USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 528 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -106:sc= -0.0653 (180deg=-1.21) USER MOD Single : A 1 MET N :NH3+ -160:sc=-0.00829 (180deg=-0.301) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 8 GLN : amide:sc= -0.697 X(o=-0.7,f=-0.51) USER MOD Single : A 11 HIS : no HD1:sc= -0.0972 K(o=-0.097,f=-1.8) USER MOD Single : A 12 THR OG1 : rot -96:sc= 0.0798 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.425 X(o=-0.43,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 23 GLN : amide:sc= -0.0126 X(o=-0.013,f=-0.013) USER MOD Single : A 25 LYS NZ :NH3+ -146:sc= 0.811 (180deg=0.248) USER MOD Single : A 27 HIS : no HE2:sc= 0.192 K(o=0.19,f=-0.84) USER MOD Single : A 30 SER OG : rot 72:sc= 0.908 USER MOD Single : A 39 GLN : amide:sc= -0.386 K(o=-0.39,f=-2.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.318 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 57 CYS SG : rot 78:sc= 0.177 USER MOD Single : A 63 THR OG1 : rot 101:sc= 0.309 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 171:sc=-0.00679 (180deg=-0.133) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.563 0.004 -0.427 1.00 0.00 N ATOM 2 CA MET A 1 2.532 0.073 -1.541 1.00 0.00 C ATOM 3 C MET A 1 3.342 -1.228 -1.596 1.00 0.00 C ATOM 4 O MET A 1 4.410 -1.320 -1.000 1.00 0.00 O ATOM 5 CB MET A 1 3.462 1.313 -1.384 1.00 0.00 C ATOM 6 CG MET A 1 2.732 2.661 -1.476 1.00 0.00 C ATOM 7 SD MET A 1 3.745 4.069 -0.941 1.00 0.00 S ATOM 8 CE MET A 1 5.120 3.999 -2.089 1.00 0.00 C ATOM 0 H1 MET A 1 0.805 0.699 -0.583 1.00 0.00 H new ATOM 0 H2 MET A 1 1.153 -0.951 -0.382 1.00 0.00 H new ATOM 0 H3 MET A 1 2.048 0.216 0.468 1.00 0.00 H new ATOM 0 HA MET A 1 1.993 0.187 -2.481 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.971 1.253 -0.422 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.232 1.276 -2.155 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.413 2.823 -2.506 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.830 2.619 -0.866 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.004 3.622 -1.575 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.870 3.334 -2.916 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.323 4.998 -2.475 1.00 0.00 H new ATOM 18 N GLN A 2 2.794 -2.258 -2.263 1.00 0.00 N ATOM 19 CA GLN A 2 3.458 -3.567 -2.381 1.00 0.00 C ATOM 20 C GLN A 2 4.367 -3.562 -3.619 1.00 0.00 C ATOM 21 O GLN A 2 3.887 -3.697 -4.746 1.00 0.00 O ATOM 22 CB GLN A 2 2.416 -4.715 -2.461 1.00 0.00 C ATOM 23 CG GLN A 2 3.040 -6.125 -2.344 1.00 0.00 C ATOM 24 CD GLN A 2 2.040 -7.281 -2.463 1.00 0.00 C ATOM 25 OE1 GLN A 2 1.030 -7.192 -3.166 1.00 0.00 O ATOM 26 NE2 GLN A 2 2.312 -8.377 -1.772 1.00 0.00 N ATOM 0 H GLN A 2 1.889 -2.208 -2.731 1.00 0.00 H new ATOM 0 HA GLN A 2 4.064 -3.742 -1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 2 1.682 -4.584 -1.666 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.879 -4.642 -3.406 1.00 0.00 H new ATOM 0 HG2 GLN A 2 3.798 -6.237 -3.119 1.00 0.00 H new ATOM 0 HG3 GLN A 2 3.551 -6.202 -1.385 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.155 -8.423 -1.199 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.679 -9.176 -1.813 1.00 0.00 H new ATOM 35 N LEU A 3 5.671 -3.350 -3.401 1.00 0.00 N ATOM 36 CA LEU A 3 6.670 -3.266 -4.475 1.00 0.00 C ATOM 37 C LEU A 3 7.743 -4.352 -4.310 1.00 0.00 C ATOM 38 O LEU A 3 7.863 -4.976 -3.256 1.00 0.00 O ATOM 39 CB LEU A 3 7.263 -1.818 -4.541 1.00 0.00 C ATOM 40 CG LEU A 3 7.671 -1.109 -3.197 1.00 0.00 C ATOM 41 CD1 LEU A 3 8.890 -1.772 -2.514 1.00 0.00 C ATOM 42 CD2 LEU A 3 7.930 0.401 -3.439 1.00 0.00 C ATOM 0 H LEU A 3 6.066 -3.231 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 3 6.191 -3.459 -5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.146 -1.851 -5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.532 -1.183 -5.041 1.00 0.00 H new ATOM 0 HG LEU A 3 6.832 -1.223 -2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.125 -1.240 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.657 -2.812 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.749 -1.732 -3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.211 0.877 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.737 0.520 -4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.024 0.868 -3.826 1.00 0.00 H new ATOM 54 N PHE A 4 8.517 -4.562 -5.372 1.00 0.00 N ATOM 55 CA PHE A 4 9.547 -5.602 -5.452 1.00 0.00 C ATOM 56 C PHE A 4 10.918 -4.961 -5.225 1.00 0.00 C ATOM 57 O PHE A 4 11.164 -3.840 -5.667 1.00 0.00 O ATOM 58 CB PHE A 4 9.472 -6.291 -6.844 1.00 0.00 C ATOM 59 CG PHE A 4 8.046 -6.699 -7.224 1.00 0.00 C ATOM 60 CD1 PHE A 4 7.523 -7.933 -6.847 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.222 -5.823 -7.941 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.225 -8.281 -7.171 1.00 0.00 C ATOM 63 CE2 PHE A 4 5.926 -6.174 -8.265 1.00 0.00 C ATOM 64 CZ PHE A 4 5.429 -7.403 -7.885 1.00 0.00 C ATOM 0 H PHE A 4 8.446 -4.002 -6.222 1.00 0.00 H new ATOM 0 HA PHE A 4 9.387 -6.360 -4.686 1.00 0.00 H new ATOM 0 HB2 PHE A 4 9.866 -5.614 -7.602 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.110 -7.174 -6.843 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.139 -8.627 -6.295 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.605 -4.860 -8.245 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.832 -9.240 -6.866 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.302 -5.486 -8.816 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.418 -7.680 -8.145 1.00 0.00 H new ATOM 74 N VAL A 5 11.784 -5.660 -4.494 1.00 0.00 N ATOM 75 CA VAL A 5 13.153 -5.227 -4.207 1.00 0.00 C ATOM 76 C VAL A 5 14.112 -6.360 -4.598 1.00 0.00 C ATOM 77 O VAL A 5 14.159 -7.420 -3.948 1.00 0.00 O ATOM 78 CB VAL A 5 13.324 -4.818 -2.690 1.00 0.00 C ATOM 79 CG1 VAL A 5 14.806 -4.647 -2.298 1.00 0.00 C ATOM 80 CG2 VAL A 5 12.533 -3.518 -2.382 1.00 0.00 C ATOM 0 H VAL A 5 11.551 -6.561 -4.076 1.00 0.00 H new ATOM 0 HA VAL A 5 13.385 -4.337 -4.792 1.00 0.00 H new ATOM 0 HB VAL A 5 12.918 -5.633 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.874 -4.366 -1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.335 -5.586 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.257 -3.868 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 5 12.663 -3.253 -1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.905 -2.708 -3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.475 -3.679 -2.587 1.00 0.00 H new ATOM 90 N ARG A 6 14.828 -6.133 -5.703 1.00 0.00 N ATOM 91 CA ARG A 6 15.817 -7.056 -6.243 1.00 0.00 C ATOM 92 C ARG A 6 17.142 -6.912 -5.466 1.00 0.00 C ATOM 93 O ARG A 6 17.946 -6.001 -5.707 1.00 0.00 O ATOM 94 CB ARG A 6 15.994 -6.798 -7.763 1.00 0.00 C ATOM 95 CG ARG A 6 17.025 -7.707 -8.463 1.00 0.00 C ATOM 96 CD ARG A 6 17.041 -7.517 -9.991 1.00 0.00 C ATOM 97 NE ARG A 6 17.188 -6.101 -10.385 1.00 0.00 N ATOM 98 CZ ARG A 6 18.352 -5.437 -10.532 1.00 0.00 C ATOM 99 NH1 ARG A 6 19.509 -6.008 -10.227 1.00 0.00 N ATOM 100 NH2 ARG A 6 18.335 -4.188 -10.961 1.00 0.00 N ATOM 0 H ARG A 6 14.730 -5.281 -6.256 1.00 0.00 H new ATOM 0 HA ARG A 6 15.478 -8.085 -6.122 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.028 -6.925 -8.253 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.291 -5.759 -7.908 1.00 0.00 H new ATOM 0 HG2 ARG A 6 18.018 -7.498 -8.064 1.00 0.00 H new ATOM 0 HG3 ARG A 6 16.801 -8.749 -8.232 1.00 0.00 H new ATOM 0 HD2 ARG A 6 17.860 -8.096 -10.417 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.117 -7.914 -10.413 1.00 0.00 H new ATOM 0 HE ARG A 6 16.330 -5.578 -10.562 1.00 0.00 H new ATOM 0 HH11 ARG A 6 19.528 -6.965 -9.875 1.00 0.00 H new ATOM 0 HH12 ARG A 6 20.380 -5.490 -10.345 1.00 0.00 H new ATOM 0 HH21 ARG A 6 17.447 -3.735 -11.177 1.00 0.00 H new ATOM 0 HH22 ARG A 6 19.210 -3.676 -11.076 1.00 0.00 H new ATOM 114 N ALA A 7 17.267 -7.771 -4.459 1.00 0.00 N ATOM 115 CA ALA A 7 18.510 -8.074 -3.734 1.00 0.00 C ATOM 116 C ALA A 7 19.130 -9.338 -4.359 1.00 0.00 C ATOM 117 O ALA A 7 18.700 -9.756 -5.450 1.00 0.00 O ATOM 118 CB ALA A 7 18.221 -8.250 -2.224 1.00 0.00 C ATOM 0 H ALA A 7 16.472 -8.303 -4.105 1.00 0.00 H new ATOM 0 HA ALA A 7 19.221 -7.252 -3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.150 -8.474 -1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 7 17.792 -7.330 -1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 7 17.517 -9.070 -2.081 1.00 0.00 H new ATOM 124 N GLN A 8 20.195 -9.887 -3.726 1.00 0.00 N ATOM 125 CA GLN A 8 20.732 -11.249 -4.045 1.00 0.00 C ATOM 126 C GLN A 8 19.600 -12.291 -4.347 1.00 0.00 C ATOM 127 O GLN A 8 19.760 -13.162 -5.207 1.00 0.00 O ATOM 128 CB GLN A 8 21.631 -11.755 -2.887 1.00 0.00 C ATOM 129 CG GLN A 8 20.890 -11.990 -1.557 1.00 0.00 C ATOM 130 CD GLN A 8 21.801 -12.419 -0.401 1.00 0.00 C ATOM 131 OE1 GLN A 8 22.844 -13.038 -0.596 1.00 0.00 O ATOM 132 NE2 GLN A 8 21.386 -12.122 0.814 1.00 0.00 N ATOM 0 H GLN A 8 20.708 -9.410 -2.985 1.00 0.00 H new ATOM 0 HA GLN A 8 21.325 -11.152 -4.954 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.105 -12.687 -3.193 1.00 0.00 H new ATOM 0 HB3 GLN A 8 22.429 -11.031 -2.721 1.00 0.00 H new ATOM 0 HG2 GLN A 8 20.371 -11.074 -1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 8 20.128 -12.755 -1.708 1.00 0.00 H new ATOM 0 HE21 GLN A 8 20.515 -11.607 0.944 1.00 0.00 H new ATOM 0 HE22 GLN A 8 21.935 -12.407 1.625 1.00 0.00 H new ATOM 141 N GLU A 9 18.450 -12.145 -3.649 1.00 0.00 N ATOM 142 CA GLU A 9 17.163 -12.789 -4.002 1.00 0.00 C ATOM 143 C GLU A 9 16.073 -11.702 -4.160 1.00 0.00 C ATOM 144 O GLU A 9 16.243 -10.572 -3.697 1.00 0.00 O ATOM 145 CB GLU A 9 16.737 -13.812 -2.921 1.00 0.00 C ATOM 146 CG GLU A 9 17.692 -15.006 -2.756 1.00 0.00 C ATOM 147 CD GLU A 9 17.130 -16.047 -1.783 1.00 0.00 C ATOM 148 OE1 GLU A 9 17.274 -15.863 -0.558 1.00 0.00 O ATOM 149 OE2 GLU A 9 16.503 -17.031 -2.239 1.00 0.00 O ATOM 0 H GLU A 9 18.389 -11.567 -2.811 1.00 0.00 H new ATOM 0 HA GLU A 9 17.288 -13.326 -4.942 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.653 -13.296 -1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.745 -14.189 -3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.866 -15.471 -3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.658 -14.653 -2.394 1.00 0.00 H new ATOM 156 N LEU A 10 14.949 -12.050 -4.816 1.00 0.00 N ATOM 157 CA LEU A 10 13.806 -11.131 -4.989 1.00 0.00 C ATOM 158 C LEU A 10 12.952 -11.159 -3.707 1.00 0.00 C ATOM 159 O LEU A 10 12.632 -12.237 -3.190 1.00 0.00 O ATOM 160 CB LEU A 10 12.976 -11.529 -6.256 1.00 0.00 C ATOM 161 CG LEU A 10 11.829 -10.549 -6.741 1.00 0.00 C ATOM 162 CD1 LEU A 10 10.508 -10.713 -5.943 1.00 0.00 C ATOM 163 CD2 LEU A 10 12.310 -9.079 -6.720 1.00 0.00 C ATOM 0 H LEU A 10 14.808 -12.968 -5.238 1.00 0.00 H new ATOM 0 HA LEU A 10 14.159 -10.112 -5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 10 13.674 -11.659 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.523 -12.502 -6.065 1.00 0.00 H new ATOM 0 HG LEU A 10 11.602 -10.828 -7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.764 -10.014 -6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.139 -11.733 -6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.692 -10.508 -4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 10 11.504 -8.428 -7.057 1.00 0.00 H new ATOM 0 HD22 LEU A 10 12.598 -8.805 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 10 13.168 -8.967 -7.383 1.00 0.00 H new ATOM 175 N HIS A 11 12.606 -9.959 -3.196 1.00 0.00 N ATOM 176 CA HIS A 11 11.835 -9.782 -1.950 1.00 0.00 C ATOM 177 C HIS A 11 10.726 -8.751 -2.188 1.00 0.00 C ATOM 178 O HIS A 11 11.005 -7.641 -2.624 1.00 0.00 O ATOM 179 CB HIS A 11 12.772 -9.305 -0.809 1.00 0.00 C ATOM 180 CG HIS A 11 13.927 -10.226 -0.555 1.00 0.00 C ATOM 181 ND1 HIS A 11 13.759 -11.497 -0.071 1.00 0.00 N ATOM 182 CD2 HIS A 11 15.246 -10.096 -0.809 1.00 0.00 C ATOM 183 CE1 HIS A 11 14.917 -12.109 -0.045 1.00 0.00 C ATOM 184 NE2 HIS A 11 15.832 -11.286 -0.492 1.00 0.00 N ATOM 0 H HIS A 11 12.857 -9.077 -3.643 1.00 0.00 H new ATOM 0 HA HIS A 11 11.390 -10.733 -1.658 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.155 -8.315 -1.055 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.191 -9.203 0.108 1.00 0.00 H new ATOM 0 HD2 HIS A 11 15.743 -9.217 -1.191 1.00 0.00 H new ATOM 0 HE1 HIS A 11 15.088 -13.122 0.289 1.00 0.00 H new ATOM 0 HE2 HIS A 11 16.825 -11.501 -0.588 1.00 0.00 H new ATOM 193 N THR A 12 9.475 -9.128 -1.916 1.00 0.00 N ATOM 194 CA THR A 12 8.316 -8.247 -2.097 1.00 0.00 C ATOM 195 C THR A 12 7.922 -7.640 -0.736 1.00 0.00 C ATOM 196 O THR A 12 7.683 -8.381 0.231 1.00 0.00 O ATOM 197 CB THR A 12 7.125 -9.038 -2.723 1.00 0.00 C ATOM 198 OG1 THR A 12 7.595 -9.769 -3.875 1.00 0.00 O ATOM 199 CG2 THR A 12 5.975 -8.105 -3.145 1.00 0.00 C ATOM 0 H THR A 12 9.235 -10.054 -1.563 1.00 0.00 H new ATOM 0 HA THR A 12 8.575 -7.440 -2.782 1.00 0.00 H new ATOM 0 HB THR A 12 6.740 -9.721 -1.966 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.413 -9.252 -4.687 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.167 -8.696 -3.576 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.605 -7.566 -2.273 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.338 -7.392 -3.886 1.00 0.00 H new ATOM 207 N PHE A 13 7.890 -6.298 -0.669 1.00 0.00 N ATOM 208 CA PHE A 13 7.616 -5.533 0.555 1.00 0.00 C ATOM 209 C PHE A 13 6.368 -4.667 0.376 1.00 0.00 C ATOM 210 O PHE A 13 6.307 -3.837 -0.539 1.00 0.00 O ATOM 211 CB PHE A 13 8.825 -4.619 0.904 1.00 0.00 C ATOM 212 CG PHE A 13 10.108 -5.372 1.237 1.00 0.00 C ATOM 213 CD1 PHE A 13 10.224 -6.063 2.437 1.00 0.00 C ATOM 214 CD2 PHE A 13 11.191 -5.385 0.366 1.00 0.00 C ATOM 215 CE1 PHE A 13 11.374 -6.748 2.750 1.00 0.00 C ATOM 216 CE2 PHE A 13 12.347 -6.070 0.682 1.00 0.00 C ATOM 217 CZ PHE A 13 12.440 -6.749 1.878 1.00 0.00 C ATOM 0 H PHE A 13 8.058 -5.705 -1.482 1.00 0.00 H new ATOM 0 HA PHE A 13 7.451 -6.241 1.367 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.017 -3.954 0.062 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.556 -3.990 1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.399 -6.062 3.134 1.00 0.00 H new ATOM 0 HD2 PHE A 13 11.127 -4.852 -0.571 1.00 0.00 H new ATOM 0 HE1 PHE A 13 11.442 -7.287 3.683 1.00 0.00 H new ATOM 0 HE2 PHE A 13 13.178 -6.074 -0.008 1.00 0.00 H new ATOM 0 HZ PHE A 13 13.346 -7.280 2.130 1.00 0.00 H new ATOM 227 N GLU A 14 5.364 -4.880 1.235 1.00 0.00 N ATOM 228 CA GLU A 14 4.278 -3.917 1.425 1.00 0.00 C ATOM 229 C GLU A 14 4.803 -2.827 2.389 1.00 0.00 C ATOM 230 O GLU A 14 5.011 -3.076 3.581 1.00 0.00 O ATOM 231 CB GLU A 14 2.947 -4.590 1.925 1.00 0.00 C ATOM 232 CG GLU A 14 2.978 -5.322 3.295 1.00 0.00 C ATOM 233 CD GLU A 14 3.694 -6.683 3.269 1.00 0.00 C ATOM 234 OE1 GLU A 14 3.064 -7.696 2.903 1.00 0.00 O ATOM 235 OE2 GLU A 14 4.894 -6.749 3.592 1.00 0.00 O ATOM 0 H GLU A 14 5.283 -5.717 1.812 1.00 0.00 H new ATOM 0 HA GLU A 14 4.001 -3.469 0.471 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.179 -3.818 1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.629 -5.308 1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.470 -4.680 4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.954 -5.470 3.638 1.00 0.00 H new ATOM 242 N VAL A 15 5.094 -1.637 1.836 1.00 0.00 N ATOM 243 CA VAL A 15 5.713 -0.521 2.569 1.00 0.00 C ATOM 244 C VAL A 15 4.715 0.627 2.749 1.00 0.00 C ATOM 245 O VAL A 15 3.753 0.762 1.981 1.00 0.00 O ATOM 246 CB VAL A 15 7.010 0.018 1.838 1.00 0.00 C ATOM 247 CG1 VAL A 15 8.091 -1.081 1.747 1.00 0.00 C ATOM 248 CG2 VAL A 15 6.692 0.606 0.433 1.00 0.00 C ATOM 0 H VAL A 15 4.904 -1.421 0.857 1.00 0.00 H new ATOM 0 HA VAL A 15 6.006 -0.906 3.546 1.00 0.00 H new ATOM 0 HB VAL A 15 7.402 0.835 2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.971 -0.685 1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.365 -1.406 2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.701 -1.930 1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.613 0.963 -0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.248 -0.168 -0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.992 1.436 0.536 1.00 0.00 H new ATOM 258 N THR A 16 4.971 1.449 3.772 1.00 0.00 N ATOM 259 CA THR A 16 4.169 2.639 4.084 1.00 0.00 C ATOM 260 C THR A 16 4.467 3.779 3.093 1.00 0.00 C ATOM 261 O THR A 16 3.628 4.664 2.878 1.00 0.00 O ATOM 262 CB THR A 16 4.479 3.124 5.538 1.00 0.00 C ATOM 263 OG1 THR A 16 5.883 3.450 5.649 1.00 0.00 O ATOM 264 CG2 THR A 16 4.120 2.052 6.587 1.00 0.00 C ATOM 0 H THR A 16 5.750 1.306 4.415 1.00 0.00 H new ATOM 0 HA THR A 16 3.116 2.369 4.001 1.00 0.00 H new ATOM 0 HB THR A 16 3.868 4.005 5.733 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.077 3.756 6.560 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.350 2.427 7.584 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.057 1.822 6.522 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.699 1.148 6.397 1.00 0.00 H new ATOM 272 N GLY A 17 5.682 3.754 2.512 1.00 0.00 N ATOM 273 CA GLY A 17 6.166 4.816 1.640 1.00 0.00 C ATOM 274 C GLY A 17 6.909 5.894 2.416 1.00 0.00 C ATOM 275 O GLY A 17 7.927 6.408 1.949 1.00 0.00 O ATOM 0 H GLY A 17 6.348 2.992 2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.827 4.392 0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.324 5.264 1.112 1.00 0.00 H new ATOM 279 N GLN A 18 6.396 6.232 3.618 1.00 0.00 N ATOM 280 CA GLN A 18 7.000 7.253 4.492 1.00 0.00 C ATOM 281 C GLN A 18 8.229 6.703 5.245 1.00 0.00 C ATOM 282 O GLN A 18 8.958 7.475 5.879 1.00 0.00 O ATOM 283 CB GLN A 18 5.956 7.827 5.486 1.00 0.00 C ATOM 284 CG GLN A 18 5.439 6.840 6.552 1.00 0.00 C ATOM 285 CD GLN A 18 4.461 7.468 7.562 1.00 0.00 C ATOM 286 OE1 GLN A 18 4.413 7.072 8.727 1.00 0.00 O ATOM 287 NE2 GLN A 18 3.635 8.410 7.117 1.00 0.00 N ATOM 0 H GLN A 18 5.555 5.805 4.006 1.00 0.00 H new ATOM 0 HA GLN A 18 7.342 8.066 3.851 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.397 8.684 5.994 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.104 8.198 4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.945 6.007 6.052 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.290 6.427 7.094 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.693 8.723 6.148 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.944 8.820 7.745 1.00 0.00 H new ATOM 296 N GLU A 19 8.449 5.369 5.197 1.00 0.00 N ATOM 297 CA GLU A 19 9.715 4.774 5.657 1.00 0.00 C ATOM 298 C GLU A 19 10.815 5.193 4.663 1.00 0.00 C ATOM 299 O GLU A 19 10.686 4.936 3.456 1.00 0.00 O ATOM 300 CB GLU A 19 9.623 3.219 5.772 1.00 0.00 C ATOM 301 CG GLU A 19 10.858 2.568 6.451 1.00 0.00 C ATOM 302 CD GLU A 19 10.766 1.040 6.675 1.00 0.00 C ATOM 303 OE1 GLU A 19 9.739 0.570 7.204 1.00 0.00 O ATOM 304 OE2 GLU A 19 11.725 0.304 6.345 1.00 0.00 O ATOM 0 H GLU A 19 7.770 4.693 4.847 1.00 0.00 H new ATOM 0 HA GLU A 19 9.947 5.136 6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.729 2.958 6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.503 2.796 4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.738 2.776 5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.017 3.050 7.416 1.00 0.00 H new ATOM 311 N THR A 20 11.854 5.887 5.173 1.00 0.00 N ATOM 312 CA THR A 20 12.935 6.452 4.347 1.00 0.00 C ATOM 313 C THR A 20 13.776 5.351 3.687 1.00 0.00 C ATOM 314 O THR A 20 13.766 4.205 4.128 1.00 0.00 O ATOM 315 CB THR A 20 13.871 7.392 5.183 1.00 0.00 C ATOM 316 OG1 THR A 20 14.433 6.674 6.299 1.00 0.00 O ATOM 317 CG2 THR A 20 13.127 8.639 5.696 1.00 0.00 C ATOM 0 H THR A 20 11.965 6.070 6.170 1.00 0.00 H new ATOM 0 HA THR A 20 12.452 7.041 3.567 1.00 0.00 H new ATOM 0 HB THR A 20 14.669 7.725 4.519 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.017 7.271 6.812 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.813 9.262 6.270 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.743 9.208 4.849 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.298 8.331 6.333 1.00 0.00 H new ATOM 325 N VAL A 21 14.511 5.731 2.636 1.00 0.00 N ATOM 326 CA VAL A 21 15.392 4.830 1.879 1.00 0.00 C ATOM 327 C VAL A 21 16.520 4.266 2.785 1.00 0.00 C ATOM 328 O VAL A 21 16.957 3.131 2.581 1.00 0.00 O ATOM 329 CB VAL A 21 15.967 5.574 0.616 1.00 0.00 C ATOM 330 CG1 VAL A 21 17.047 4.758 -0.120 1.00 0.00 C ATOM 331 CG2 VAL A 21 14.821 5.976 -0.352 1.00 0.00 C ATOM 0 H VAL A 21 14.512 6.687 2.281 1.00 0.00 H new ATOM 0 HA VAL A 21 14.811 3.977 1.529 1.00 0.00 H new ATOM 0 HB VAL A 21 16.456 6.478 0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.405 5.322 -0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 21 17.879 4.561 0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.622 3.812 -0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.239 6.489 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.292 5.082 -0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.126 6.640 0.162 1.00 0.00 H new ATOM 341 N ALA A 22 16.933 5.055 3.807 1.00 0.00 N ATOM 342 CA ALA A 22 17.916 4.625 4.832 1.00 0.00 C ATOM 343 C ALA A 22 17.386 3.421 5.610 1.00 0.00 C ATOM 344 O ALA A 22 18.047 2.376 5.700 1.00 0.00 O ATOM 345 CB ALA A 22 18.232 5.778 5.809 1.00 0.00 C ATOM 0 H ALA A 22 16.594 6.007 3.944 1.00 0.00 H new ATOM 0 HA ALA A 22 18.834 4.341 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.955 5.438 6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.648 6.620 5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 22 17.316 6.091 6.311 1.00 0.00 H new ATOM 351 N GLN A 23 16.171 3.584 6.145 1.00 0.00 N ATOM 352 CA GLN A 23 15.499 2.551 6.940 1.00 0.00 C ATOM 353 C GLN A 23 15.163 1.321 6.069 1.00 0.00 C ATOM 354 O GLN A 23 15.301 0.200 6.527 1.00 0.00 O ATOM 355 CB GLN A 23 14.228 3.137 7.602 1.00 0.00 C ATOM 356 CG GLN A 23 14.490 4.326 8.556 1.00 0.00 C ATOM 357 CD GLN A 23 15.349 3.962 9.774 1.00 0.00 C ATOM 358 OE1 GLN A 23 16.578 4.065 9.746 1.00 0.00 O ATOM 359 NE2 GLN A 23 14.704 3.553 10.861 1.00 0.00 N ATOM 0 H GLN A 23 15.625 4.439 6.038 1.00 0.00 H new ATOM 0 HA GLN A 23 16.174 2.218 7.729 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.542 3.461 6.819 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.726 2.345 8.158 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.983 5.124 8.001 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.534 4.721 8.901 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.687 3.478 10.853 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.226 3.314 11.704 1.00 0.00 H new ATOM 368 N ILE A 24 14.776 1.568 4.801 1.00 0.00 N ATOM 369 CA ILE A 24 14.456 0.510 3.816 1.00 0.00 C ATOM 370 C ILE A 24 15.694 -0.357 3.490 1.00 0.00 C ATOM 371 O ILE A 24 15.597 -1.591 3.503 1.00 0.00 O ATOM 372 CB ILE A 24 13.832 1.121 2.488 1.00 0.00 C ATOM 373 CG1 ILE A 24 12.383 1.652 2.749 1.00 0.00 C ATOM 374 CG2 ILE A 24 13.844 0.122 1.290 1.00 0.00 C ATOM 375 CD1 ILE A 24 11.338 0.579 3.030 1.00 0.00 C ATOM 0 H ILE A 24 14.676 2.512 4.428 1.00 0.00 H new ATOM 0 HA ILE A 24 13.707 -0.136 4.273 1.00 0.00 H new ATOM 0 HB ILE A 24 14.472 1.956 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.412 2.338 3.595 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.063 2.229 1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 24 13.405 0.599 0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 24 14.871 -0.168 1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 24 13.264 -0.764 1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.369 1.050 3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.271 -0.096 2.177 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.625 0.015 3.917 1.00 0.00 H new ATOM 387 N LYS A 25 16.860 0.273 3.216 1.00 0.00 N ATOM 388 CA LYS A 25 18.080 -0.476 2.844 1.00 0.00 C ATOM 389 C LYS A 25 18.624 -1.246 4.059 1.00 0.00 C ATOM 390 O LYS A 25 19.133 -2.352 3.908 1.00 0.00 O ATOM 391 CB LYS A 25 19.177 0.439 2.231 1.00 0.00 C ATOM 392 CG LYS A 25 19.876 1.416 3.206 1.00 0.00 C ATOM 393 CD LYS A 25 21.084 2.126 2.553 1.00 0.00 C ATOM 394 CE LYS A 25 21.942 2.915 3.556 1.00 0.00 C ATOM 395 NZ LYS A 25 23.223 3.375 2.945 1.00 0.00 N ATOM 0 H LYS A 25 16.980 1.285 3.245 1.00 0.00 H new ATOM 0 HA LYS A 25 17.799 -1.188 2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.938 -0.196 1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 25 18.727 1.021 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.158 2.162 3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 25 20.211 0.870 4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 25 21.709 1.383 2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 25 20.723 2.806 1.781 1.00 0.00 H new ATOM 0 HE2 LYS A 25 21.380 3.777 3.916 1.00 0.00 H new ATOM 0 HE3 LYS A 25 22.156 2.290 4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 23.974 3.366 3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 23.483 2.739 2.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.106 4.342 2.579 1.00 0.00 H new ATOM 409 N ALA A 26 18.462 -0.659 5.267 1.00 0.00 N ATOM 410 CA ALA A 26 18.844 -1.295 6.541 1.00 0.00 C ATOM 411 C ALA A 26 17.924 -2.495 6.846 1.00 0.00 C ATOM 412 O ALA A 26 18.386 -3.526 7.330 1.00 0.00 O ATOM 413 CB ALA A 26 18.795 -0.265 7.677 1.00 0.00 C ATOM 0 H ALA A 26 18.061 0.272 5.382 1.00 0.00 H new ATOM 0 HA ALA A 26 19.864 -1.668 6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 26 19.079 -0.743 8.614 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.488 0.548 7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 26 17.784 0.133 7.764 1.00 0.00 H new ATOM 419 N HIS A 27 16.620 -2.318 6.540 1.00 0.00 N ATOM 420 CA HIS A 27 15.557 -3.349 6.652 1.00 0.00 C ATOM 421 C HIS A 27 15.950 -4.601 5.840 1.00 0.00 C ATOM 422 O HIS A 27 15.998 -5.723 6.370 1.00 0.00 O ATOM 423 CB HIS A 27 14.221 -2.721 6.122 1.00 0.00 C ATOM 424 CG HIS A 27 12.938 -3.478 6.367 1.00 0.00 C ATOM 425 ND1 HIS A 27 11.748 -2.826 6.600 1.00 0.00 N ATOM 426 CD2 HIS A 27 12.642 -4.800 6.360 1.00 0.00 C ATOM 427 CE1 HIS A 27 10.784 -3.707 6.733 1.00 0.00 C ATOM 428 NE2 HIS A 27 11.298 -4.913 6.589 1.00 0.00 N ATOM 0 H HIS A 27 16.264 -1.426 6.197 1.00 0.00 H new ATOM 0 HA HIS A 27 15.426 -3.661 7.688 1.00 0.00 H new ATOM 0 HB2 HIS A 27 14.116 -1.732 6.569 1.00 0.00 H new ATOM 0 HB3 HIS A 27 14.323 -2.576 5.047 1.00 0.00 H new ATOM 0 HD1 HIS A 27 11.633 -1.814 6.660 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.337 -5.612 6.203 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.746 -3.482 6.927 1.00 0.00 H new ATOM 437 N VAL A 28 16.301 -4.364 4.563 1.00 0.00 N ATOM 438 CA VAL A 28 16.733 -5.410 3.628 1.00 0.00 C ATOM 439 C VAL A 28 18.059 -6.043 4.108 1.00 0.00 C ATOM 440 O VAL A 28 18.188 -7.254 4.124 1.00 0.00 O ATOM 441 CB VAL A 28 16.878 -4.848 2.158 1.00 0.00 C ATOM 442 CG1 VAL A 28 17.358 -5.938 1.167 1.00 0.00 C ATOM 443 CG2 VAL A 28 15.541 -4.230 1.674 1.00 0.00 C ATOM 0 H VAL A 28 16.291 -3.431 4.151 1.00 0.00 H new ATOM 0 HA VAL A 28 15.964 -6.183 3.608 1.00 0.00 H new ATOM 0 HB VAL A 28 17.639 -4.068 2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 28 17.444 -5.509 0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 28 18.330 -6.316 1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 28 16.638 -6.756 1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 28 15.662 -3.849 0.660 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.763 -4.993 1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.257 -3.413 2.337 1.00 0.00 H new ATOM 453 N ALA A 29 19.011 -5.197 4.545 1.00 0.00 N ATOM 454 CA ALA A 29 20.342 -5.636 5.021 1.00 0.00 C ATOM 455 C ALA A 29 20.249 -6.549 6.262 1.00 0.00 C ATOM 456 O ALA A 29 21.041 -7.473 6.408 1.00 0.00 O ATOM 457 CB ALA A 29 21.225 -4.421 5.326 1.00 0.00 C ATOM 0 H ALA A 29 18.881 -4.186 4.579 1.00 0.00 H new ATOM 0 HA ALA A 29 20.793 -6.221 4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 29 22.201 -4.759 5.675 1.00 0.00 H new ATOM 0 HB2 ALA A 29 21.349 -3.825 4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 29 20.754 -3.813 6.099 1.00 0.00 H new ATOM 463 N SER A 30 19.278 -6.271 7.148 1.00 0.00 N ATOM 464 CA SER A 30 19.029 -7.085 8.350 1.00 0.00 C ATOM 465 C SER A 30 18.478 -8.471 7.966 1.00 0.00 C ATOM 466 O SER A 30 18.882 -9.493 8.544 1.00 0.00 O ATOM 467 CB SER A 30 18.054 -6.349 9.294 1.00 0.00 C ATOM 468 OG SER A 30 18.588 -5.097 9.689 1.00 0.00 O ATOM 0 H SER A 30 18.645 -5.477 7.052 1.00 0.00 H new ATOM 0 HA SER A 30 19.974 -7.234 8.873 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.098 -6.200 8.793 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.861 -6.962 10.175 1.00 0.00 H new ATOM 0 HG SER A 30 18.563 -4.477 8.931 1.00 0.00 H new ATOM 474 N LEU A 31 17.569 -8.493 6.970 1.00 0.00 N ATOM 475 CA LEU A 31 16.986 -9.746 6.441 1.00 0.00 C ATOM 476 C LEU A 31 18.049 -10.603 5.714 1.00 0.00 C ATOM 477 O LEU A 31 18.079 -11.830 5.863 1.00 0.00 O ATOM 478 CB LEU A 31 15.805 -9.437 5.481 1.00 0.00 C ATOM 479 CG LEU A 31 14.605 -8.653 6.105 1.00 0.00 C ATOM 480 CD1 LEU A 31 13.531 -8.343 5.048 1.00 0.00 C ATOM 481 CD2 LEU A 31 13.993 -9.399 7.312 1.00 0.00 C ATOM 0 H LEU A 31 17.220 -7.651 6.512 1.00 0.00 H new ATOM 0 HA LEU A 31 16.613 -10.318 7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.189 -8.864 4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 31 15.430 -10.380 5.082 1.00 0.00 H new ATOM 0 HG LEU A 31 15.000 -7.706 6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.710 -7.797 5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.966 -7.736 4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.155 -9.275 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.163 -8.819 7.715 1.00 0.00 H new ATOM 0 HD22 LEU A 31 13.631 -10.376 6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 31 14.753 -9.529 8.083 1.00 0.00 H new ATOM 493 N GLU A 32 18.919 -9.935 4.943 1.00 0.00 N ATOM 494 CA GLU A 32 19.974 -10.591 4.133 1.00 0.00 C ATOM 495 C GLU A 32 21.245 -10.879 4.972 1.00 0.00 C ATOM 496 O GLU A 32 22.134 -11.611 4.513 1.00 0.00 O ATOM 497 CB GLU A 32 20.334 -9.714 2.898 1.00 0.00 C ATOM 498 CG GLU A 32 19.143 -9.277 2.012 1.00 0.00 C ATOM 499 CD GLU A 32 18.227 -10.428 1.572 1.00 0.00 C ATOM 500 OE1 GLU A 32 18.549 -11.105 0.576 1.00 0.00 O ATOM 501 OE2 GLU A 32 17.169 -10.652 2.205 1.00 0.00 O ATOM 0 H GLU A 32 18.916 -8.919 4.858 1.00 0.00 H new ATOM 0 HA GLU A 32 19.578 -11.547 3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 32 20.849 -8.820 3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 32 21.041 -10.266 2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 32 18.549 -8.544 2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 32 19.530 -8.777 1.124 1.00 0.00 H new ATOM 508 N GLY A 33 21.324 -10.280 6.184 1.00 0.00 N ATOM 509 CA GLY A 33 22.444 -10.494 7.114 1.00 0.00 C ATOM 510 C GLY A 33 23.757 -9.875 6.633 1.00 0.00 C ATOM 511 O GLY A 33 24.830 -10.465 6.798 1.00 0.00 O ATOM 0 H GLY A 33 20.614 -9.639 6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 33 22.186 -10.072 8.085 1.00 0.00 H new ATOM 0 HA3 GLY A 33 22.587 -11.565 7.259 1.00 0.00 H new ATOM 515 N ILE A 34 23.662 -8.681 6.027 1.00 0.00 N ATOM 516 CA ILE A 34 24.799 -7.965 5.404 1.00 0.00 C ATOM 517 C ILE A 34 24.862 -6.504 5.919 1.00 0.00 C ATOM 518 O ILE A 34 23.981 -6.069 6.672 1.00 0.00 O ATOM 519 CB ILE A 34 24.689 -8.002 3.830 1.00 0.00 C ATOM 520 CG1 ILE A 34 23.334 -7.375 3.355 1.00 0.00 C ATOM 521 CG2 ILE A 34 24.860 -9.451 3.296 1.00 0.00 C ATOM 522 CD1 ILE A 34 23.074 -7.468 1.858 1.00 0.00 C ATOM 0 H ILE A 34 22.781 -8.173 5.952 1.00 0.00 H new ATOM 0 HA ILE A 34 25.723 -8.470 5.687 1.00 0.00 H new ATOM 0 HB ILE A 34 25.498 -7.401 3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 34 22.518 -7.869 3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 34 23.314 -6.325 3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 34 24.780 -9.450 2.209 1.00 0.00 H new ATOM 0 HG22 ILE A 34 25.838 -9.833 3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 34 24.082 -10.088 3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 34 22.114 -7.008 1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 34 23.865 -6.948 1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 34 23.057 -8.515 1.556 1.00 0.00 H new ATOM 534 N ALA A 35 25.903 -5.764 5.490 1.00 0.00 N ATOM 535 CA ALA A 35 26.225 -4.413 6.003 1.00 0.00 C ATOM 536 C ALA A 35 25.252 -3.324 5.463 1.00 0.00 C ATOM 537 O ALA A 35 25.273 -3.042 4.265 1.00 0.00 O ATOM 538 CB ALA A 35 27.683 -4.065 5.647 1.00 0.00 C ATOM 0 H ALA A 35 26.551 -6.088 4.772 1.00 0.00 H new ATOM 0 HA ALA A 35 26.103 -4.428 7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 35 27.922 -3.071 6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 35 28.353 -4.796 6.101 1.00 0.00 H new ATOM 0 HB3 ALA A 35 27.807 -4.082 4.564 1.00 0.00 H new ATOM 544 N PRO A 36 24.403 -2.677 6.344 1.00 0.00 N ATOM 545 CA PRO A 36 23.444 -1.610 5.925 1.00 0.00 C ATOM 546 C PRO A 36 24.139 -0.382 5.296 1.00 0.00 C ATOM 547 O PRO A 36 23.606 0.213 4.349 1.00 0.00 O ATOM 548 CB PRO A 36 22.707 -1.245 7.248 1.00 0.00 C ATOM 549 CG PRO A 36 23.632 -1.700 8.335 1.00 0.00 C ATOM 550 CD PRO A 36 24.286 -2.953 7.805 1.00 0.00 C ATOM 0 HA PRO A 36 22.771 -1.953 5.139 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.516 -0.174 7.313 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.741 -1.745 7.314 1.00 0.00 H new ATOM 0 HG2 PRO A 36 24.375 -0.936 8.565 1.00 0.00 H new ATOM 0 HG3 PRO A 36 23.086 -1.901 9.257 1.00 0.00 H new ATOM 0 HD2 PRO A 36 25.260 -3.125 8.263 1.00 0.00 H new ATOM 0 HD3 PRO A 36 23.681 -3.838 8.002 1.00 0.00 H new ATOM 558 N GLU A 37 25.334 -0.034 5.815 1.00 0.00 N ATOM 559 CA GLU A 37 26.139 1.096 5.299 1.00 0.00 C ATOM 560 C GLU A 37 26.655 0.800 3.880 1.00 0.00 C ATOM 561 O GLU A 37 26.872 1.723 3.095 1.00 0.00 O ATOM 562 CB GLU A 37 27.334 1.434 6.235 1.00 0.00 C ATOM 563 CG GLU A 37 28.397 0.310 6.412 1.00 0.00 C ATOM 564 CD GLU A 37 28.190 -0.574 7.658 1.00 0.00 C ATOM 565 OE1 GLU A 37 27.260 -1.398 7.675 1.00 0.00 O ATOM 566 OE2 GLU A 37 28.963 -0.442 8.627 1.00 0.00 O ATOM 0 H GLU A 37 25.767 -0.523 6.598 1.00 0.00 H new ATOM 0 HA GLU A 37 25.481 1.964 5.266 1.00 0.00 H new ATOM 0 HB2 GLU A 37 27.833 2.322 5.848 1.00 0.00 H new ATOM 0 HB3 GLU A 37 26.939 1.692 7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 37 28.387 -0.325 5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 37 29.385 0.767 6.466 1.00 0.00 H new ATOM 573 N ASP A 38 26.834 -0.499 3.564 1.00 0.00 N ATOM 574 CA ASP A 38 27.311 -0.952 2.246 1.00 0.00 C ATOM 575 C ASP A 38 26.198 -0.830 1.198 1.00 0.00 C ATOM 576 O ASP A 38 26.467 -0.565 0.021 1.00 0.00 O ATOM 577 CB ASP A 38 27.844 -2.408 2.332 1.00 0.00 C ATOM 578 CG ASP A 38 28.303 -2.994 0.976 1.00 0.00 C ATOM 579 OD1 ASP A 38 29.314 -2.500 0.424 1.00 0.00 O ATOM 580 OD2 ASP A 38 27.669 -3.955 0.469 1.00 0.00 O ATOM 0 H ASP A 38 26.651 -1.261 4.217 1.00 0.00 H new ATOM 0 HA ASP A 38 28.135 -0.310 1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 38 28.681 -2.436 3.030 1.00 0.00 H new ATOM 0 HB3 ASP A 38 27.063 -3.046 2.745 1.00 0.00 H new ATOM 585 N GLN A 39 24.942 -0.959 1.656 1.00 0.00 N ATOM 586 CA GLN A 39 23.775 -1.012 0.766 1.00 0.00 C ATOM 587 C GLN A 39 23.420 0.376 0.221 1.00 0.00 C ATOM 588 O GLN A 39 23.727 1.407 0.833 1.00 0.00 O ATOM 589 CB GLN A 39 22.540 -1.624 1.490 1.00 0.00 C ATOM 590 CG GLN A 39 22.766 -3.012 2.119 1.00 0.00 C ATOM 591 CD GLN A 39 23.589 -3.957 1.238 1.00 0.00 C ATOM 592 OE1 GLN A 39 23.061 -4.645 0.370 1.00 0.00 O ATOM 593 NE2 GLN A 39 24.887 -4.029 1.488 1.00 0.00 N ATOM 0 H GLN A 39 24.710 -1.029 2.647 1.00 0.00 H new ATOM 0 HA GLN A 39 24.045 -1.655 -0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 39 22.221 -0.936 2.273 1.00 0.00 H new ATOM 0 HB3 GLN A 39 21.720 -1.696 0.776 1.00 0.00 H new ATOM 0 HG2 GLN A 39 23.271 -2.890 3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 39 21.799 -3.470 2.325 1.00 0.00 H new ATOM 0 HE21 GLN A 39 25.299 -3.445 2.216 1.00 0.00 H new ATOM 0 HE22 GLN A 39 25.475 -4.668 0.953 1.00 0.00 H new ATOM 602 N VAL A 40 22.807 0.361 -0.964 1.00 0.00 N ATOM 603 CA VAL A 40 22.171 1.521 -1.593 1.00 0.00 C ATOM 604 C VAL A 40 20.898 1.024 -2.307 1.00 0.00 C ATOM 605 O VAL A 40 20.881 -0.103 -2.831 1.00 0.00 O ATOM 606 CB VAL A 40 23.150 2.229 -2.616 1.00 0.00 C ATOM 607 CG1 VAL A 40 23.493 1.305 -3.806 1.00 0.00 C ATOM 608 CG2 VAL A 40 22.609 3.591 -3.115 1.00 0.00 C ATOM 0 H VAL A 40 22.737 -0.485 -1.530 1.00 0.00 H new ATOM 0 HA VAL A 40 21.918 2.264 -0.836 1.00 0.00 H new ATOM 0 HB VAL A 40 24.069 2.433 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 40 24.167 1.824 -4.487 1.00 0.00 H new ATOM 0 HG12 VAL A 40 23.976 0.401 -3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 40 22.578 1.037 -4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 40 23.321 4.031 -3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 40 21.653 3.441 -3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 40 22.472 4.261 -2.266 1.00 0.00 H new ATOM 618 N VAL A 41 19.824 1.830 -2.279 1.00 0.00 N ATOM 619 CA VAL A 41 18.591 1.545 -3.036 1.00 0.00 C ATOM 620 C VAL A 41 18.614 2.374 -4.330 1.00 0.00 C ATOM 621 O VAL A 41 18.758 3.603 -4.297 1.00 0.00 O ATOM 622 CB VAL A 41 17.288 1.834 -2.203 1.00 0.00 C ATOM 623 CG1 VAL A 41 16.013 1.565 -3.032 1.00 0.00 C ATOM 624 CG2 VAL A 41 17.272 1.001 -0.898 1.00 0.00 C ATOM 0 H VAL A 41 19.784 2.692 -1.735 1.00 0.00 H new ATOM 0 HA VAL A 41 18.564 0.481 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 41 17.297 2.892 -1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 41 15.133 1.775 -2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 41 16.009 2.208 -3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 41 15.996 0.521 -3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 41 16.362 1.218 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 41 17.303 -0.061 -1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.140 1.258 -0.291 1.00 0.00 H new ATOM 634 N LEU A 42 18.502 1.675 -5.456 1.00 0.00 N ATOM 635 CA LEU A 42 18.581 2.241 -6.801 1.00 0.00 C ATOM 636 C LEU A 42 17.227 2.040 -7.500 1.00 0.00 C ATOM 637 O LEU A 42 16.779 0.904 -7.662 1.00 0.00 O ATOM 638 CB LEU A 42 19.722 1.530 -7.597 1.00 0.00 C ATOM 639 CG LEU A 42 21.155 1.607 -6.968 1.00 0.00 C ATOM 640 CD1 LEU A 42 22.185 0.815 -7.799 1.00 0.00 C ATOM 641 CD2 LEU A 42 21.622 3.066 -6.789 1.00 0.00 C ATOM 0 H LEU A 42 18.349 0.667 -5.458 1.00 0.00 H new ATOM 0 HA LEU A 42 18.805 3.307 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 42 19.455 0.480 -7.714 1.00 0.00 H new ATOM 0 HB3 LEU A 42 19.763 1.962 -8.597 1.00 0.00 H new ATOM 0 HG LEU A 42 21.088 1.148 -5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 42 23.167 0.892 -7.331 1.00 0.00 H new ATOM 0 HD12 LEU A 42 21.887 -0.232 -7.846 1.00 0.00 H new ATOM 0 HD13 LEU A 42 22.231 1.225 -8.808 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.620 3.077 -6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 42 21.647 3.562 -7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 42 20.930 3.591 -6.131 1.00 0.00 H new ATOM 653 N LEU A 43 16.565 3.143 -7.875 1.00 0.00 N ATOM 654 CA LEU A 43 15.334 3.095 -8.680 1.00 0.00 C ATOM 655 C LEU A 43 15.731 3.041 -10.164 1.00 0.00 C ATOM 656 O LEU A 43 16.075 4.068 -10.758 1.00 0.00 O ATOM 657 CB LEU A 43 14.432 4.322 -8.363 1.00 0.00 C ATOM 658 CG LEU A 43 13.084 4.430 -9.145 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.239 3.139 -9.014 1.00 0.00 C ATOM 660 CD2 LEU A 43 12.281 5.671 -8.677 1.00 0.00 C ATOM 0 H LEU A 43 16.864 4.087 -7.632 1.00 0.00 H new ATOM 0 HA LEU A 43 14.752 2.206 -8.437 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.205 4.310 -7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.009 5.226 -8.556 1.00 0.00 H new ATOM 0 HG LEU A 43 13.323 4.552 -10.201 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.310 3.254 -9.572 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.800 2.295 -9.414 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.012 2.958 -7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.345 5.730 -9.233 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.066 5.585 -7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.867 6.572 -8.857 1.00 0.00 H new ATOM 672 N ALA A 44 15.738 1.807 -10.721 1.00 0.00 N ATOM 673 CA ALA A 44 16.204 1.521 -12.100 1.00 0.00 C ATOM 674 C ALA A 44 17.672 1.976 -12.314 1.00 0.00 C ATOM 675 O ALA A 44 18.094 2.212 -13.451 1.00 0.00 O ATOM 676 CB ALA A 44 15.248 2.148 -13.143 1.00 0.00 C ATOM 0 H ALA A 44 15.418 0.976 -10.223 1.00 0.00 H new ATOM 0 HA ALA A 44 16.187 0.441 -12.243 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.609 1.926 -14.147 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.248 1.732 -13.016 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.212 3.228 -13.001 1.00 0.00 H new ATOM 682 N GLY A 45 18.446 2.057 -11.206 1.00 0.00 N ATOM 683 CA GLY A 45 19.845 2.517 -11.223 1.00 0.00 C ATOM 684 C GLY A 45 20.043 3.902 -10.605 1.00 0.00 C ATOM 685 O GLY A 45 21.162 4.243 -10.213 1.00 0.00 O ATOM 0 H GLY A 45 18.112 1.804 -10.276 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.462 1.797 -10.685 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.200 2.534 -12.253 1.00 0.00 H new ATOM 689 N ALA A 46 18.963 4.708 -10.523 1.00 0.00 N ATOM 690 CA ALA A 46 19.020 6.072 -9.951 1.00 0.00 C ATOM 691 C ALA A 46 19.184 6.011 -8.407 1.00 0.00 C ATOM 692 O ALA A 46 18.299 5.474 -7.732 1.00 0.00 O ATOM 693 CB ALA A 46 17.760 6.867 -10.341 1.00 0.00 C ATOM 0 H ALA A 46 18.035 4.436 -10.848 1.00 0.00 H new ATOM 0 HA ALA A 46 19.889 6.586 -10.361 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.815 7.868 -9.914 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.697 6.939 -11.427 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.875 6.357 -9.959 1.00 0.00 H new ATOM 699 N PRO A 47 20.317 6.547 -7.828 1.00 0.00 N ATOM 700 CA PRO A 47 20.599 6.462 -6.373 1.00 0.00 C ATOM 701 C PRO A 47 19.580 7.246 -5.529 1.00 0.00 C ATOM 702 O PRO A 47 19.635 8.478 -5.465 1.00 0.00 O ATOM 703 CB PRO A 47 22.044 7.038 -6.226 1.00 0.00 C ATOM 704 CG PRO A 47 22.594 7.044 -7.625 1.00 0.00 C ATOM 705 CD PRO A 47 21.405 7.271 -8.529 1.00 0.00 C ATOM 0 HA PRO A 47 20.520 5.439 -6.004 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.029 8.042 -5.802 1.00 0.00 H new ATOM 0 HB3 PRO A 47 22.651 6.421 -5.564 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.337 7.831 -7.750 1.00 0.00 H new ATOM 0 HG3 PRO A 47 23.087 6.100 -7.856 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.179 8.331 -8.641 1.00 0.00 H new ATOM 0 HD3 PRO A 47 21.576 6.874 -9.530 1.00 0.00 H new ATOM 713 N LEU A 48 18.628 6.519 -4.929 1.00 0.00 N ATOM 714 CA LEU A 48 17.625 7.108 -4.038 1.00 0.00 C ATOM 715 C LEU A 48 18.294 7.588 -2.739 1.00 0.00 C ATOM 716 O LEU A 48 19.029 6.825 -2.092 1.00 0.00 O ATOM 717 CB LEU A 48 16.477 6.108 -3.738 1.00 0.00 C ATOM 718 CG LEU A 48 15.605 5.677 -4.960 1.00 0.00 C ATOM 719 CD1 LEU A 48 14.427 4.777 -4.511 1.00 0.00 C ATOM 720 CD2 LEU A 48 15.099 6.909 -5.757 1.00 0.00 C ATOM 0 H LEU A 48 18.533 5.510 -5.048 1.00 0.00 H new ATOM 0 HA LEU A 48 17.181 7.967 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 48 16.910 5.212 -3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 48 15.822 6.552 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 48 16.237 5.092 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.836 4.491 -5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.817 3.882 -4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.798 5.324 -3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.496 6.574 -6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.494 7.540 -5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.952 7.480 -6.125 1.00 0.00 H new ATOM 732 N GLU A 49 18.053 8.870 -2.394 1.00 0.00 N ATOM 733 CA GLU A 49 18.604 9.501 -1.189 1.00 0.00 C ATOM 734 C GLU A 49 18.053 8.804 0.061 1.00 0.00 C ATOM 735 O GLU A 49 16.839 8.649 0.201 1.00 0.00 O ATOM 736 CB GLU A 49 18.259 11.011 -1.153 1.00 0.00 C ATOM 737 CG GLU A 49 18.875 11.834 -2.304 1.00 0.00 C ATOM 738 CD GLU A 49 18.417 13.301 -2.288 1.00 0.00 C ATOM 739 OE1 GLU A 49 18.887 14.071 -1.425 1.00 0.00 O ATOM 740 OE2 GLU A 49 17.574 13.689 -3.121 1.00 0.00 O ATOM 0 H GLU A 49 17.468 9.494 -2.949 1.00 0.00 H new ATOM 0 HA GLU A 49 19.689 9.399 -1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 49 17.175 11.124 -1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.598 11.426 -0.204 1.00 0.00 H new ATOM 0 HG2 GLU A 49 19.962 11.795 -2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 49 18.601 11.381 -3.257 1.00 0.00 H new ATOM 747 N ASP A 50 18.965 8.393 0.947 1.00 0.00 N ATOM 748 CA ASP A 50 18.639 7.672 2.186 1.00 0.00 C ATOM 749 C ASP A 50 17.755 8.527 3.130 1.00 0.00 C ATOM 750 O ASP A 50 16.930 7.998 3.874 1.00 0.00 O ATOM 751 CB ASP A 50 19.945 7.216 2.885 1.00 0.00 C ATOM 752 CG ASP A 50 20.822 8.392 3.343 1.00 0.00 C ATOM 753 OD1 ASP A 50 21.396 9.087 2.475 1.00 0.00 O ATOM 754 OD2 ASP A 50 20.937 8.635 4.563 1.00 0.00 O ATOM 0 H ASP A 50 19.965 8.553 0.824 1.00 0.00 H new ATOM 0 HA ASP A 50 18.055 6.788 1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 50 19.693 6.600 3.748 1.00 0.00 H new ATOM 0 HB3 ASP A 50 20.517 6.588 2.201 1.00 0.00 H new ATOM 759 N GLU A 51 17.922 9.854 3.046 1.00 0.00 N ATOM 760 CA GLU A 51 17.138 10.832 3.826 1.00 0.00 C ATOM 761 C GLU A 51 15.717 11.003 3.242 1.00 0.00 C ATOM 762 O GLU A 51 14.791 11.406 3.953 1.00 0.00 O ATOM 763 CB GLU A 51 17.889 12.187 3.849 1.00 0.00 C ATOM 764 CG GLU A 51 18.192 12.775 2.452 1.00 0.00 C ATOM 765 CD GLU A 51 19.009 14.067 2.521 1.00 0.00 C ATOM 766 OE1 GLU A 51 20.256 13.992 2.584 1.00 0.00 O ATOM 767 OE2 GLU A 51 18.410 15.160 2.563 1.00 0.00 O ATOM 0 H GLU A 51 18.610 10.287 2.430 1.00 0.00 H new ATOM 0 HA GLU A 51 17.028 10.463 4.846 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.296 12.908 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.828 12.058 4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.735 12.037 1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.254 12.970 1.933 1.00 0.00 H new ATOM 774 N ALA A 52 15.572 10.696 1.943 1.00 0.00 N ATOM 775 CA ALA A 52 14.292 10.786 1.226 1.00 0.00 C ATOM 776 C ALA A 52 13.433 9.544 1.500 1.00 0.00 C ATOM 777 O ALA A 52 13.968 8.451 1.679 1.00 0.00 O ATOM 778 CB ALA A 52 14.534 10.942 -0.283 1.00 0.00 C ATOM 0 H ALA A 52 16.344 10.377 1.358 1.00 0.00 H new ATOM 0 HA ALA A 52 13.757 11.664 1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.577 11.007 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.109 11.850 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.089 10.080 -0.654 1.00 0.00 H new ATOM 784 N THR A 53 12.111 9.731 1.546 1.00 0.00 N ATOM 785 CA THR A 53 11.142 8.629 1.663 1.00 0.00 C ATOM 786 C THR A 53 10.814 8.072 0.271 1.00 0.00 C ATOM 787 O THR A 53 11.097 8.716 -0.738 1.00 0.00 O ATOM 788 CB THR A 53 9.831 9.126 2.347 1.00 0.00 C ATOM 789 OG1 THR A 53 9.240 10.172 1.560 1.00 0.00 O ATOM 790 CG2 THR A 53 10.088 9.644 3.767 1.00 0.00 C ATOM 0 H THR A 53 11.677 10.653 1.503 1.00 0.00 H new ATOM 0 HA THR A 53 11.584 7.843 2.275 1.00 0.00 H new ATOM 0 HB THR A 53 9.152 8.276 2.416 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.416 10.480 1.992 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.149 9.980 4.207 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.508 8.843 4.376 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.790 10.477 3.729 1.00 0.00 H new ATOM 798 N LEU A 54 10.193 6.883 0.224 1.00 0.00 N ATOM 799 CA LEU A 54 9.721 6.263 -1.038 1.00 0.00 C ATOM 800 C LEU A 54 8.574 7.096 -1.654 1.00 0.00 C ATOM 801 O LEU A 54 8.406 7.121 -2.883 1.00 0.00 O ATOM 802 CB LEU A 54 9.300 4.777 -0.796 1.00 0.00 C ATOM 803 CG LEU A 54 10.467 3.728 -0.788 1.00 0.00 C ATOM 804 CD1 LEU A 54 11.567 4.084 0.231 1.00 0.00 C ATOM 805 CD2 LEU A 54 9.934 2.294 -0.558 1.00 0.00 C ATOM 0 H LEU A 54 10.001 6.321 1.053 1.00 0.00 H new ATOM 0 HA LEU A 54 10.541 6.255 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.778 4.718 0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.586 4.491 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 54 10.927 3.762 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 54 12.352 3.328 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 54 11.990 5.058 -0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.138 4.119 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.768 1.592 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.420 2.247 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.239 2.032 -1.356 1.00 0.00 H new ATOM 817 N GLY A 55 7.814 7.787 -0.778 1.00 0.00 N ATOM 818 CA GLY A 55 6.766 8.719 -1.198 1.00 0.00 C ATOM 819 C GLY A 55 7.337 9.966 -1.876 1.00 0.00 C ATOM 820 O GLY A 55 6.786 10.441 -2.875 1.00 0.00 O ATOM 0 H GLY A 55 7.915 7.710 0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.087 8.213 -1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.178 9.017 -0.330 1.00 0.00 H new ATOM 824 N GLN A 56 8.454 10.488 -1.327 1.00 0.00 N ATOM 825 CA GLN A 56 9.152 11.680 -1.876 1.00 0.00 C ATOM 826 C GLN A 56 9.895 11.323 -3.178 1.00 0.00 C ATOM 827 O GLN A 56 9.956 12.127 -4.120 1.00 0.00 O ATOM 828 CB GLN A 56 10.140 12.267 -0.825 1.00 0.00 C ATOM 829 CG GLN A 56 10.816 13.591 -1.255 1.00 0.00 C ATOM 830 CD GLN A 56 11.756 14.161 -0.190 1.00 0.00 C ATOM 831 OE1 GLN A 56 12.953 13.876 -0.179 1.00 0.00 O ATOM 832 NE2 GLN A 56 11.221 14.963 0.718 1.00 0.00 N ATOM 0 H GLN A 56 8.899 10.101 -0.495 1.00 0.00 H new ATOM 0 HA GLN A 56 8.404 12.439 -2.106 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.602 12.434 0.108 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.914 11.528 -0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.378 13.423 -2.174 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.046 14.328 -1.482 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.225 15.181 0.683 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.805 15.363 1.453 1.00 0.00 H new ATOM 841 N CYS A 57 10.453 10.097 -3.214 1.00 0.00 N ATOM 842 CA CYS A 57 11.146 9.544 -4.396 1.00 0.00 C ATOM 843 C CYS A 57 10.153 9.190 -5.521 1.00 0.00 C ATOM 844 O CYS A 57 10.559 9.020 -6.680 1.00 0.00 O ATOM 845 CB CYS A 57 11.971 8.300 -3.996 1.00 0.00 C ATOM 846 SG CYS A 57 13.324 8.643 -2.846 1.00 0.00 S ATOM 0 H CYS A 57 10.436 9.458 -2.419 1.00 0.00 H new ATOM 0 HA CYS A 57 11.819 10.311 -4.778 1.00 0.00 H new ATOM 0 HB2 CYS A 57 11.304 7.566 -3.545 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.382 7.846 -4.898 1.00 0.00 H new ATOM 0 HG CYS A 57 12.848 8.781 -1.644 1.00 0.00 H new ATOM 852 N GLY A 58 8.860 9.071 -5.159 1.00 0.00 N ATOM 853 CA GLY A 58 7.791 8.789 -6.121 1.00 0.00 C ATOM 854 C GLY A 58 7.811 7.359 -6.645 1.00 0.00 C ATOM 855 O GLY A 58 7.247 7.072 -7.708 1.00 0.00 O ATOM 0 H GLY A 58 8.535 9.168 -4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.828 8.982 -5.649 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.878 9.477 -6.962 1.00 0.00 H new ATOM 859 N VAL A 59 8.479 6.458 -5.906 1.00 0.00 N ATOM 860 CA VAL A 59 8.541 5.038 -6.253 1.00 0.00 C ATOM 861 C VAL A 59 7.331 4.339 -5.615 1.00 0.00 C ATOM 862 O VAL A 59 7.303 4.048 -4.411 1.00 0.00 O ATOM 863 CB VAL A 59 9.918 4.366 -5.859 1.00 0.00 C ATOM 864 CG1 VAL A 59 10.370 4.711 -4.427 1.00 0.00 C ATOM 865 CG2 VAL A 59 9.854 2.836 -6.068 1.00 0.00 C ATOM 0 H VAL A 59 8.988 6.697 -5.055 1.00 0.00 H new ATOM 0 HA VAL A 59 8.493 4.929 -7.336 1.00 0.00 H new ATOM 0 HB VAL A 59 10.673 4.783 -6.525 1.00 0.00 H new ATOM 0 HG11 VAL A 59 11.320 4.220 -4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.491 5.790 -4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.619 4.367 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.810 2.391 -5.792 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.065 2.416 -5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.642 2.620 -7.115 1.00 0.00 H new ATOM 875 N GLU A 60 6.317 4.125 -6.454 1.00 0.00 N ATOM 876 CA GLU A 60 4.998 3.635 -6.047 1.00 0.00 C ATOM 877 C GLU A 60 4.975 2.109 -5.884 1.00 0.00 C ATOM 878 O GLU A 60 6.008 1.432 -5.975 1.00 0.00 O ATOM 879 CB GLU A 60 3.953 4.096 -7.109 1.00 0.00 C ATOM 880 CG GLU A 60 3.803 5.629 -7.233 1.00 0.00 C ATOM 881 CD GLU A 60 3.442 6.297 -5.896 1.00 0.00 C ATOM 882 OE1 GLU A 60 2.290 6.123 -5.433 1.00 0.00 O ATOM 883 OE2 GLU A 60 4.307 6.974 -5.293 1.00 0.00 O ATOM 0 H GLU A 60 6.391 4.291 -7.458 1.00 0.00 H new ATOM 0 HA GLU A 60 4.751 4.052 -5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.237 3.691 -8.080 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.983 3.667 -6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.735 6.053 -7.607 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.032 5.857 -7.969 1.00 0.00 H new ATOM 890 N ALA A 61 3.766 1.583 -5.621 1.00 0.00 N ATOM 891 CA ALA A 61 3.502 0.145 -5.586 1.00 0.00 C ATOM 892 C ALA A 61 3.751 -0.489 -6.966 1.00 0.00 C ATOM 893 O ALA A 61 3.688 0.199 -7.993 1.00 0.00 O ATOM 894 CB ALA A 61 2.055 -0.100 -5.138 1.00 0.00 C ATOM 0 H ALA A 61 2.943 2.153 -5.426 1.00 0.00 H new ATOM 0 HA ALA A 61 4.183 -0.321 -4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 61 1.859 -1.172 -5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.906 0.320 -4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.371 0.377 -5.840 1.00 0.00 H new ATOM 900 N LEU A 62 4.044 -1.799 -6.953 1.00 0.00 N ATOM 901 CA LEU A 62 4.285 -2.622 -8.165 1.00 0.00 C ATOM 902 C LEU A 62 5.504 -2.130 -8.985 1.00 0.00 C ATOM 903 O LEU A 62 5.590 -2.386 -10.188 1.00 0.00 O ATOM 904 CB LEU A 62 2.994 -2.728 -9.057 1.00 0.00 C ATOM 905 CG LEU A 62 1.799 -3.586 -8.505 1.00 0.00 C ATOM 906 CD1 LEU A 62 2.269 -4.993 -8.075 1.00 0.00 C ATOM 907 CD2 LEU A 62 1.032 -2.870 -7.370 1.00 0.00 C ATOM 0 H LEU A 62 4.123 -2.333 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 62 4.530 -3.625 -7.816 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.627 -1.718 -9.239 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.286 -3.140 -10.023 1.00 0.00 H new ATOM 0 HG LEU A 62 1.093 -3.708 -9.326 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.419 -5.561 -7.698 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.700 -5.510 -8.932 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.021 -4.902 -7.291 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.217 -3.506 -7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.712 -2.669 -6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.626 -1.929 -7.742 1.00 0.00 H new ATOM 919 N THR A 63 6.446 -1.446 -8.315 1.00 0.00 N ATOM 920 CA THR A 63 7.718 -0.988 -8.922 1.00 0.00 C ATOM 921 C THR A 63 8.881 -1.847 -8.368 1.00 0.00 C ATOM 922 O THR A 63 8.745 -2.435 -7.301 1.00 0.00 O ATOM 923 CB THR A 63 7.950 0.531 -8.604 1.00 0.00 C ATOM 924 OG1 THR A 63 6.739 1.262 -8.871 1.00 0.00 O ATOM 925 CG2 THR A 63 9.093 1.150 -9.436 1.00 0.00 C ATOM 0 H THR A 63 6.351 -1.191 -7.332 1.00 0.00 H new ATOM 0 HA THR A 63 7.673 -1.104 -10.005 1.00 0.00 H new ATOM 0 HB THR A 63 8.232 0.598 -7.553 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.271 1.440 -8.028 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.206 2.202 -9.173 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.023 0.621 -9.227 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.858 1.065 -10.497 1.00 0.00 H new ATOM 933 N THR A 64 10.018 -1.918 -9.088 1.00 0.00 N ATOM 934 CA THR A 64 11.178 -2.739 -8.679 1.00 0.00 C ATOM 935 C THR A 64 12.389 -1.840 -8.351 1.00 0.00 C ATOM 936 O THR A 64 12.825 -1.036 -9.187 1.00 0.00 O ATOM 937 CB THR A 64 11.571 -3.793 -9.771 1.00 0.00 C ATOM 938 OG1 THR A 64 10.436 -4.617 -10.076 1.00 0.00 O ATOM 939 CG2 THR A 64 12.743 -4.695 -9.317 1.00 0.00 C ATOM 0 H THR A 64 10.159 -1.413 -9.963 1.00 0.00 H new ATOM 0 HA THR A 64 10.883 -3.287 -7.784 1.00 0.00 H new ATOM 0 HB THR A 64 11.894 -3.242 -10.654 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.683 -5.274 -10.760 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.979 -5.409 -10.106 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.618 -4.079 -9.111 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.458 -5.234 -8.413 1.00 0.00 H new ATOM 947 N LEU A 65 12.882 -1.970 -7.108 1.00 0.00 N ATOM 948 CA LEU A 65 14.138 -1.358 -6.636 1.00 0.00 C ATOM 949 C LEU A 65 15.289 -2.367 -6.788 1.00 0.00 C ATOM 950 O LEU A 65 15.046 -3.559 -6.955 1.00 0.00 O ATOM 951 CB LEU A 65 14.014 -0.925 -5.138 1.00 0.00 C ATOM 952 CG LEU A 65 13.000 0.221 -4.811 1.00 0.00 C ATOM 953 CD1 LEU A 65 13.251 1.449 -5.706 1.00 0.00 C ATOM 954 CD2 LEU A 65 11.530 -0.259 -4.882 1.00 0.00 C ATOM 0 H LEU A 65 12.409 -2.515 -6.387 1.00 0.00 H new ATOM 0 HA LEU A 65 14.342 -0.472 -7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.734 -1.802 -4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.000 -0.614 -4.793 1.00 0.00 H new ATOM 0 HG LEU A 65 13.171 0.524 -3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.534 2.232 -5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.263 1.819 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.135 1.167 -6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.864 0.572 -4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.315 -0.624 -5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.375 -1.063 -4.162 1.00 0.00 H new ATOM 966 N GLU A 66 16.519 -1.861 -6.749 1.00 0.00 N ATOM 967 CA GLU A 66 17.752 -2.667 -6.743 1.00 0.00 C ATOM 968 C GLU A 66 18.568 -2.311 -5.493 1.00 0.00 C ATOM 969 O GLU A 66 18.759 -1.136 -5.204 1.00 0.00 O ATOM 970 CB GLU A 66 18.576 -2.377 -8.028 1.00 0.00 C ATOM 971 CG GLU A 66 19.994 -2.997 -8.046 1.00 0.00 C ATOM 972 CD GLU A 66 20.764 -2.723 -9.353 1.00 0.00 C ATOM 973 OE1 GLU A 66 20.872 -1.546 -9.756 1.00 0.00 O ATOM 974 OE2 GLU A 66 21.231 -3.684 -10.003 1.00 0.00 O ATOM 0 H GLU A 66 16.698 -0.857 -6.720 1.00 0.00 H new ATOM 0 HA GLU A 66 17.505 -3.728 -6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 66 18.022 -2.749 -8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.666 -1.297 -8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.566 -2.602 -7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 66 19.914 -4.074 -7.899 1.00 0.00 H new ATOM 981 N VAL A 67 19.022 -3.319 -4.742 1.00 0.00 N ATOM 982 CA VAL A 67 19.934 -3.111 -3.603 1.00 0.00 C ATOM 983 C VAL A 67 21.345 -3.547 -4.022 1.00 0.00 C ATOM 984 O VAL A 67 21.579 -4.732 -4.303 1.00 0.00 O ATOM 985 CB VAL A 67 19.460 -3.880 -2.314 1.00 0.00 C ATOM 986 CG1 VAL A 67 20.455 -3.700 -1.145 1.00 0.00 C ATOM 987 CG2 VAL A 67 18.052 -3.410 -1.887 1.00 0.00 C ATOM 0 H VAL A 67 18.773 -4.295 -4.901 1.00 0.00 H new ATOM 0 HA VAL A 67 19.935 -2.053 -3.340 1.00 0.00 H new ATOM 0 HB VAL A 67 19.421 -4.940 -2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 67 20.094 -4.245 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 67 21.432 -4.087 -1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 67 20.542 -2.641 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 67 17.742 -3.953 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 67 18.075 -2.342 -1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.344 -3.603 -2.693 1.00 0.00 H new ATOM 997 N ALA A 68 22.264 -2.572 -4.092 1.00 0.00 N ATOM 998 CA ALA A 68 23.654 -2.787 -4.534 1.00 0.00 C ATOM 999 C ALA A 68 24.649 -2.422 -3.421 1.00 0.00 C ATOM 1000 O ALA A 68 24.295 -1.710 -2.472 1.00 0.00 O ATOM 1001 CB ALA A 68 23.921 -1.965 -5.808 1.00 0.00 C ATOM 0 H ALA A 68 22.064 -1.604 -3.842 1.00 0.00 H new ATOM 0 HA ALA A 68 23.795 -3.844 -4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 68 24.949 -2.124 -6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 68 23.237 -2.281 -6.595 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.767 -0.907 -5.597 1.00 0.00 H new ATOM 1007 N GLY A 69 25.887 -2.936 -3.548 1.00 0.00 N ATOM 1008 CA GLY A 69 26.984 -2.614 -2.632 1.00 0.00 C ATOM 1009 C GLY A 69 27.852 -1.495 -3.193 1.00 0.00 C ATOM 1010 O GLY A 69 28.609 -1.719 -4.144 1.00 0.00 O ATOM 0 H GLY A 69 26.149 -3.585 -4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.579 -2.315 -1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.593 -3.502 -2.462 1.00 0.00 H new ATOM 1014 N ARG A 70 27.730 -0.282 -2.622 1.00 0.00 N ATOM 1015 CA ARG A 70 28.396 0.937 -3.136 1.00 0.00 C ATOM 1016 C ARG A 70 29.117 1.701 -2.010 1.00 0.00 C ATOM 1017 O ARG A 70 30.331 1.925 -2.077 1.00 0.00 O ATOM 1018 CB ARG A 70 27.350 1.866 -3.830 1.00 0.00 C ATOM 1019 CG ARG A 70 26.744 1.297 -5.131 1.00 0.00 C ATOM 1020 CD ARG A 70 27.783 1.099 -6.241 1.00 0.00 C ATOM 1021 NE ARG A 70 28.414 2.358 -6.664 1.00 0.00 N ATOM 1022 CZ ARG A 70 29.399 2.459 -7.573 1.00 0.00 C ATOM 1023 NH1 ARG A 70 29.929 1.379 -8.139 1.00 0.00 N ATOM 1024 NH2 ARG A 70 29.854 3.649 -7.905 1.00 0.00 N ATOM 0 H ARG A 70 27.166 -0.116 -1.789 1.00 0.00 H new ATOM 0 HA ARG A 70 29.145 0.629 -3.865 1.00 0.00 H new ATOM 0 HB2 ARG A 70 26.542 2.069 -3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 70 27.825 2.821 -4.054 1.00 0.00 H new ATOM 0 HG2 ARG A 70 26.265 0.342 -4.915 1.00 0.00 H new ATOM 0 HG3 ARG A 70 25.965 1.971 -5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 70 28.553 0.411 -5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 70 27.304 0.631 -7.101 1.00 0.00 H new ATOM 0 HE ARG A 70 28.079 3.220 -6.235 1.00 0.00 H new ATOM 0 HH11 ARG A 70 29.589 0.451 -7.886 1.00 0.00 H new ATOM 0 HH12 ARG A 70 30.676 1.478 -8.827 1.00 0.00 H new ATOM 0 HH21 ARG A 70 29.459 4.485 -7.473 1.00 0.00 H new ATOM 0 HH22 ARG A 70 30.601 3.735 -8.594 1.00 0.00 H new ATOM 1038 N MET A 71 28.359 2.089 -0.980 1.00 0.00 N ATOM 1039 CA MET A 71 28.842 2.991 0.087 1.00 0.00 C ATOM 1040 C MET A 71 29.542 2.185 1.203 1.00 0.00 C ATOM 1041 O MET A 71 29.516 0.959 1.186 1.00 0.00 O ATOM 1042 CB MET A 71 27.626 3.813 0.622 1.00 0.00 C ATOM 1043 CG MET A 71 27.969 4.967 1.581 1.00 0.00 C ATOM 1044 SD MET A 71 29.187 6.119 0.890 1.00 0.00 S ATOM 1045 CE MET A 71 28.350 6.730 -0.579 1.00 0.00 C ATOM 0 H MET A 71 27.392 1.790 -0.856 1.00 0.00 H new ATOM 0 HA MET A 71 29.587 3.683 -0.305 1.00 0.00 H new ATOM 0 HB2 MET A 71 27.085 4.223 -0.231 1.00 0.00 H new ATOM 0 HB3 MET A 71 26.947 3.131 1.133 1.00 0.00 H new ATOM 0 HG2 MET A 71 27.058 5.513 1.825 1.00 0.00 H new ATOM 0 HG3 MET A 71 28.354 4.555 2.514 1.00 0.00 H new ATOM 0 HE1 MET A 71 28.918 7.558 -1.004 1.00 0.00 H new ATOM 0 HE2 MET A 71 28.272 5.928 -1.313 1.00 0.00 H new ATOM 0 HE3 MET A 71 27.351 7.075 -0.312 1.00 0.00 H new