.243 -6.009 1.00 74.31 H new ATOM 0 HB3 GLN A 14 -1.606 -6.253 -7.288 1.00 74.31 H new ATOM 0 HG2 GLN A 14 -1.487 -8.481 -8.137 1.00 71.42 H new ATOM 0 HG3 GLN A 14 -0.232 -7.568 -8.951 1.00 71.42 H new ATOM 0 HE21 GLN A 14 1.037 -9.369 -9.453 1.00 21.41 H new ATOM 0 HE22 GLN A 14 1.916 -10.280 -8.220 1.00 21.41 H new ATOM 229 N GLU A 15 -0.009 -4.179 -8.573 1.00 14.30 N ATOM 230 CA GLU A 15 0.154 -3.404 -9.813 1.00 33.12 C ATOM 231 C GLU A 15 1.630 -3.036 -10.070 1.00 65.41 C ATOM 232 O GLU A 15 2.202 -3.364 -11.119 1.00 4.43 O ATOM 233 CB GLU A 15 -0.715 -2.135 -9.715 1.00 23.22 C ATOM 234 CG GLU A 15 -0.425 -1.053 -10.758 1.00 40.10 C ATOM 235 CD GLU A 15 -0.672 -1.490 -12.193 1.00 23.54 C ATOM 236 OE1 GLU A 15 -1.733 -2.086 -12.469 1.00 24.15 O ATOM 237 OE2 GLU A 15 0.182 -1.208 -13.059 1.00 25.10 O ATOM 0 H GLU A 15 -0.758 -3.836 -7.972 1.00 14.30 H new ATOM 0 HA GLU A 15 -0.168 -4.014 -10.657 1.00 33.12 H new ATOM 0 HB2 GLU A 15 -1.762 -2.426 -9.801 1.00 23.22 H new ATOM 0 HB3 GLU A 15 -0.584 -1.703 -8.723 1.00 23.22 H new ATOM 0 HG2 GLU A 15 -1.044 -0.182 -10.543 1.00 40.10 H new ATOM 0 HG3 GLU A 15 0.614 -0.738 -10.659 1.00 40.10 H new ATOM 244 N ARG A 16 2.251 -2.370 -9.100 1.00 20.01 N ATOM 245 CA ARG A 16 3.654 -1.959 -9.221 1.00 2.41 C ATOM 246 C ARG A 16 4.592 -3.175 -9.334 1.00 24.52 C ATOM 247 O ARG A 16 5.565 -3.153 -10.089 1.00 3.12 O ATOM 248 CB ARG A 16 4.052 -1.090 -8.022 1.00 33.20 C ATOM 249 CG ARG A 16 3.189 0.160 -7.830 1.00 21.33 C ATOM 250 CD ARG A 16 3.358 1.180 -8.961 1.00 30.25 C ATOM 251 NE ARG A 16 2.612 0.830 -10.173 1.00 73.21 N ATOM 252 CZ ARG A 16 2.045 1.714 -10.954 1.00 3.41 C ATOM 253 NH1 ARG A 16 2.072 2.977 -10.648 1.00 62.41 N ATOM 254 NH2 ARG A 16 1.424 1.334 -12.028 1.00 52.45 N ATOM 0 H ARG A 16 1.809 -2.102 -8.221 1.00 20.01 H new ATOM 0 HA ARG A 16 3.756 -1.377 -10.137 1.00 2.41 H new ATOM 0 HB2 ARG A 16 3.999 -1.695 -7.117 1.00 33.20 H new ATOM 0 HB3 ARG A 16 5.091 -0.784 -8.140 1.00 33.20 H new ATOM 0 HG2 ARG A 16 2.141 -0.134 -7.766 1.00 21.33 H new ATOM 0 HG3 ARG A 16 3.446 0.631 -6.881 1.00 21.33 H new ATOM 0 HD2 ARG A 16 3.030 2.159 -8.611 1.00 30.25 H new ATOM 0 HD3 ARG A 16 4.416 1.268 -9.207 1.00 30.25 H new ATOM 0 HE ARG A 16 2.530 -0.156 -10.421 1.00 73.21 H new ATOM 0 HH11 ARG A 16 2.537 3.285 -9.794 1.00 62.41 H new ATOM 0 HH12 ARG A 16 1.628 3.660 -11.262 1.00 62.41 H new ATOM 0 HH21 ARG A 16 1.376 0.343 -12.266 1.00 52.45 H new ATOM 0 HH22 ARG A 16 0.983 2.026 -12.634 1.00 52.45 H new ATOM 268 N GLN A 17 4.278 -4.241 -8.598 1.00 23.42 N ATOM 269 CA GLN A 17 5.097 -5.461 -8.613 1.00 40.23 C ATOM 270 C GLN A 17 4.807 -6.334 -9.848 1.00 31.23 C ATOM 271 O GLN A 17 5.557 -7.258 -10.157 1.00 21.11 O ATOM 272 CB GLN A 17 4.887 -6.260 -7.320 1.00 24.33 C ATOM 273 CG GLN A 17 5.259 -5.475 -6.067 1.00 75.42 C ATOM 274 CD GLN A 17 5.092 -6.271 -4.786 1.00 41.34 C ATOM 275 OE1 GLN A 17 5.261 -7.482 -4.762 1.00 50.04 O ATOM 276 NE2 GLN A 17 4.752 -5.594 -3.707 1.00 11.25 N ATOM 0 H GLN A 17 3.465 -4.288 -7.984 1.00 23.42 H new ATOM 0 HA GLN A 17 6.142 -5.156 -8.673 1.00 40.23 H new ATOM 0 HB2 GLN A 17 3.843 -6.566 -7.254 1.00 24.33 H new ATOM 0 HB3 GLN A 17 5.484 -7.171 -7.362 1.00 24.33 H new ATOM 0 HG2 GLN A 17 6.294 -5.144 -6.148 1.00 75.42 H new ATOM 0 HG3 GLN A 17 4.642 -4.578 -6.012 1.00 75.42 H new ATOM 0 HE21 GLN A 17 4.618 -4.584 -3.760 1.00 11.25 H new ATOM 0 HE22 GLN A 17 4.623 -6.080 -2.820 1.00 11.25 H new ATOM 285 N ASN A 18 3.709 -6.050 -10.549 1.00 22.12 N ATOM 286 CA ASN A 18 3.450 -6.671 -11.852 1.00 2.33 C ATOM 287 C ASN A 18 4.384 -6.071 -12.910 1.00 62.32 C ATOM 288 O ASN A 18 4.840 -6.764 -13.821 1.00 13.51 O ATOM 289 CB ASN A 18 1.985 -6.489 -12.275 1.00 23.21 C ATOM 290 CG ASN A 18 1.028 -7.350 -11.467 1.00 12.34 C ATOM 291 OD1 ASN A 18 1.372 -8.438 -11.023 1.00 43.34 O ATOM 292 ND2 ASN A 18 -0.189 -6.878 -11.281 1.00 22.12 N ATOM 0 H ASN A 18 2.988 -5.398 -10.240 1.00 22.12 H new ATOM 0 HA ASN A 18 3.643 -7.740 -11.764 1.00 2.33 H new ATOM 0 HB2 ASN A 18 1.707 -5.441 -12.163 1.00 23.21 H new ATOM 0 HB3 ASN A 18 1.883 -6.735 -13.332 1.00 23.21 H new ATOM 0 HD21 ASN A 18 -0.872 -7.423 -10.755 1.00 22.12 H new ATOM 0 HD22 ASN A 18 -0.447 -5.968 -11.663 1.00 22.12 H new ATOM 299 N MET A 19 4.655 -4.770 -12.776 1.00 34.54 N ATOM 300 CA MET A 19 5.659 -4.100 -13.613 1.00 20.33 C ATOM 301 C MET A 19 7.072 -4.618 -13.295 1.00 20.43 C ATOM 302 O MET A 19 7.768 -5.144 -14.166 1.00 43.21 O ATOM 303 CB MET A 19 5.598 -2.579 -13.405 1.00 53.00 C ATOM 304 CG MET A 19 4.299 -1.954 -13.890 1.00 63.15 C ATOM 305 SD MET A 19 4.053 -2.188 -15.661 1.00 52.34 S ATOM 306 CE MET A 19 2.492 -1.345 -15.902 1.00 5.30 C ATOM 0 H MET A 19 4.196 -4.160 -12.099 1.00 34.54 H new ATOM 0 HA MET A 19 5.436 -4.325 -14.656 1.00 20.33 H new ATOM 0 HB2 MET A 19 5.724 -2.360 -12.345 1.00 53.00 H new ATOM 0 HB3 MET A 19 6.434 -2.114 -13.929 1.00 53.00 H new ATOM 0 HG2 MET A 19 3.462 -2.392 -13.347 1.00 63.15 H new ATOM 0 HG3 MET A 19 4.303 -0.888 -13.663 1.00 63.15 H new ATOM 0 HE1 MET A 19 2.205 -1.403 -16.952 1.00 5.30 H new ATOM 0 HE2 MET A 19 1.725 -1.818 -15.290 1.00 5.30 H new ATOM 0 HE3 MET A 19 2.594 -0.300 -15.611 1.00 5.30 H new ATOM 316 N ASP A 20 7.488 -4.473 -12.037 1.00 71.24 N ATOM 317 CA ASP A 20 8.781 -4.997 -11.576 1.00 33.45 C ATOM 318 C ASP A 20 8.594 -5.928 -10.366 1.00 63.21 C ATOM 319 O ASP A 20 8.374 -5.468 -9.244 1.00 62.32 O ATOM 320 CB ASP A 20 9.734 -3.851 -11.216 1.00 1.44 C ATOM 321 CG ASP A 20 10.093 -2.995 -12.416 1.00 21.12 C ATOM 322 OD1 ASP A 20 10.921 -3.439 -13.239 1.00 2.50 O ATOM 323 OD2 ASP A 20 9.555 -1.876 -12.546 1.00 35.21 O ATOM 0 H ASP A 20 6.949 -3.996 -11.314 1.00 71.24 H new ATOM 0 HA ASP A 20 9.219 -5.572 -12.392 1.00 33.45 H new ATOM 0 HB2 ASP A 20 9.272 -3.225 -10.452 1.00 1.44 H new ATOM 0 HB3 ASP A 20 10.645 -4.263 -10.782 1.00 1.44 H new ATOM 328 N ASP A 21 8.697 -7.237 -10.600 1.00 61.22 N ATOM 329 CA ASP A 21 8.443 -8.246 -9.561 1.00 51.05 C ATOM 330 C ASP A 21 9.401 -8.136 -8.355 1.00 11.05 C ATOM 331 O ASP A 21 9.152 -8.732 -7.307 1.00 64.21 O ATOM 332 CB ASP A 21 8.523 -9.654 -10.167 1.00 1.21 C ATOM 333 CG ASP A 21 9.897 -9.968 -10.738 1.00 45.03 C ATOM 334 OD1 ASP A 21 10.777 -10.416 -9.973 1.00 42.10 O ATOM 335 OD2 ASP A 21 10.108 -9.764 -11.952 1.00 23.00 O ATOM 0 H ASP A 21 8.956 -7.629 -11.505 1.00 61.22 H new ATOM 0 HA ASP A 21 7.439 -8.056 -9.181 1.00 51.05 H new ATOM 0 HB2 ASP A 21 8.275 -10.389 -9.402 1.00 1.21 H new ATOM 0 HB3 ASP A 21 7.776 -9.749 -10.955 1.00 1.21 H new ATOM 340 N GLY A 22 10.492 -7.383 -8.506 1.00 21.33 N ATOM 341 CA GLY A 22 11.466 -7.244 -7.422 1.00 41.04 C ATOM 342 C GLY A 22 11.614 -5.815 -6.902 1.00 14.14 C ATOM 343 O GLY A 22 12.571 -5.511 -6.185 1.00 44.34 O ATOM 0 H GLY A 22 10.722 -6.867 -9.355 1.00 21.33 H new ATOM 0 HA2 GLY A 22 11.171 -7.892 -6.597 1.00 41.04 H new ATOM 0 HA3 GLY A 22 12.437 -7.595 -7.772 1.00 41.04 H new ATOM 347 N ALA A 23 10.668 -4.942 -7.240 1.00 31.33 N ATOM 348 CA ALA A 23 10.741 -3.532 -6.840 1.00 42.41 C ATOM 349 C ALA A 23 9.772 -3.206 -5.686 1.00 4.42 C ATOM 350 O ALA A 23 8.580 -3.509 -5.760 1.00 13.43 O ATOM 351 CB ALA A 23 10.455 -2.632 -8.039 1.00 14.40 C ATOM 0 H ALA A 23 9.842 -5.182 -7.789 1.00 31.33 H new ATOM 0 HA ALA A 23 11.752 -3.345 -6.478 1.00 42.41 H new ATOM 0 HB1 ALA A 23 10.512 -1.588 -7.732 1.00 14.40 H new ATOM 0 HB2 ALA A 23 11.192 -2.821 -8.820 1.00 14.40 H new ATOM 0 HB3 ALA A 23 9.457 -2.844 -8.423 1.00 14.40 H new ATOM 357 N PRO A 24 10.273 -2.577 -4.602 1.00 74.22 N ATOM 358 CA PRO A 24 9.425 -2.153 -3.474 1.00 42.42 C ATOM 359 C PRO A 24 8.516 -0.958 -3.824 1.00 75.11 C ATOM 360 O PRO A 24 8.960 0.024 -4.436 1.00 72.50 O ATOM 361 CB PRO A 24 10.446 -1.763 -2.397 1.00 34.41 C ATOM 362 CG PRO A 24 11.667 -1.363 -3.159 1.00 71.11 C ATOM 363 CD PRO A 24 11.697 -2.241 -4.383 1.00 65.41 C ATOM 0 HA PRO A 24 8.735 -2.939 -3.166 1.00 42.42 H new ATOM 0 HB2 PRO A 24 10.078 -0.943 -1.781 1.00 34.41 H new ATOM 0 HB3 PRO A 24 10.653 -2.597 -1.727 1.00 34.41 H new ATOM 0 HG2 PRO A 24 11.627 -0.309 -3.435 1.00 71.11 H new ATOM 0 HG3 PRO A 24 12.565 -1.501 -2.557 1.00 71.11 H new ATOM 0 HD2 PRO A 24 12.123 -1.720 -5.240 1.00 65.41 H new ATOM 0 HD3 PRO A 24 12.300 -3.135 -4.221 1.00 65.41 H new ATOM 371 N VAL A 25 7.248 -1.039 -3.422 1.00 3.23 N ATOM 372 CA VAL A 25 6.263 0.003 -3.727 1.00 62.44 C ATOM 373 C VAL A 25 6.389 1.196 -2.763 1.00 0.44 C ATOM 374 O VAL A 25 6.610 1.019 -1.566 1.00 33.53 O ATOM 375 CB VAL A 25 4.817 -0.556 -3.655 1.00 23.34 C ATOM 376 CG1 VAL A 25 3.804 0.485 -4.139 1.00 33.43 C ATOM 377 CG2 VAL A 25 4.695 -1.855 -4.451 1.00 13.40 C ATOM 0 H VAL A 25 6.875 -1.819 -2.881 1.00 3.23 H new ATOM 0 HA VAL A 25 6.468 0.344 -4.742 1.00 62.44 H new ATOM 0 HB VAL A 25 4.592 -0.781 -2.612 1.00 23.34 H new ATOM 0 HG11 VAL A 25 2.798 0.069 -4.079 1.00 33.43 H new ATOM 0 HG12 VAL A 25 3.867 1.374 -3.511 1.00 33.43 H new ATOM 0 HG13 VAL A 25 4.024 0.754 -5.172 1.00 33.43 H new ATOM 0 HG21 VAL A 25 3.673 -2.227 -4.385 1.00 13.40 H new ATOM 0 HG22 VAL A 25 4.946 -1.667 -5.495 1.00 13.40 H new ATOM 0 HG23 VAL A 25 5.379 -2.598 -4.041 1.00 13.40 H new ATOM 387 N LYS A 26 6.251 2.406 -3.298 1.00 41.02 N ATOM 388 CA LYS A 26 6.345 3.632 -2.491 1.00 51.00 C ATOM 389 C LYS A 26 4.963 4.059 -1.979 1.00 73.04 C ATOM 390 O LYS A 26 4.012 4.154 -2.756 1.00 20.25 O ATOM 391 CB LYS A 26 6.975 4.776 -3.313 1.00 23.41 C ATOM 392 CG LYS A 26 8.463 4.595 -3.624 1.00 63.42 C ATOM 393 CD LYS A 26 8.736 3.407 -4.545 1.00 4.34 C ATOM 394 CE LYS A 26 10.229 3.186 -4.756 1.00 25.44 C ATOM 395 NZ LYS A 26 10.492 1.995 -5.605 1.00 13.01 N ATOM 0 H LYS A 26 6.073 2.570 -4.289 1.00 41.02 H new ATOM 0 HA LYS A 26 6.983 3.419 -1.633 1.00 51.00 H new ATOM 0 HB2 LYS A 26 6.430 4.873 -4.252 1.00 23.41 H new ATOM 0 HB3 LYS A 26 6.842 5.712 -2.770 1.00 23.41 H new ATOM 0 HG2 LYS A 26 8.845 5.504 -4.088 1.00 63.42 H new ATOM 0 HG3 LYS A 26 9.010 4.459 -2.691 1.00 63.42 H new ATOM 0 HD2 LYS A 26 8.292 2.507 -4.119 1.00 4.34 H new ATOM 0 HD3 LYS A 26 8.254 3.575 -5.508 1.00 4.34 H new ATOM 0 HE2 LYS A 26 10.666 4.069 -5.222 1.00 25.44 H new ATOM 0 HE3 LYS A 26 10.719 3.060 -3.790 1.00 25.44 H new ATOM 0 HZ1 LYS A 26 11.508 1.775 -5.589 1.00 13.01 H new ATOM 0 HZ2 LYS A 26 9.956 1.182 -5.239 1.00 13.01 H new ATOM 0 HZ3 LYS A 26 10.196 2.193 -6.582 1.00 13.01 H new ATOM 409 N THR A 27 4.867 4.324 -0.673 1.00 54.13 N ATOM 410 CA THR A 27 3.612 4.789 -0.044 1.00 74.54 C ATOM 411 C THR A 27 2.954 5.930 -0.846 1.00 14.22 C ATOM 412 O THR A 27 1.730 6.027 -0.919 1.00 5.13 O ATOM 413 CB THR A 27 3.856 5.278 1.410 1.00 34.54 C ATOM 414 OG1 THR A 27 4.473 4.241 2.189 1.00 33.03 O ATOM 415 CG2 THR A 27 2.554 5.709 2.086 1.00 15.44 C ATOM 0 H THR A 27 5.645 4.226 -0.021 1.00 54.13 H new ATOM 0 HA THR A 27 2.940 3.930 -0.033 1.00 74.54 H new ATOM 0 HB THR A 27 4.519 6.142 1.355 1.00 34.54 H new ATOM 0 HG1 THR A 27 5.394 4.106 1.883 1.00 33.03 H new ATOM 0 HG21 THR A 27 2.765 6.045 3.101 1.00 15.44 H new ATOM 0 HG22 THR A 27 2.103 6.525 1.521 1.00 15.44 H new ATOM 0 HG23 THR A 27 1.864 4.865 2.119 1.00 15.44 H new ATOM 423 N ARG A 28 3.782 6.783 -1.452 1.00 52.41 N ATOM 424 CA ARG A 28 3.293 7.900 -2.274 1.00 4.02 C ATOM 425 C ARG A 28 2.448 7.407 -3.465 1.00 72.14 C ATOM 426 O ARG A 28 1.344 7.900 -3.697 1.00 22.13 O ATOM 427 CB ARG A 28 4.472 8.735 -2.786 1.00 62.12 C ATOM 428 CG ARG A 28 5.358 9.305 -1.682 1.00 43.54 C ATOM 429 CD ARG A 28 6.513 10.119 -2.254 1.00 42.32 C ATOM 430 NE ARG A 28 7.419 10.608 -1.215 1.00 41.35 N ATOM 431 CZ ARG A 28 8.261 11.595 -1.378 1.00 31.02 C ATOM 432 NH1 ARG A 28 8.323 12.225 -2.511 1.00 11.15 N ATOM 433 NH2 ARG A 28 9.043 11.943 -0.407 1.00 60.40 N ATOM 0 H ARG A 28 4.798 6.724 -1.391 1.00 52.41 H new ATOM 0 HA ARG A 28 2.654 8.517 -1.642 1.00 4.02 H new ATOM 0 HB2 ARG A 28 5.083 8.117 -3.444 1.00 62.12 H new ATOM 0 HB3 ARG A 28 4.086 9.557 -3.389 1.00 62.12 H new ATOM 0 HG2 ARG A 28 4.760 9.934 -1.023 1.00 43.54 H new ATOM 0 HG3 ARG A 28 5.752 8.491 -1.074 1.00 43.54 H new ATOM 0 HD2 ARG A 28 7.072 9.505 -2.960 1.00 42.32 H new ATOM 0 HD3 ARG A 28 6.115 10.966 -2.813 1.00 42.32 H new ATOM 0 HE ARG A 28 7.392 10.149 -0.304 1.00 41.35 H new ATOM 0 HH11 ARG A 28 7.713 11.951 -3.281 1.00 11.15 H new ATOM 0 HH12 ARG A 28 8.982 12.994 -2.631 1.00 11.15 H new ATOM 0 HH21 ARG A 28 9.002 11.447 0.484 1.00 60.40 H new ATOM 0 HH22 ARG A 28 9.700 12.713 -0.532 1.00 60.40 H new ATOM 447 N ASP A 29 2.977 6.429 -4.208 1.00 24.30 N ATOM 448 CA ASP A 29 2.273 5.849 -5.365 1.00 32.22 C ATOM 449 C ASP A 29 0.893 5.312 -4.951 1.00 74.54 C ATOM 450 O ASP A 29 -0.125 5.627 -5.571 1.00 55.54 O ATOM 451 CB ASP A 29 3.123 4.723 -5.984 1.00 2.22 C ATOM 452 CG ASP A 29 2.506 4.130 -7.243 1.00 34.14 C ATOM 453 OD1 ASP A 29 1.627 3.251 -7.128 1.00 41.44 O ATOM 454 OD2 ASP A 29 2.905 4.530 -8.357 1.00 21.12 O ATOM 0 H ASP A 29 3.894 6.019 -4.031 1.00 24.30 H new ATOM 0 HA ASP A 29 2.123 6.631 -6.109 1.00 32.22 H new ATOM 0 HB2 ASP A 29 4.113 5.112 -6.221 1.00 2.22 H new ATOM 0 HB3 ASP A 29 3.259 3.932 -5.247 1.00 2.22 H new ATOM 459 N ILE A 30 0.874 4.520 -3.880 1.00 21.43 N ATOM 460 CA ILE A 30 -0.371 3.960 -3.345 1.00 3.35 C ATOM 461 C ILE A 30 -1.361 5.065 -2.945 1.00 32.14 C ATOM 462 O ILE A 30 -2.538 5.024 -3.310 1.00 64.52 O ATOM 463 CB ILE A 30 -0.094 3.061 -2.113 1.00 43.15 C ATOM 464 CG1 ILE A 30 0.906 1.947 -2.472 1.00 25.22 C ATOM 465 CG2 ILE A 30 -1.398 2.468 -1.575 1.00 20.42 C ATOM 466 CD1 ILE A 30 1.301 1.071 -1.300 1.00 21.50 C ATOM 0 H ILE A 30 1.710 4.249 -3.362 1.00 21.43 H new ATOM 0 HA ILE A 30 -0.813 3.360 -4.140 1.00 3.35 H new ATOM 0 HB ILE A 30 0.348 3.676 -1.329 1.00 43.15 H new ATOM 0 HG12 ILE A 30 0.471 1.320 -3.251 1.00 25.22 H new ATOM 0 HG13 ILE A 30 1.804 2.400 -2.892 1.00 25.22 H new ATOM 0 HG21 ILE A 30 -1.183 1.840 -0.710 1.00 20.42 H new ATOM 0 HG22 ILE A 30 -2.070 3.274 -1.280 1.00 20.42 H new ATOM 0 HG23 ILE A 30 -1.872 1.867 -2.351 1.00 20.42 H new ATOM 0 HD11 ILE A 30 2.007 0.311 -1.635 1.00 21.50 H new ATOM 0 HD12 ILE A 30 1.767 1.684 -0.528 1.00 21.50 H new ATOM 0 HD13 ILE A 30 0.414 0.587 -0.892 1.00 21.50 H new ATOM 478 N ALA A 31 -0.871 6.054 -2.199 1.00 31.12 N ATOM 479 CA ALA A 31 -1.698 7.175 -1.746 1.00 75.45 C ATOM 480 C ALA A 31 -2.339 7.924 -2.924 1.00 62.24 C ATOM 481 O ALA A 31 -3.556 8.120 -2.964 1.00 22.35 O ATOM 482 CB ALA A 31 -0.862 8.137 -0.907 1.00 3.34 C ATOM 0 H ALA A 31 0.101 6.103 -1.893 1.00 31.12 H new ATOM 0 HA ALA A 31 -2.504 6.766 -1.136 1.00 75.45 H new ATOM 0 HB1 ALA A 31 -1.486 8.967 -0.575 1.00 3.34 H new ATOM 0 HB2 ALA A 31 -0.465 7.612 -0.038 1.00 3.34 H new ATOM 0 HB3 ALA A 31 -0.037 8.521 -1.507 1.00 3.34 H new ATOM 488 N ASP A 32 -1.515 8.322 -3.886 1.00 61.24 N ATOM 489 CA ASP A 32 -1.985 9.090 -5.041 1.00 72.12 C ATOM 490 C ASP A 32 -2.946 8.266 -5.921 1.00 74.44 C ATOM 491 O ASP A 32 -3.966 8.776 -6.390 1.00 24.44 O ATOM 492 CB ASP A 32 -0.785 9.567 -5.868 1.00 65.13 C ATOM 493 CG ASP A 32 -1.182 10.575 -6.930 1.00 71.03 C ATOM 494 OD1 ASP A 32 -1.426 11.748 -6.571 1.00 11.33 O ATOM 495 OD2 ASP A 32 -1.249 10.210 -8.123 1.00 55.21 O ATOM 0 H ASP A 32 -0.514 8.127 -3.892 1.00 61.24 H new ATOM 0 HA ASP A 32 -2.539 9.953 -4.670 1.00 72.12 H new ATOM 0 HB2 ASP A 32 -0.044 10.014 -5.205 1.00 65.13 H new ATOM 0 HB3 ASP A 32 -0.310 8.709 -6.344 1.00 65.13 H new ATOM 500 N ALA A 33 -2.615 6.992 -6.140 1.00 34.11 N ATOM 501 CA ALA A 33 -3.440 6.099 -6.967 1.00 24.11 C ATOM 502 C ALA A 33 -4.806 5.803 -6.320 1.00 64.12 C ATOM 503 O ALA A 33 -5.828 5.743 -7.007 1.00 73.34 O ATOM 504 CB ALA A 33 -2.692 4.799 -7.245 1.00 22.03 C ATOM 0 H ALA A 33 -1.779 6.551 -5.756 1.00 34.11 H new ATOM 0 HA ALA A 33 -3.634 6.613 -7.908 1.00 24.11 H new ATOM 0 HB1 ALA A 33 -3.313 4.146 -7.858 1.00 22.03 H new ATOM 0 HB2 ALA A 33 -1.764 5.019 -7.773 1.00 22.03 H new ATOM 0 HB3 ALA A 33 -2.463 4.302 -6.302 1.00 22.03 H new ATOM 510 N ALA A 34 -4.815 5.614 -5.002 1.00 52.43 N ATOM 511 CA ALA A 34 -6.055 5.322 -4.265 1.00 22.25 C ATOM 512 C ALA A 34 -6.864 6.597 -3.970 1.00 72.13 C ATOM 513 O ALA A 34 -8.069 6.535 -3.718 1.00 52.14 O ATOM 514 CB ALA A 34 -5.727 4.592 -2.967 1.00 13.14 C ATOM 0 H ALA A 34 -3.980 5.657 -4.417 1.00 52.43 H new ATOM 0 HA ALA A 34 -6.674 4.684 -4.896 1.00 22.25 H new ATOM 0 HB1 ALA A 34 -6.649 4.379 -2.426 1.00 13.14 H new ATOM 0 HB2 ALA A 34 -5.216 3.657 -3.195 1.00 13.14 H new ATOM 0 HB3 ALA A 34 -5.081 5.218 -2.351 1.00 13.14 H new ATOM 520 N GLY A 35 -6.192 7.745 -4.006 1.00 73.22 N ATOM 521 CA GLY A 35 -6.844 9.013 -3.695 1.00 24.44 C ATOM 522 C GLY A 35 -6.903 9.290 -2.197 1.00 12.01 C ATOM 523 O GLY A 35 -7.845 9.909 -1.705 1.00 43.32 O ATOM 0 H GLY A 35 -5.204 7.823 -4.246 1.00 73.22 H new ATOM 0 HA2 GLY A 35 -6.309 9.823 -4.190 1.00 24.44 H new ATOM 0 HA3 GLY A 35 -7.856 9.006 -4.100 1.00 24.44 H new ATOM 527 N LEU A 36 -5.885 8.829 -1.471 1.00 51.14 N ATOM 528 CA LEU A 36 -5.830 8.975 -0.009 1.00 64.01 C ATOM 529 C LEU A 36 -4.564 9.731 0.426 1.00 3.40 C ATOM 530 O LEU A 36 -3.594 9.829 -0.330 1.00 63.02 O ATOM 531 CB LEU A 36 -5.856 7.591 0.659 1.00 12.21 C ATOM 532 CG LEU A 36 -7.042 6.687 0.281 1.00 12.11 C ATOM 533 CD1 LEU A 36 -6.921 5.328 0.967 1.00 55.43 C ATOM 534 CD2 LEU A 36 -8.371 7.353 0.632 1.00 5.42 C ATOM 0 H LEU A 36 -5.080 8.347 -1.871 1.00 51.14 H new ATOM 0 HA LEU A 36 -6.701 9.550 0.304 1.00 64.01 H new ATOM 0 HB2 LEU A 36 -4.932 7.070 0.408 1.00 12.21 H new ATOM 0 HB3 LEU A 36 -5.860 7.730 1.740 1.00 12.21 H new ATOM 0 HG LEU A 36 -7.019 6.531 -0.798 1.00 12.11 H new ATOM 0 HD11 LEU A 36 -7.769 4.703 0.688 1.00 55.43 H new ATOM 0 HD12 LEU A 36 -5.995 4.844 0.656 1.00 55.43 H new ATOM 0 HD13 LEU A 36 -6.913 5.466 2.048 1.00 55.43 H new ATOM 0 HD21 LEU A 36 -9.193 6.693 0.355 1.00 5.42 H new ATOM 0 HD22 LEU A 36 -8.408 7.548 1.704 1.00 5.42 H new ATOM 0 HD23 LEU A 36 -8.461 8.293 0.088 1.00 5.42 H new ATOM 546 N SER A 37 -4.572 10.254 1.652 1.00 31.02 N ATOM 547 CA SER A 37 -3.410 10.981 2.193 1.00 41.01 C ATOM 548 C SER A 37 -2.359 10.017 2.768 1.00 52.45 C ATOM 549 O SER A 37 -2.694 8.925 3.234 1.00 73.45 O ATOM 550 CB SER A 37 -3.850 11.974 3.281 1.00 32.11 C ATOM 551 OG SER A 37 -4.693 12.987 2.752 1.00 22.42 O ATOM 0 H SER A 37 -5.364 10.191 2.292 1.00 31.02 H new ATOM 0 HA SER A 37 -2.958 11.529 1.367 1.00 41.01 H new ATOM 0 HB2 SER A 37 -4.375 11.439 4.072 1.00 32.11 H new ATOM 0 HB3 SER A 37 -2.971 12.431 3.735 1.00 32.11 H new ATOM 0 HG SER A 37 -4.956 13.601 3.469 1.00 22.42 H new ATOM 557 N ILE A 38 -1.091 10.440 2.752 1.00 31.51 N ATOM 558 CA ILE A 38 0.032 9.601 3.209 1.00 34.13 C ATOM 559 C ILE A 38 -0.221 8.995 4.603 1.00 43.30 C ATOM 560 O ILE A 38 -0.001 7.802 4.816 1.00 70.22 O ATOM 561 CB ILE A 38 1.359 10.411 3.236 1.00 44.23 C ATOM 562 CG1 ILE A 38 1.750 10.869 1.817 1.00 51.41 C ATOM 563 CG2 ILE A 38 2.491 9.597 3.867 1.00 50.54 C ATOM 564 CD1 ILE A 38 2.081 9.733 0.868 1.00 12.52 C ATOM 0 H ILE A 38 -0.811 11.365 2.426 1.00 31.51 H new ATOM 0 HA ILE A 38 0.117 8.785 2.492 1.00 34.13 H new ATOM 0 HB ILE A 38 1.195 11.296 3.851 1.00 44.23 H new ATOM 0 HG12 ILE A 38 0.931 11.452 1.397 1.00 51.41 H new ATOM 0 HG13 ILE A 38 2.612 11.533 1.886 1.00 51.41 H new ATOM 0 HG21 ILE A 38 3.406 10.189 3.872 1.00 50.54 H new ATOM 0 HG22 ILE A 38 2.223 9.334 4.890 1.00 50.54 H new ATOM 0 HG23 ILE A 38 2.651 8.687 3.289 1.00 50.54 H new ATOM 0 HD11 ILE A 38 2.346 10.140 -0.108 1.00 12.52 H new ATOM 0 HD12 ILE A 38 2.921 9.162 1.263 1.00 12.52 H new ATOM 0 HD13 ILE A 38 1.214 9.080 0.766 1.00 12.52 H new ATOM 576 N TYR A 39 -0.691 9.818 5.539 1.00 5.41 N ATOM 577 CA TYR A 39 -0.954 9.368 6.915 1.00 62.14 C ATOM 578 C TYR A 39 -1.959 8.199 6.953 1.00 21.24 C ATOM 579 O TYR A 39 -1.694 7.157 7.559 1.00 61.14 O ATOM 580 CB TYR A 39 -1.473 10.547 7.750 1.00 63.14 C ATOM 581 CG TYR A 39 -1.736 10.217 9.210 1.00 43.01 C ATOM 582 CD1 TYR A 39 -0.685 10.093 10.115 1.00 64.42 C ATOM 583 CD2 TYR A 39 -3.033 10.050 9.688 1.00 33.03 C ATOM 584 CE1 TYR A 39 -0.919 9.811 11.449 1.00 21.42 C ATOM 585 CE2 TYR A 39 -3.272 9.763 11.018 1.00 55.01 C ATOM 586 CZ TYR A 39 -2.214 9.650 11.894 1.00 61.32 C ATOM 587 OH TYR A 39 -2.453 9.379 13.223 1.00 12.01 O ATOM 0 H TYR A 39 -0.899 10.803 5.374 1.00 5.41 H new ATOM 0 HA TYR A 39 -0.018 9.004 7.338 1.00 62.14 H new ATOM 0 HB2 TYR A 39 -0.748 11.359 7.699 1.00 63.14 H new ATOM 0 HB3 TYR A 39 -2.396 10.915 7.302 1.00 63.14 H new ATOM 0 HD1 TYR A 39 0.330 10.219 9.769 1.00 64.42 H new ATOM 0 HD2 TYR A 39 -3.866 10.146 9.008 1.00 33.03 H new ATOM 0 HE1 TYR A 39 -0.092 9.718 12.138 1.00 21.42 H new ATOM 0 HE2 TYR A 39 -4.284 9.628 11.370 1.00 55.01 H new ATOM 0 HH TYR A 39 -3.418 9.296 13.371 1.00 12.01 H new ATOM 597 N GLN A 40 -3.105 8.381 6.302 1.00 72.21 N ATOM 598 CA GLN A 40 -4.146 7.345 6.242 1.00 35.44 C ATOM 599 C GLN A 40 -3.608 6.050 5.616 1.00 52.50 C ATOM 600 O GLN A 40 -3.822 4.953 6.135 1.00 71.32 O ATOM 601 CB GLN A 40 -5.344 7.854 5.427 1.00 43.24 C ATOM 602 CG GLN A 40 -6.547 6.911 5.411 1.00 3.24 C ATOM 603 CD GLN A 40 -7.173 6.721 6.785 1.00 10.31 C ATOM 604 OE1 GLN A 40 -6.817 5.814 7.532 1.00 72.05 O ATOM 605 NE2 GLN A 40 -8.099 7.589 7.134 1.00 44.22 N ATOM 0 H GLN A 40 -3.342 9.239 5.804 1.00 72.21 H new ATOM 0 HA GLN A 40 -4.462 7.126 7.262 1.00 35.44 H new ATOM 0 HB2 GLN A 40 -5.659 8.817 5.830 1.00 43.24 H new ATOM 0 HB3 GLN A 40 -5.021 8.028 4.401 1.00 43.24 H new ATOM 0 HG2 GLN A 40 -7.299 7.303 4.726 1.00 3.24 H new ATOM 0 HG3 GLN A 40 -6.236 5.941 5.022 1.00 3.24 H new ATOM 0 HE21 GLN A 40 -8.372 8.331 6.489 1.00 44.22 H new ATOM 0 HE22 GLN A 40 -8.544 7.520 8.049 1.00 44.22 H new ATOM 614 N VAL A 41 -2.902 6.197 4.499 1.00 64.13 N ATOM 615 CA VAL A 41 -2.317 5.052 3.796 1.00 12.11 C ATOM 616 C VAL A 41 -1.296 4.309 4.678 1.00 40.52 C ATOM 617 O VAL A 41 -1.284 3.082 4.717 1.00 23.22 O ATOM 618 CB VAL A 41 -1.650 5.500 2.472 1.00 73.42 C ATOM 619 CG1 VAL A 41 -1.047 4.309 1.728 1.00 32.40 C ATOM 620 CG2 VAL A 41 -2.663 6.228 1.592 1.00 31.14 C ATOM 0 H VAL A 41 -2.719 7.098 4.058 1.00 64.13 H new ATOM 0 HA VAL A 41 -3.130 4.363 3.565 1.00 12.11 H new ATOM 0 HB VAL A 41 -0.838 6.186 2.714 1.00 73.42 H new ATOM 0 HG11 VAL A 41 -0.586 4.654 0.803 1.00 32.40 H new ATOM 0 HG12 VAL A 41 -0.292 3.833 2.354 1.00 32.40 H new ATOM 0 HG13 VAL A 41 -1.832 3.590 1.496 1.00 32.40 H new ATOM 0 HG21 VAL A 41 -2.182 6.538 0.664 1.00 31.14 H new ATOM 0 HG22 VAL A 41 -3.494 5.560 1.365 1.00 31.14 H new ATOM 0 HG23 VAL A 41 -3.037 7.106 2.118 1.00 31.14 H new ATOM 630 N ARG A 42 -0.458 5.060 5.399 1.00 53.41 N ATOM 631 CA ARG A 42 0.514 4.463 6.332 1.00 51.33 C ATOM 632 C ARG A 42 -0.173 3.543 7.353 1.00 31.11 C ATOM 633 O ARG A 42 0.353 2.483 7.702 1.00 41.20 O ATOM 634 CB ARG A 42 1.292 5.553 7.082 1.00 50.32 C ATOM 635 CG ARG A 42 2.323 6.293 6.234 1.00 72.21 C ATOM 636 CD ARG A 42 3.036 7.369 7.046 1.00 0.21 C ATOM 637 NE ARG A 42 3.641 6.825 8.262 1.00 14.32 N ATOM 638 CZ ARG A 42 3.545 7.374 9.443 1.00 43.33 C ATOM 639 NH1 ARG A 42 2.887 8.478 9.607 1.00 1.25 N ATOM 640 NH2 ARG A 42 4.112 6.814 10.458 1.00 13.34 N ATOM 0 H ARG A 42 -0.430 6.079 5.358 1.00 53.41 H new ATOM 0 HA ARG A 42 1.204 3.869 5.734 1.00 51.33 H new ATOM 0 HB2 ARG A 42 0.583 6.277 7.483 1.00 50.32 H new ATOM 0 HB3 ARG A 42 1.799 5.099 7.933 1.00 50.32 H new ATOM 0 HG2 ARG A 42 3.054 5.584 5.844 1.00 72.21 H new ATOM 0 HG3 ARG A 42 1.831 6.749 5.375 1.00 72.21 H new ATOM 0 HD2 ARG A 42 3.808 7.834 6.433 1.00 0.21 H new ATOM 0 HD3 ARG A 42 2.326 8.152 7.313 1.00 0.21 H new ATOM 0 HE ARG A 42 4.174 5.959 8.182 1.00 14.32 H new ATOM 0 HH11 ARG A 42 2.437 8.927 8.809 1.00 1.25 H new ATOM 0 HH12 ARG A 42 2.818 8.898 10.534 1.00 1.25 H new ATOM 0 HH21 ARG A 42 4.633 5.946 10.336 1.00 13.34 H new ATOM 0 HH22 ARG A 42 4.039 7.240 11.382 1.00 13.34 H new ATOM 654 N LEU A 43 -1.343 3.964 7.833 1.00 60.01 N ATOM 655 CA LEU A 43 -2.119 3.172 8.793 1.00 43.32 C ATOM 656 C LEU A 43 -2.568 1.841 8.174 1.00 74.51 C ATOM 657 O LEU A 43 -2.328 0.771 8.737 1.00 2.00 O ATOM 658 CB LEU A 43 -3.341 3.964 9.283 1.00 71.21 C ATOM 659 CG LEU A 43 -3.025 5.296 9.984 1.00 34.55 C ATOM 660 CD1 LEU A 43 -4.311 6.022 10.383 1.00 64.03 C ATOM 661 CD2 LEU A 43 -2.135 5.067 11.206 1.00 64.22 C ATOM 0 H LEU A 43 -1.777 4.850 7.574 1.00 60.01 H new ATOM 0 HA LEU A 43 -1.475 2.955 9.645 1.00 43.32 H new ATOM 0 HB2 LEU A 43 -3.988 4.167 8.429 1.00 71.21 H new ATOM 0 HB3 LEU A 43 -3.908 3.336 9.971 1.00 71.21 H new ATOM 0 HG LEU A 43 -2.484 5.927 9.279 1.00 34.55 H new ATOM 0 HD11 LEU A 43 -4.061 6.961 10.877 1.00 64.03 H new ATOM 0 HD12 LEU A 43 -4.904 6.228 9.492 1.00 64.03 H new ATOM 0 HD13 LEU A 43 -4.886 5.395 11.065 1.00 64.03 H new ATOM 0 HD21 LEU A 43 -1.924 6.022 11.687 1.00 64.22 H new ATOM 0 HD22 LEU A 43 -2.646 4.411 11.911 1.00 64.22 H new ATOM 0 HD23 LEU A 43 -1.199 4.604 10.893 1.00 64.22 H new ATOM 673 N TYR A 44 -3.209 1.914 7.005 1.00 5.52 N ATOM 674 CA TYR A 44 -3.656 0.707 6.291 1.00 12.53 C ATOM 675 C TYR A 44 -2.481 -0.225 5.946 1.00 63.22 C ATOM 676 O TYR A 44 -2.529 -1.421 6.225 1.00 41.12 O ATOM 677 CB TYR A 44 -4.412 1.080 5.007 1.00 41.44 C ATOM 678 CG TYR A 44 -5.807 1.635 5.247 1.00 61.35 C ATOM 679 CD1 TYR A 44 -6.796 0.846 5.828 1.00 70.24 C ATOM 680 CD2 TYR A 44 -6.142 2.933 4.871 1.00 61.33 C ATOM 681 CE1 TYR A 44 -8.071 1.339 6.036 1.00 1.43 C ATOM 682 CE2 TYR A 44 -7.416 3.430 5.080 1.00 32.00 C ATOM 683 CZ TYR A 44 -8.377 2.627 5.658 1.00 24.14 C ATOM 684 OH TYR A 44 -9.651 3.117 5.861 1.00 35.21 O ATOM 0 H TYR A 44 -3.431 2.790 6.532 1.00 5.52 H new ATOM 0 HA TYR A 44 -4.328 0.173 6.963 1.00 12.53 H new ATOM 0 HB2 TYR A 44 -3.829 1.818 4.456 1.00 41.44 H new ATOM 0 HB3 TYR A 44 -4.488 0.196 4.373 1.00 41.44 H new ATOM 0 HD1 TYR A 44 -6.564 -0.167 6.121 1.00 70.24 H new ATOM 0 HD2 TYR A 44 -5.395 3.562 4.409 1.00 61.33 H new ATOM 0 HE1 TYR A 44 -8.825 0.715 6.494 1.00 1.43 H new ATOM 0 HE2 TYR A 44 -7.657 4.443 4.792 1.00 32.00 H new ATOM 0 HH TYR A 44 -9.701 4.042 5.540 1.00 35.21 H new ATOM 694 N LEU A 45 -1.430 0.331 5.342 1.00 63.13 N ATOM 695 CA LEU A 45 -0.246 -0.452 4.953 1.00 31.10 C ATOM 696 C LEU A 45 0.384 -1.166 6.159 1.00 62.24 C ATOM 697 O LEU A 45 0.748 -2.344 6.079 1.00 71.10 O ATOM 698 CB LEU A 45 0.798 0.454 4.286 1.00 64.11 C ATOM 699 CG LEU A 45 0.347 1.125 2.978 1.00 5.14 C ATOM 700 CD1 LEU A 45 1.455 2.006 2.412 1.00 61.41 C ATOM 701 CD2 LEU A 45 -0.090 0.081 1.954 1.00 44.11 C ATOM 0 H LEU A 45 -1.370 1.322 5.109 1.00 63.13 H new ATOM 0 HA LEU A 45 -0.576 -1.211 4.244 1.00 31.10 H new ATOM 0 HB2 LEU A 45 1.085 1.232 4.994 1.00 64.11 H new ATOM 0 HB3 LEU A 45 1.691 -0.137 4.083 1.00 64.11 H new ATOM 0 HG LEU A 45 -0.511 1.759 3.202 1.00 5.14 H new ATOM 0 HD11 LEU A 45 1.114 2.470 1.487 1.00 61.41 H new ATOM 0 HD12 LEU A 45 1.709 2.781 3.135 1.00 61.41 H new ATOM 0 HD13 LEU A 45 2.336 1.397 2.209 1.00 61.41 H new ATOM 0 HD21 LEU A 45 -0.405 0.580 1.037 1.00 44.11 H new ATOM 0 HD22 LEU A 45 0.744 -0.586 1.736 1.00 44.11 H new ATOM 0 HD23 LEU A 45 -0.922 -0.497 2.356 1.00 44.11 H new ATOM 713 N GLU A 46 0.506 -0.450 7.275 1.00 1.43 N ATOM 714 CA GLU A 46 1.031 -1.031 8.516 1.00 35.22 C ATOM 715 C GLU A 46 0.168 -2.220 8.970 1.00 45.31 C ATOM 716 O GLU A 46 0.679 -3.310 9.240 1.00 3.31 O ATOM 717 CB GLU A 46 1.086 0.034 9.619 1.00 55.12 C ATOM 718 CG GLU A 46 1.738 -0.449 10.911 1.00 73.02 C ATOM 719 CD GLU A 46 1.712 0.603 12.009 1.00 55.41 C ATOM 720 OE1 GLU A 46 2.524 1.551 11.945 1.00 1.33 O ATOM 721 OE2 GLU A 46 0.878 0.489 12.933 1.00 74.15 O ATOM 0 H GLU A 46 0.249 0.534 7.349 1.00 1.43 H new ATOM 0 HA GLU A 46 2.041 -1.393 8.323 1.00 35.22 H new ATOM 0 HB2 GLU A 46 1.635 0.900 9.248 1.00 55.12 H new ATOM 0 HB3 GLU A 46 0.072 0.369 9.838 1.00 55.12 H new ATOM 0 HG2 GLU A 46 1.225 -1.345 11.260 1.00 73.02 H new ATOM 0 HG3 GLU A 46 2.771 -0.732 10.708 1.00 73.02 H new ATOM 728 N GLN A 47 -1.149 -2.000 9.030 1.00 1.22 N ATOM 729 CA GLN A 47 -2.104 -3.064 9.362 1.00 71.22 C ATOM 730 C GLN A 47 -1.932 -4.265 8.420 1.00 23.23 C ATOM 731 O GLN A 47 -1.896 -5.416 8.859 1.00 24.12 O ATOM 732 CB GLN A 47 -3.543 -2.526 9.284 1.00 0.22 C ATOM 733 CG GLN A 47 -3.845 -1.428 10.302 1.00 34.43 C ATOM 734 CD GLN A 47 -5.213 -0.790 10.112 1.00 14.34 C ATOM 735 OE1 GLN A 47 -6.152 -1.425 9.641 1.00 71.21 O ATOM 736 NE2 GLN A 47 -5.336 0.472 10.473 1.00 62.43 N ATOM 0 H GLN A 47 -1.580 -1.093 8.853 1.00 1.22 H new ATOM 0 HA GLN A 47 -1.906 -3.399 10.380 1.00 71.22 H new ATOM 0 HB2 GLN A 47 -3.723 -2.139 8.281 1.00 0.22 H new ATOM 0 HB3 GLN A 47 -4.239 -3.351 9.436 1.00 0.22 H new ATOM 0 HG2 GLN A 47 -3.784 -1.847 11.306 1.00 34.43 H new ATOM 0 HG3 GLN A 47 -3.079 -0.656 10.231 1.00 34.43 H new ATOM 0 HE21 GLN A 47 -4.536 0.972 10.861 1.00 62.43 H new ATOM 0 HE22 GLN A 47 -6.231 0.949 10.364 1.00 62.43 H new ATOM 745 N LEU A 48 -1.794 -3.984 7.123 1.00 70.41 N ATOM 746 CA LEU A 48 -1.582 -5.031 6.120 1.00 43.34 C ATOM 747 C LEU A 48 -0.307 -5.841 6.402 1.00 44.23 C ATOM 748 O LEU A 48 -0.226 -7.020 6.062 1.00 53.44 O ATOM 749 CB LEU A 48 -1.527 -4.428 4.708 1.00 3.20 C ATOM 750 CG LEU A 48 -2.851 -3.841 4.188 1.00 30.25 C ATOM 751 CD1 LEU A 48 -2.664 -3.209 2.811 1.00 23.31 C ATOM 752 CD2 LEU A 48 -3.940 -4.916 4.145 1.00 65.22 C ATOM 0 H LEU A 48 -1.825 -3.039 6.741 1.00 70.41 H new ATOM 0 HA LEU A 48 -2.430 -5.713 6.180 1.00 43.34 H new ATOM 0 HB2 LEU A 48 -0.772 -3.642 4.696 1.00 3.20 H new ATOM 0 HB3 LEU A 48 -1.195 -5.200 4.014 1.00 3.20 H new ATOM 0 HG LEU A 48 -3.168 -3.060 4.879 1.00 30.25 H new ATOM 0 HD11 LEU A 48 -3.614 -2.801 2.466 1.00 23.31 H new ATOM 0 HD12 LEU A 48 -1.928 -2.408 2.875 1.00 23.31 H new ATOM 0 HD13 LEU A 48 -2.317 -3.966 2.108 1.00 23.31 H new ATOM 0 HD21 LEU A 48 -4.868 -4.480 3.775 1.00 65.22 H new ATOM 0 HD22 LEU A 48 -3.628 -5.723 3.482 1.00 65.22 H new ATOM 0 HD23 LEU A 48 -4.100 -5.312 5.148 1.00 65.22 H new ATOM 764 N HIS A 49 0.689 -5.218 7.019 1.00 75.02 N ATOM 765 CA HIS A 49 1.895 -5.942 7.430 1.00 55.44 C ATOM 766 C HIS A 49 1.604 -6.853 8.634 1.00 12.35 C ATOM 767 O HIS A 49 1.978 -8.028 8.641 1.00 13.22 O ATOM 768 CB HIS A 49 3.033 -4.964 7.764 1.00 21.40 C ATOM 769 CG HIS A 49 4.281 -5.634 8.261 1.00 63.33 C ATOM 770 ND1 HIS A 49 4.962 -6.600 7.547 1.00 33.44 N ATOM 771 CD2 HIS A 49 4.970 -5.477 9.417 1.00 63.52 C ATOM 772 CE1 HIS A 49 6.008 -7.003 8.240 1.00 50.32 C ATOM 773 NE2 HIS A 49 6.039 -6.340 9.374 1.00 12.32 N ATOM 0 H HIS A 49 0.691 -4.224 7.246 1.00 75.02 H new ATOM 0 HA HIS A 49 2.211 -6.566 6.594 1.00 55.44 H new ATOM 0 HB2 HIS A 49 3.274 -4.383 6.874 1.00 21.40 H new ATOM 0 HB3 HIS A 49 2.684 -4.260 8.519 1.00 21.40 H new ATOM 0 HD1 HIS A 49 4.697 -6.948 6.626 1.00 33.44 H new ATOM 0 HD2 HIS A 49 4.725 -4.800 10.222 1.00 63.52 H new ATOM 0 HE1 HIS A 49 6.720 -7.753 7.928 1.00 50.32 H new ATOM 782 N ASP A 50 0.913 -6.312 9.636 1.00 32.31 N ATOM 783 CA ASP A 50 0.600 -7.060 10.863 1.00 51.05 C ATOM 784 C ASP A 50 -0.438 -8.175 10.635 1.00 12.02 C ATOM 785 O ASP A 50 -0.594 -9.061 11.475 1.00 54.32 O ATOM 786 CB ASP A 50 0.112 -6.104 11.954 1.00 11.11 C ATOM 787 CG ASP A 50 1.175 -5.100 12.364 1.00 61.14 C ATOM 788 OD1 ASP A 50 2.295 -5.526 12.725 1.00 32.35 O ATOM 789 OD2 ASP A 50 0.903 -3.880 12.324 1.00 2.55 O ATOM 0 H ASP A 50 0.556 -5.356 9.627 1.00 32.31 H new ATOM 0 HA ASP A 50 1.523 -7.544 11.182 1.00 51.05 H new ATOM 0 HB2 ASP A 50 -0.769 -5.570 11.598 1.00 11.11 H new ATOM 0 HB3 ASP A 50 -0.195 -6.680 12.827 1.00 11.11 H new ATOM 794 N VAL A 51 -1.167 -8.120 9.518 1.00 53.24 N ATOM 795 CA VAL A 51 -2.129 -9.180 9.174 1.00 34.40 C ATOM 796 C VAL A 51 -1.540 -10.178 8.156 1.00 4.43 C ATOM 797 O VAL A 51 -2.234 -11.080 7.693 1.00 44.11 O ATOM 798 CB VAL A 51 -3.463 -8.600 8.627 1.00 31.01 C ATOM 799 CG1 VAL A 51 -4.111 -7.677 9.658 1.00 35.44 C ATOM 800 CG2 VAL A 51 -3.246 -7.871 7.305 1.00 70.41 C ATOM 0 H VAL A 51 -1.114 -7.361 8.839 1.00 53.24 H new ATOM 0 HA VAL A 51 -2.340 -9.712 10.102 1.00 34.40 H new ATOM 0 HB VAL A 51 -4.141 -9.433 8.439 1.00 31.01 H new ATOM 0 HG11 VAL A 51 -5.044 -7.281 9.256 1.00 35.44 H new ATOM 0 HG12 VAL A 51 -4.318 -8.238 10.570 1.00 35.44 H new ATOM 0 HG13 VAL A 51 -3.435 -6.853 9.885 1.00 35.44 H new ATOM 0 HG21 VAL A 51 -4.197 -7.476 6.947 1.00 70.41 H new ATOM 0 HG22 VAL A 51 -2.545 -7.050 7.453 1.00 70.41 H new ATOM 0 HG23 VAL A 51 -2.841 -8.565 6.569 1.00 70.41 H new ATOM 810 N GLY A 52 -0.259 -10.011 7.814 1.00 30.14 N ATOM 811 CA GLY A 52 0.431 -10.980 6.956 1.00 65.14 C ATOM 812 C GLY A 52 0.208 -10.778 5.455 1.00 30.43 C ATOM 813 O GLY A 52 0.215 -11.743 4.691 1.00 22.03 O ATOM 0 H GLY A 52 0.316 -9.224 8.114 1.00 30.14 H new ATOM 0 HA2 GLY A 52 1.500 -10.929 7.161 1.00 65.14 H new ATOM 0 HA3 GLY A 52 0.102 -11.983 7.227 1.00 65.14 H new ATOM 817 N VAL A 53 0.021 -9.531 5.030 1.00 53.41 N ATOM 818 CA VAL A 53 -0.138 -9.210 3.599 1.00 54.52 C ATOM 819 C VAL A 53 1.124 -8.543 3.020 1.00 64.20 C ATOM 820 O VAL A 53 1.684 -9.006 2.019 1.00 12.31 O ATOM 821 CB VAL A 53 -1.354 -8.274 3.357 1.00 71.33 C ATOM 822 CG1 VAL A 53 -1.485 -7.911 1.877 1.00 31.11 C ATOM 823 CG2 VAL A 53 -2.644 -8.911 3.868 1.00 20.51 C ATOM 0 H VAL A 53 -0.025 -8.722 5.649 1.00 53.41 H new ATOM 0 HA VAL A 53 -0.305 -10.159 3.090 1.00 54.52 H new ATOM 0 HB VAL A 53 -1.180 -7.355 3.917 1.00 71.33 H new ATOM 0 HG11 VAL A 53 -2.344 -7.255 1.738 1.00 31.11 H new ATOM 0 HG12 VAL A 53 -0.581 -7.399 1.546 1.00 31.11 H new ATOM 0 HG13 VAL A 53 -1.623 -8.819 1.290 1.00 31.11 H new ATOM 0 HG21 VAL A 53 -3.480 -8.236 3.687 1.00 20.51 H new ATOM 0 HG22 VAL A 53 -2.817 -9.852 3.345 1.00 20.51 H new ATOM 0 HG23 VAL A 53 -2.557 -9.101 4.938 1.00 20.51 H new ATOM 833 N LEU A 54 1.567 -7.450 3.650 1.00 23.44 N ATOM 834 CA LEU A 54 2.716 -6.672 3.155 1.00 34.42 C ATOM 835 C LEU A 54 4.026 -7.004 3.892 1.00 34.33 C ATOM 836 O LEU A 54 4.021 -7.559 4.994 1.00 51.02 O ATOM 837 CB LEU A 54 2.430 -5.168 3.265 1.00 4.14 C ATOM 838 CG LEU A 54 1.264 -4.654 2.403 1.00 44.13 C ATOM 839 CD1 LEU A 54 1.118 -3.142 2.551 1.00 44.42 C ATOM 840 CD2 LEU A 54 1.449 -5.041 0.934 1.00 12.51 C ATOM 0 H LEU A 54 1.150 -7.081 4.504 1.00 23.44 H new ATOM 0 HA LEU A 54 2.852 -6.950 2.110 1.00 34.42 H new ATOM 0 HB2 LEU A 54 2.221 -4.930 4.308 1.00 4.14 H new ATOM 0 HB3 LEU A 54 3.332 -4.622 2.988 1.00 4.14 H new ATOM 0 HG LEU A 54 0.348 -5.126 2.757 1.00 44.13 H new ATOM 0 HD11 LEU A 54 0.289 -2.794 1.935 1.00 44.42 H new ATOM 0 HD12 LEU A 54 0.923 -2.896 3.595 1.00 44.42 H new ATOM 0 HD13 LEU A 54 2.038 -2.654 2.229 1.00 44.42 H new ATOM 0 HD21 LEU A 54 0.609 -4.664 0.350 1.00 12.51 H new ATOM 0 HD22 LEU A 54 2.376 -4.609 0.558 1.00 12.51 H new ATOM 0 HD23 LEU A 54 1.493 -6.127 0.847 1.00 12.51 H new ATOM 852 N GLU A 55 5.142 -6.616 3.276 1.00 32.54 N ATOM 853 CA GLU A 55 6.484 -6.921 3.781 1.00 53.53 C ATOM 854 C GLU A 55 7.309 -5.631 3.949 1.00 22.23 C ATOM 855 O GLU A 55 7.128 -4.665 3.202 1.00 33.52 O ATOM 856 CB GLU A 55 7.184 -7.884 2.806 1.00 13.21 C ATOM 857 CG GLU A 55 8.571 -8.338 3.251 1.00 4.53 C ATOM 858 CD GLU A 55 8.554 -9.049 4.595 1.00 32.34 C ATOM 859 OE1 GLU A 55 7.902 -10.110 4.703 1.00 42.23 O ATOM 860 OE2 GLU A 55 9.181 -8.544 5.547 1.00 22.14 O ATOM 0 H GLU A 55 5.143 -6.079 2.409 1.00 32.54 H new ATOM 0 HA GLU A 55 6.400 -7.394 4.760 1.00 53.53 H new ATOM 0 HB2 GLU A 55 6.554 -8.763 2.669 1.00 13.21 H new ATOM 0 HB3 GLU A 55 7.269 -7.398 1.834 1.00 13.21 H new ATOM 0 HG2 GLU A 55 8.989 -9.005 2.497 1.00 4.53 H new ATOM 0 HG3 GLU A 55 9.230 -7.472 3.311 1.00 4.53 H new ATOM 867 N LYS A 56 8.226 -5.631 4.918 1.00 55.30 N ATOM 868 CA LYS A 56 8.980 -4.423 5.297 1.00 50.43 C ATOM 869 C LYS A 56 10.143 -4.107 4.329 1.00 5.43 C ATOM 870 O LYS A 56 10.960 -4.979 4.014 1.00 41.04 O ATOM 871 CB LYS A 56 9.535 -4.593 6.723 1.00 31.14 C ATOM 872 CG LYS A 56 10.444 -5.813 6.883 1.00 21.10 C ATOM 873 CD LYS A 56 10.986 -5.960 8.305 1.00 70.41 C ATOM 874 CE LYS A 56 11.874 -7.196 8.432 1.00 52.30 C ATOM 875 NZ LYS A 56 12.415 -7.359 9.805 1.00 13.34 N ATOM 0 H LYS A 56 8.470 -6.459 5.462 1.00 55.30 H new ATOM 0 HA LYS A 56 8.285 -3.584 5.248 1.00 50.43 H new ATOM 0 HB2 LYS A 56 10.092 -3.697 6.997 1.00 31.14 H new ATOM 0 HB3 LYS A 56 8.702 -4.677 7.421 1.00 31.14 H new ATOM 0 HG2 LYS A 56 9.890 -6.712 6.615 1.00 21.10 H new ATOM 0 HG3 LYS A 56 11.279 -5.733 6.186 1.00 21.10 H new ATOM 0 HD2 LYS A 56 11.556 -5.070 8.574 1.00 70.41 H new ATOM 0 HD3 LYS A 56 10.156 -6.031 9.008 1.00 70.41 H new ATOM 0 HE2 LYS A 56 11.301 -8.083 8.162 1.00 52.30 H new ATOM 0 HE3 LYS A 56 12.700 -7.122 7.724 1.00 52.30 H new ATOM 0 HZ1 LYS A 56 13.011 -8.210 9.844 1.00 13.34 H new ATOM 0 HZ2 LYS A 56 12.984 -6.525 10.055 1.00 13.34 H new ATOM 0 HZ3 LYS A 56 11.629 -7.456 10.479 1.00 13.34 H new ATOM 889 N VAL A 57 10.203 -2.856 3.851 1.00 3.24 N ATOM 890 CA VAL A 57 11.362 -2.364 3.091 1.00 53.00 C ATOM 891 C VAL A 57 11.709 -0.914 3.481 1.00 72.33 C ATOM 892 O VAL A 57 10.911 0.004 3.272 1.00 1.41 O ATOM 893 CB VAL A 57 11.130 -2.416 1.556 1.00 71.33 C ATOM 894 CG1 VAL A 57 12.397 -1.999 0.807 1.00 20.22 C ATOM 895 CG2 VAL A 57 10.664 -3.797 1.109 1.00 24.22 C ATOM 0 H VAL A 57 9.463 -2.166 3.977 1.00 3.24 H new ATOM 0 HA VAL A 57 12.188 -3.028 3.344 1.00 53.00 H new ATOM 0 HB VAL A 57 10.337 -1.708 1.314 1.00 71.33 H new ATOM 0 HG11 VAL A 57 12.215 -2.042 -0.267 1.00 20.22 H new ATOM 0 HG12 VAL A 57 12.668 -0.982 1.089 1.00 20.22 H new ATOM 0 HG13 VAL A 57 13.211 -2.676 1.064 1.00 20.22 H new ATOM 0 HG21 VAL A 57 10.511 -3.798 0.030 1.00 24.22 H new ATOM 0 HG22 VAL A 57 11.420 -4.538 1.369 1.00 24.22 H new ATOM 0 HG23 VAL A 57 9.727 -4.044 1.608 1.00 24.22 H new ATOM 905 N ASN A 58 12.897 -0.726 4.060 1.00 22.20 N ATOM 906 CA ASN A 58 13.414 0.607 4.404 1.00 11.13 C ATOM 907 C ASN A 58 12.458 1.393 5.326 1.00 54.44 C ATOM 908 O ASN A 58 11.592 2.145 4.862 1.00 3.13 O ATOM 909 CB ASN A 58 13.711 1.396 3.122 1.00 0.43 C ATOM 910 CG ASN A 58 14.251 2.789 3.394 1.00 52.11 C ATOM 911 OD1 ASN A 58 15.452 2.992 3.530 1.00 31.20 O ATOM 912 ND2 ASN A 58 13.367 3.761 3.477 1.00 53.54 N ATOM 0 H ASN A 58 13.528 -1.489 4.304 1.00 22.20 H new ATOM 0 HA ASN A 58 14.338 0.468 4.965 1.00 11.13 H new ATOM 0 HB2 ASN A 58 14.433 0.843 2.521 1.00 0.43 H new ATOM 0 HB3 ASN A 58 12.799 1.475 2.531 1.00 0.43 H new ATOM 0 HD21 ASN A 58 13.675 4.716 3.659 1.00 53.54 H new ATOM 0 HD22 ASN A 58 12.374 3.559 3.359 1.00 53.54 H new ATOM 919 N ALA A 59 12.626 1.212 6.632 1.00 14.03 N ATOM 920 CA ALA A 59 11.800 1.900 7.631 1.00 51.40 C ATOM 921 C ALA A 59 12.648 2.435 8.797 1.00 24.14 C ATOM 922 O ALA A 59 13.713 1.895 9.106 1.00 20.21 O ATOM 923 CB ALA A 59 10.718 0.960 8.152 1.00 62.05 C ATOM 0 H ALA A 59 13.331 0.591 7.030 1.00 14.03 H new ATOM 0 HA ALA A 59 11.330 2.755 7.145 1.00 51.40 H new ATOM 0 HB1 ALA A 59 10.110 1.480 8.893 1.00 62.05 H new ATOM 0 HB2 ALA A 59 10.085 0.639 7.324 1.00 62.05 H new ATOM 0 HB3 ALA A 59 11.184 0.088 8.612 1.00 62.05 H new ATOM 929 N GLY A 60 12.171 3.503 9.440 1.00 31.51 N ATOM 930 CA GLY A 60 12.883 4.082 10.576 1.00 24.11 C ATOM 931 C GLY A 60 12.987 5.605 10.514 1.00 72.12 C ATOM 932 O GLY A 60 12.014 6.315 10.778 1.00 22.14 O ATOM 0 H GLY A 60 11.303 3.979 9.195 1.00 31.51 H new ATOM 0 HA2 GLY A 60 12.375 3.797 11.497 1.00 24.11 H new ATOM 0 HA3 GLY A 60 13.886 3.658 10.621 1.00 24.11 H new ATOM 936 N LYS A 61 14.165 6.110 10.144 1.00 23.11 N ATOM 937 CA LYS A 61 14.431 7.558 10.152 1.00 43.44 C ATOM 938 C LYS A 61 14.425 8.147 8.729 1.00 50.51 C ATOM 939 O LYS A 61 15.120 7.657 7.838 1.00 70.12 O ATOM 940 CB LYS A 61 15.771 7.872 10.858 1.00 72.41 C ATOM 941 CG LYS A 61 17.037 7.402 10.126 1.00 71.04 C ATOM 942 CD LYS A 61 17.172 5.876 10.076 1.00 11.43 C ATOM 943 CE LYS A 61 17.334 5.256 11.464 1.00 24.45 C ATOM 944 NZ LYS A 61 18.567 5.722 12.149 1.00 55.35 N ATOM 0 H LYS A 61 14.953 5.541 9.834 1.00 23.11 H new ATOM 0 HA LYS A 61 13.624 8.029 10.712 1.00 43.44 H new ATOM 0 HB2 LYS A 61 15.838 8.950 11.006 1.00 72.41 H new ATOM 0 HB3 LYS A 61 15.755 7.415 11.847 1.00 72.41 H new ATOM 0 HG2 LYS A 61 17.027 7.793 9.109 1.00 71.04 H new ATOM 0 HG3 LYS A 61 17.913 7.822 10.621 1.00 71.04 H new ATOM 0 HD2 LYS A 61 16.291 5.452 9.593 1.00 11.43 H new ATOM 0 HD3 LYS A 61 18.032 5.611 9.461 1.00 11.43 H new ATOM 0 HE2 LYS A 61 16.466 5.505 12.074 1.00 24.45 H new ATOM 0 HE3 LYS A 61 17.359 4.170 11.374 1.00 24.45 H new ATOM 0 HZ1 LYS A 61 18.724 5.154 13.006 1.00 55.35 H new ATOM 0 HZ2 LYS A 61 19.380 5.616 11.510 1.00 55.35 H new ATOM 0 HZ3 LYS A 61 18.461 6.723 12.412 1.00 55.35 H new ATOM 958 N GLY A 62 13.622 9.194 8.528 1.00 61.31 N ATOM 959 CA GLY A 62 13.532 9.854 7.226 1.00 54.54 C ATOM 960 C GLY A 62 13.195 8.903 6.081 1.00 44.32 C ATOM 961 O GLY A 62 13.852 8.916 5.039 1.00 11.02 O ATOM 0 H GLY A 62 13.026 9.601 9.249 1.00 61.31 H new ATOM 0 HA2 GLY A 62 12.772 10.634 7.275 1.00 54.54 H new ATOM 0 HA3 GLY A 62 14.480 10.346 7.011 1.00 54.54 H new ATOM 965 N VAL A 63 12.164 8.081 6.269 1.00 72.54 N ATOM 966 CA VAL A 63 11.794 7.059 5.283 1.00 32.30 C ATOM 967 C VAL A 63 10.390 7.301 4.699 1.00 24.33 C ATOM 968 O VAL A 63 9.468 7.685 5.419 1.00 5.41 O ATOM 969 CB VAL A 63 11.844 5.636 5.904 1.00 11.45 C ATOM 970 CG1 VAL A 63 13.262 5.296 6.362 1.00 11.41 C ATOM 971 CG2 VAL A 63 10.852 5.508 7.063 1.00 54.13 C ATOM 0 H VAL A 63 11.567 8.101 7.096 1.00 72.54 H new ATOM 0 HA VAL A 63 12.524 7.132 4.477 1.00 32.30 H new ATOM 0 HB VAL A 63 11.554 4.921 5.134 1.00 11.45 H new ATOM 0 HG11 VAL A 63 13.275 4.295 6.794 1.00 11.41 H new ATOM 0 HG12 VAL A 63 13.938 5.331 5.508 1.00 11.41 H new ATOM 0 HG13 VAL A 63 13.585 6.019 7.111 1.00 11.41 H new ATOM 0 HG21 VAL A 63 10.907 4.502 7.480 1.00 54.13 H new ATOM 0 HG22 VAL A 63 11.100 6.235 7.836 1.00 54.13 H new ATOM 0 HG23 VAL A 63 9.842 5.695 6.699 1.00 54.13 H new ATOM 981 N PRO A 64 10.210 7.080 3.380 1.00 51.33 N ATOM 982 CA PRO A 64 8.901 7.211 2.717 1.00 31.23 C ATOM 983 C PRO A 64 8.033 5.946 2.849 1.00 60.22 C ATOM 984 O PRO A 64 6.883 5.919 2.405 1.00 4.24 O ATOM 985 CB PRO A 64 9.297 7.443 1.256 1.00 0.24 C ATOM 986 CG PRO A 64 10.547 6.645 1.088 1.00 22.11 C ATOM 987 CD PRO A 64 11.272 6.710 2.417 1.00 45.42 C ATOM 0 HA PRO A 64 8.292 8.003 3.153 1.00 31.23 H new ATOM 0 HB2 PRO A 64 8.516 7.109 0.573 1.00 0.24 H new ATOM 0 HB3 PRO A 64 9.468 8.500 1.052 1.00 0.24 H new ATOM 0 HG2 PRO A 64 10.317 5.614 0.820 1.00 22.11 H new ATOM 0 HG3 PRO A 64 11.164 7.053 0.287 1.00 22.11 H new ATOM 0 HD2 PRO A 64 11.727 5.753 2.672 1.00 45.42 H new ATOM 0 HD3 PRO A 64 12.073 7.450 2.400 1.00 45.42 H new ATOM 995 N GLY A 65 8.596 4.906 3.465 1.00 54.24 N ATOM 996 CA GLY A 65 7.889 3.638 3.605 1.00 32.00 C ATOM 997 C GLY A 65 7.809 2.851 2.298 1.00 45.02 C ATOM 998 O GLY A 65 7.011 3.183 1.414 1.00 11.21 O ATOM 0 H GLY A 65 9.532 4.918 3.871 1.00 54.24 H new ATOM 0 HA2 GLY A 65 8.390 3.030 4.358 1.00 32.00 H new ATOM 0 HA3 GLY A 65 6.880 3.829 3.970 1.00 32.00 H new ATOM 1002 N LEU A 66 8.642 1.818 2.164 1.00 30.34 N ATOM 1003 CA LEU A 66 8.626 0.963 0.975 1.00 42.33 C ATOM 1004 C LEU A 66 8.022 -0.409 1.317 1.00 44.44 C ATOM 1005 O LEU A 66 8.379 -1.025 2.326 1.00 14.40 O ATOM 1006 CB LEU A 66 10.050 0.809 0.419 1.00 42.51 C ATOM 1007 CG LEU A 66 10.795 2.126 0.153 1.00 71.43 C ATOM 1008 CD1 LEU A 66 12.194 1.857 -0.394 1.00 50.24 C ATOM 1009 CD2 LEU A 66 10.006 3.011 -0.805 1.00 5.14 C ATOM 0 H LEU A 66 9.336 1.553 2.863 1.00 30.34 H new ATOM 0 HA LEU A 66 8.005 1.428 0.209 1.00 42.33 H new ATOM 0 HB2 LEU A 66 10.635 0.215 1.121 1.00 42.51 H new ATOM 0 HB3 LEU A 66 10.000 0.244 -0.512 1.00 42.51 H new ATOM 0 HG LEU A 66 10.895 2.654 1.101 1.00 71.43 H new ATOM 0 HD11 LEU A 66 12.702 2.804 -0.575 1.00 50.24 H new ATOM 0 HD12 LEU A 66 12.762 1.273 0.330 1.00 50.24 H new ATOM 0 HD13 LEU A 66 12.119 1.302 -1.329 1.00 50.24 H new ATOM 0 HD21 LEU A 66 10.553 3.938 -0.978 1.00 5.14 H new ATOM 0 HD22 LEU A 66 9.867 2.489 -1.752 1.00 5.14 H new ATOM 0 HD23 LEU A 66 9.033 3.240 -0.371 1.00 5.14 H new ATOM 1021 N TRP A 67 7.103 -0.888 0.478 1.00 3.02 N ATOM 1022 CA TRP A 67 6.326 -2.091 0.807 1.00 33.30 C ATOM 1023 C TRP A 67 6.391 -3.172 -0.286 1.00 3.22 C ATOM 1024 O TRP A 67 6.289 -2.889 -1.481 1.00 61.44 O ATOM 1025 CB TRP A 67 4.862 -1.703 1.059 1.00 60.02 C ATOM 1026 CG TRP A 67 4.707 -0.606 2.073 1.00 12.54 C ATOM 1027 CD1 TRP A 67 4.702 0.741 1.829 1.00 51.31 C ATOM 1028 CD2 TRP A 67 4.542 -0.756 3.492 1.00 20.35 C ATOM 1029 NE1 TRP A 67 4.547 1.434 3.003 1.00 53.12 N ATOM 1030 CE2 TRP A 67 4.442 0.538 4.039 1.00 51.40 C ATOM 1031 CE3 TRP A 67 4.464 -1.857 4.351 1.00 70.34 C ATOM 1032 CZ2 TRP A 67 4.272 0.761 5.404 1.00 1.00 C ATOM 1033 CZ3 TRP A 67 4.296 -1.634 5.706 1.00 5.25 C ATOM 1034 CH2 TRP A 67 4.198 -0.335 6.220 1.00 24.34 C ATOM 0 H TRP A 67 6.878 -0.470 -0.425 1.00 3.02 H new ATOM 0 HA TRP A 67 6.772 -2.521 1.704 1.00 33.30 H new ATOM 0 HB2 TRP A 67 4.410 -1.387 0.119 1.00 60.02 H new ATOM 0 HB3 TRP A 67 4.313 -2.582 1.397 1.00 60.02 H new ATOM 0 HD1 TRP A 67 4.805 1.193 0.854 1.00 51.31 H new ATOM 0 HE1 TRP A 67 4.515 2.450 3.092 1.00 53.12 H new ATOM 0 HE3 TRP A 67 4.534 -2.863 3.964 1.00 70.34 H new ATOM 0 HZ2 TRP A 67 4.201 1.762 5.803 1.00 1.00 H new ATOM 0 HZ3 TRP A 67 4.239 -2.477 6.379 1.00 5.25 H new ATOM 0 HH2 TRP A 67 4.061 -0.195 7.282 1.00 24.34 H new ATOM 1045 N ARG A 68 6.576 -4.415 0.148 1.00 23.14 N ATOM 1046 CA ARG A 68 6.442 -5.594 -0.720 1.00 33.42 C ATOM 1047 C ARG A 68 5.232 -6.425 -0.266 1.00 40.00 C ATOM 1048 O ARG A 68 4.584 -6.082 0.718 1.00 32.53 O ATOM 1049 CB ARG A 68 7.725 -6.442 -0.666 1.00 1.32 C ATOM 1050 CG ARG A 68 8.924 -5.796 -1.355 1.00 13.44 C ATOM 1051 CD ARG A 68 10.228 -6.522 -1.027 1.00 50.11 C ATOM 1052 NE ARG A 68 10.158 -7.952 -1.307 1.00 61.14 N ATOM 1053 CZ ARG A 68 10.866 -8.853 -0.680 1.00 12.13 C ATOM 1054 NH1 ARG A 68 11.661 -8.516 0.282 1.00 2.54 N ATOM 1055 NH2 ARG A 68 10.763 -10.096 -1.010 1.00 62.30 N ATOM 0 H ARG A 68 6.824 -4.640 1.112 1.00 23.14 H new ATOM 0 HA ARG A 68 6.288 -5.270 -1.749 1.00 33.42 H new ATOM 0 HB2 ARG A 68 7.978 -6.634 0.377 1.00 1.32 H new ATOM 0 HB3 ARG A 68 7.529 -7.409 -1.130 1.00 1.32 H new ATOM 0 HG2 ARG A 68 8.768 -5.799 -2.434 1.00 13.44 H new ATOM 0 HG3 ARG A 68 9.001 -4.753 -1.047 1.00 13.44 H new ATOM 0 HD2 ARG A 68 11.040 -6.081 -1.605 1.00 50.11 H new ATOM 0 HD3 ARG A 68 10.468 -6.373 0.026 1.00 50.11 H new ATOM 0 HE ARG A 68 9.518 -8.267 -2.036 1.00 61.14 H new ATOM 0 HH11 ARG A 68 11.740 -7.538 0.559 1.00 2.54 H new ATOM 0 HH12 ARG A 68 12.209 -9.229 0.764 1.00 2.54 H new ATOM 0 HH21 ARG A 68 10.129 -10.374 -1.760 1.00 62.30 H new ATOM 0 HH22 ARG A 68 11.315 -10.801 -0.521 1.00 62.30 H new ATOM 1069 N LEU A 69 4.902 -7.497 -0.982 1.00 21.23 N ATOM 1070 CA LEU A 69 3.808 -8.383 -0.546 1.00 42.35 C ATOM 1071 C LEU A 69 4.244 -9.855 -0.468 1.00 33.20 C ATOM 1072 O LEU A 69 5.126 -10.297 -1.207 1.00 34.22 O ATOM 1073 CB LEU A 69 2.561 -8.210 -1.441 1.00 0.44 C ATOM 1074 CG LEU A 69 2.769 -8.327 -2.965 1.00 41.21 C ATOM 1075 CD1 LEU A 69 2.970 -9.779 -3.399 1.00 63.54 C ATOM 1076 CD2 LEU A 69 1.591 -7.703 -3.708 1.00 62.34 C ATOM 0 H LEU A 69 5.361 -7.776 -1.849 1.00 21.23 H new ATOM 0 HA LEU A 69 3.539 -8.083 0.467 1.00 42.35 H new ATOM 0 HB2 LEU A 69 1.824 -8.955 -1.142 1.00 0.44 H new ATOM 0 HB3 LEU A 69 2.128 -7.232 -1.233 1.00 0.44 H new ATOM 0 HG LEU A 69 3.678 -7.782 -3.220 1.00 41.21 H new ATOM 0 HD11 LEU A 69 3.113 -9.820 -4.479 1.00 63.54 H new ATOM 0 HD12 LEU A 69 3.848 -10.189 -2.901 1.00 63.54 H new ATOM 0 HD13 LEU A 69 2.092 -10.365 -3.127 1.00 63.54 H new ATOM 0 HD21 LEU A 69 1.750 -7.792 -4.783 1.00 62.34 H new ATOM 0 HD22 LEU A 69 0.672 -8.221 -3.433 1.00 62.34 H new ATOM 0 HD23 LEU A 69 1.508 -6.650 -3.440 1.00 62.34 H new ATOM 1088 N LEU A 70 3.628 -10.603 0.445 1.00 40.43 N ATOM 1089 CA LEU A 70 3.851 -12.052 0.542 1.00 5.33 C ATOM 1090 C LEU A 70 2.532 -12.821 0.374 1.00 40.35 C ATOM 1091 O LEU A 70 2.529 -14.052 0.316 1.00 42.34 O ATOM 1092 CB LEU A 70 4.523 -12.434 1.877 1.00 53.44 C ATOM 1093 CG LEU A 70 3.761 -12.050 3.164 1.00 41.33 C ATOM 1094 CD1 LEU A 70 4.197 -12.940 4.327 1.00 21.21 C ATOM 1095 CD2 LEU A 70 3.991 -10.580 3.518 1.00 74.45 C ATOM 0 H LEU A 70 2.969 -10.233 1.131 1.00 40.43 H new ATOM 0 HA LEU A 70 4.525 -12.331 -0.268 1.00 5.33 H new ATOM 0 HB2 LEU A 70 4.682 -13.512 1.883 1.00 53.44 H new ATOM 0 HB3 LEU A 70 5.507 -11.966 1.910 1.00 53.44 H new ATOM 0 HG LEU A 70 2.697 -12.199 2.982 1.00 41.33 H new ATOM 0 HD11 LEU A 70 3.651 -12.657 5.227 1.00 21.21 H new ATOM 0 HD12 LEU A 70 3.985 -13.982 4.087 1.00 21.21 H new ATOM 0 HD13 LEU A 70 5.266 -12.817 4.498 1.00 21.21 H new ATOM 0 HD21 LEU A 70 3.444 -10.335 4.428 1.00 74.45 H new ATOM 0 HD22 LEU A 70 5.055 -10.406 3.677 1.00 74.45 H new ATOM 0 HD23 LEU A 70 3.638 -9.950 2.702 1.00 74.45 H new ATOM 1107 N GLU A 71 1.422 -12.070 0.299 1.00 64.30 N ATOM 1108 CA GLU A 71 0.074 -12.633 0.057 1.00 30.32 C ATOM 1109 C GLU A 71 -0.442 -13.491 1.235 1.00 2.02 C ATOM 1110 O GLU A 71 -0.037 -14.668 1.356 1.00 36.99 O ATOM 1111 CB GLU A 71 0.056 -13.442 -1.251 1.00 61.53 C ATOM 1112 CG GLU A 71 0.418 -12.619 -2.483 1.00 33.01 C ATOM 1113 CD GLU A 71 0.305 -13.415 -3.769 1.00 30.05 C ATOM 1114 OE1 GLU A 71 -0.806 -13.476 -4.339 1.00 73.43 O ATOM 1115 OE2 GLU A 71 1.317 -13.989 -4.215 1.00 42.31 O ATOM 0 H GLU A 71 1.428 -11.055 0.404 1.00 64.30 H new ATOM 0 HA GLU A 71 -0.608 -11.787 -0.033 1.00 30.32 H new ATOM 0 HB2 GLU A 71 0.754 -14.275 -1.163 1.00 61.53 H new ATOM 0 HB3 GLU A 71 -0.936 -13.871 -1.390 1.00 61.53 H new ATOM 0 HG2 GLU A 71 -0.236 -11.749 -2.540 1.00 33.01 H new ATOM 0 HG3 GLU A 71 1.437 -12.245 -2.379 1.00 33.01 H new TER 1122 GLU A 71