USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 512 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 47 SER OG : rot -150:sc= 0.0518 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= -0.0632 USER MOD Set 2.1: A 16 TYR OH : rot -130:sc= 1.07 USER MOD Set 2.2: A 19 HIS : no HD1:sc= -2.89! C(o=-1.8!,f=-2.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 21:sc= 0.331 USER MOD Single : A 3 SER OG : rot 26:sc= 0.973 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -140:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0229 X(o=-0.023,f=0) USER MOD Single : A 9 MET CE :methyl 176:sc= -3.83! (180deg=-4.08!) USER MOD Single : A 14 HIS : no HD1:sc= -1.6 X(o=-1.6,f=-1.7) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.67 X(o=-1.7,f=-2.1!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.635 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.114 -8.404 11.821 1.00 0.00 N ATOM 2 CA GLY A 1 13.551 -8.213 11.895 1.00 0.00 C ATOM 3 C GLY A 1 14.096 -7.448 10.706 1.00 0.00 C ATOM 4 O GLY A 1 13.831 -6.256 10.551 1.00 0.00 O ATOM 0 H1 GLY A 1 11.790 -8.932 12.657 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.642 -7.478 11.792 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.879 -8.939 10.961 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.796 -7.677 12.812 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.041 -9.185 11.953 1.00 0.00 H new ATOM 8 N SER A 2 14.862 -8.135 9.864 1.00 0.00 N ATOM 9 CA SER A 2 15.451 -7.511 8.684 1.00 0.00 C ATOM 10 C SER A 2 14.410 -7.339 7.583 1.00 0.00 C ATOM 11 O SER A 2 13.732 -8.292 7.200 1.00 0.00 O ATOM 12 CB SER A 2 16.621 -8.351 8.168 1.00 0.00 C ATOM 13 OG SER A 2 16.173 -9.601 7.674 1.00 0.00 O ATOM 0 H SER A 2 15.089 -9.123 9.977 1.00 0.00 H new ATOM 0 HA SER A 2 15.818 -6.525 8.970 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.141 -7.809 7.378 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.340 -8.511 8.971 1.00 0.00 H new ATOM 0 HG SER A 2 15.220 -9.543 7.455 1.00 0.00 H new ATOM 19 N SER A 3 14.289 -6.115 7.078 1.00 0.00 N ATOM 20 CA SER A 3 13.327 -5.815 6.023 1.00 0.00 C ATOM 21 C SER A 3 13.920 -6.109 4.649 1.00 0.00 C ATOM 22 O SER A 3 14.808 -5.400 4.178 1.00 0.00 O ATOM 23 CB SER A 3 12.893 -4.350 6.102 1.00 0.00 C ATOM 24 OG SER A 3 13.977 -3.481 5.823 1.00 0.00 O ATOM 0 H SER A 3 14.845 -5.316 7.382 1.00 0.00 H new ATOM 0 HA SER A 3 12.455 -6.453 6.167 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.085 -4.168 5.393 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.499 -4.137 7.096 1.00 0.00 H new ATOM 0 HG SER A 3 14.632 -3.945 5.260 1.00 0.00 H new ATOM 30 N GLY A 4 13.420 -7.162 4.008 1.00 0.00 N ATOM 31 CA GLY A 4 13.911 -7.533 2.694 1.00 0.00 C ATOM 32 C GLY A 4 13.978 -6.352 1.746 1.00 0.00 C ATOM 33 O GLY A 4 13.383 -5.306 2.004 1.00 0.00 O ATOM 0 H GLY A 4 12.684 -7.764 4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.903 -7.974 2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.262 -8.299 2.270 1.00 0.00 H new ATOM 37 N SER A 5 14.706 -6.519 0.646 1.00 0.00 N ATOM 38 CA SER A 5 14.853 -5.456 -0.341 1.00 0.00 C ATOM 39 C SER A 5 13.579 -5.302 -1.168 1.00 0.00 C ATOM 40 O SER A 5 13.023 -4.209 -1.274 1.00 0.00 O ATOM 41 CB SER A 5 16.039 -5.747 -1.262 1.00 0.00 C ATOM 42 OG SER A 5 16.063 -4.853 -2.361 1.00 0.00 O ATOM 0 H SER A 5 15.203 -7.380 0.416 1.00 0.00 H new ATOM 0 HA SER A 5 15.035 -4.523 0.191 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.969 -5.662 -0.700 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.978 -6.773 -1.625 1.00 0.00 H new ATOM 0 HG SER A 5 16.831 -5.059 -2.934 1.00 0.00 H new ATOM 48 N SER A 6 13.123 -6.406 -1.752 1.00 0.00 N ATOM 49 CA SER A 6 11.918 -6.395 -2.572 1.00 0.00 C ATOM 50 C SER A 6 10.829 -7.263 -1.950 1.00 0.00 C ATOM 51 O SER A 6 11.067 -8.417 -1.596 1.00 0.00 O ATOM 52 CB SER A 6 12.233 -6.887 -3.986 1.00 0.00 C ATOM 53 OG SER A 6 11.046 -7.081 -4.735 1.00 0.00 O ATOM 0 H SER A 6 13.570 -7.319 -1.672 1.00 0.00 H new ATOM 0 HA SER A 6 11.554 -5.369 -2.625 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.872 -6.163 -4.492 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.790 -7.822 -3.933 1.00 0.00 H new ATOM 0 HG SER A 6 11.130 -7.893 -5.277 1.00 0.00 H new ATOM 59 N GLY A 7 9.632 -6.699 -1.820 1.00 0.00 N ATOM 60 CA GLY A 7 8.524 -7.435 -1.240 1.00 0.00 C ATOM 61 C GLY A 7 7.227 -7.220 -1.995 1.00 0.00 C ATOM 62 O GLY A 7 6.928 -7.941 -2.946 1.00 0.00 O ATOM 0 H GLY A 7 9.410 -5.745 -2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.763 -8.498 -1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.392 -7.129 -0.202 1.00 0.00 H new ATOM 66 N ASN A 8 6.455 -6.226 -1.570 1.00 0.00 N ATOM 67 CA ASN A 8 5.181 -5.919 -2.212 1.00 0.00 C ATOM 68 C ASN A 8 5.099 -4.441 -2.580 1.00 0.00 C ATOM 69 O ASN A 8 5.153 -3.571 -1.711 1.00 0.00 O ATOM 70 CB ASN A 8 4.019 -6.292 -1.289 1.00 0.00 C ATOM 71 CG ASN A 8 4.297 -7.550 -0.488 1.00 0.00 C ATOM 72 OD1 ASN A 8 4.027 -8.661 -0.944 1.00 0.00 O ATOM 73 ND2 ASN A 8 4.839 -7.379 0.712 1.00 0.00 N ATOM 0 H ASN A 8 6.688 -5.619 -0.784 1.00 0.00 H new ATOM 0 HA ASN A 8 5.113 -6.507 -3.127 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.822 -5.466 -0.606 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.117 -6.436 -1.884 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.049 -8.188 1.297 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.046 -6.439 1.049 1.00 0.00 H new ATOM 80 N MET A 9 4.968 -4.165 -3.873 1.00 0.00 N ATOM 81 CA MET A 9 4.877 -2.792 -4.356 1.00 0.00 C ATOM 82 C MET A 9 3.511 -2.525 -4.980 1.00 0.00 C ATOM 83 O MET A 9 3.015 -3.323 -5.776 1.00 0.00 O ATOM 84 CB MET A 9 5.981 -2.513 -5.377 1.00 0.00 C ATOM 85 CG MET A 9 7.350 -2.305 -4.750 1.00 0.00 C ATOM 86 SD MET A 9 7.695 -0.571 -4.396 1.00 0.00 S ATOM 87 CE MET A 9 6.105 -0.029 -3.778 1.00 0.00 C ATOM 0 H MET A 9 4.922 -4.874 -4.605 1.00 0.00 H new ATOM 0 HA MET A 9 5.004 -2.124 -3.504 1.00 0.00 H new ATOM 0 HB2 MET A 9 6.034 -3.345 -6.079 1.00 0.00 H new ATOM 0 HB3 MET A 9 5.716 -1.627 -5.953 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.413 -2.880 -3.826 1.00 0.00 H new ATOM 0 HG3 MET A 9 8.116 -2.694 -5.421 1.00 0.00 H new ATOM 0 HE1 MET A 9 6.177 1.008 -3.449 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.361 -0.108 -4.570 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.808 -0.657 -2.938 1.00 0.00 H new ATOM 97 N PHE A 10 2.907 -1.399 -4.614 1.00 0.00 N ATOM 98 CA PHE A 10 1.598 -1.029 -5.138 1.00 0.00 C ATOM 99 C PHE A 10 1.421 0.487 -5.137 1.00 0.00 C ATOM 100 O PHE A 10 1.481 1.130 -4.089 1.00 0.00 O ATOM 101 CB PHE A 10 0.490 -1.683 -4.310 1.00 0.00 C ATOM 102 CG PHE A 10 0.215 -3.108 -4.697 1.00 0.00 C ATOM 103 CD1 PHE A 10 0.995 -4.138 -4.196 1.00 0.00 C ATOM 104 CD2 PHE A 10 -0.823 -3.418 -5.560 1.00 0.00 C ATOM 105 CE1 PHE A 10 0.745 -5.450 -4.550 1.00 0.00 C ATOM 106 CE2 PHE A 10 -1.078 -4.729 -5.918 1.00 0.00 C ATOM 107 CZ PHE A 10 -0.294 -5.746 -5.412 1.00 0.00 C ATOM 0 H PHE A 10 3.303 -0.727 -3.957 1.00 0.00 H new ATOM 0 HA PHE A 10 1.532 -1.385 -6.166 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.766 -1.648 -3.256 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.426 -1.102 -4.419 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.808 -3.913 -3.521 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.441 -2.626 -5.958 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.361 -6.244 -4.153 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.890 -4.957 -6.593 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.492 -6.771 -5.689 1.00 0.00 H new ATOM 117 N VAL A 11 1.204 1.052 -6.320 1.00 0.00 N ATOM 118 CA VAL A 11 1.018 2.492 -6.458 1.00 0.00 C ATOM 119 C VAL A 11 -0.454 2.870 -6.335 1.00 0.00 C ATOM 120 O VAL A 11 -1.337 2.026 -6.487 1.00 0.00 O ATOM 121 CB VAL A 11 1.557 3.001 -7.808 1.00 0.00 C ATOM 122 CG1 VAL A 11 1.715 4.514 -7.783 1.00 0.00 C ATOM 123 CG2 VAL A 11 2.876 2.324 -8.144 1.00 0.00 C ATOM 0 H VAL A 11 1.153 0.534 -7.197 1.00 0.00 H new ATOM 0 HA VAL A 11 1.580 2.963 -5.651 1.00 0.00 H new ATOM 0 HB VAL A 11 0.837 2.748 -8.586 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.097 4.856 -8.745 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.747 4.978 -7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.414 4.794 -6.995 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.242 2.696 -9.101 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.607 2.544 -7.366 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.726 1.246 -8.207 1.00 0.00 H new ATOM 133 N ALA A 12 -0.711 4.144 -6.059 1.00 0.00 N ATOM 134 CA ALA A 12 -2.076 4.635 -5.918 1.00 0.00 C ATOM 135 C ALA A 12 -2.542 5.335 -7.190 1.00 0.00 C ATOM 136 O ALA A 12 -3.598 5.014 -7.737 1.00 0.00 O ATOM 137 CB ALA A 12 -2.178 5.577 -4.728 1.00 0.00 C ATOM 0 H ALA A 12 0.009 4.855 -5.929 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.728 3.778 -5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.203 5.936 -4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.895 5.047 -3.819 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.509 6.425 -4.876 1.00 0.00 H new ATOM 143 N LEU A 13 -1.748 6.292 -7.658 1.00 0.00 N ATOM 144 CA LEU A 13 -2.080 7.039 -8.866 1.00 0.00 C ATOM 145 C LEU A 13 -3.374 7.824 -8.684 1.00 0.00 C ATOM 146 O LEU A 13 -4.086 8.102 -9.650 1.00 0.00 O ATOM 147 CB LEU A 13 -2.210 6.088 -10.057 1.00 0.00 C ATOM 148 CG LEU A 13 -1.150 4.991 -10.159 1.00 0.00 C ATOM 149 CD1 LEU A 13 -1.598 3.744 -9.412 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.858 4.665 -11.617 1.00 0.00 C ATOM 0 H LEU A 13 -0.870 6.569 -7.219 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.273 7.746 -9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.191 5.615 -10.013 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.182 6.679 -10.973 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.232 5.356 -9.698 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.831 2.974 -9.496 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.756 3.986 -8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.529 3.376 -9.843 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.101 3.882 -11.670 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.771 4.321 -12.103 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.492 5.558 -12.123 1.00 0.00 H new ATOM 162 N HIS A 14 -3.674 8.181 -7.439 1.00 0.00 N ATOM 163 CA HIS A 14 -4.882 8.937 -7.129 1.00 0.00 C ATOM 164 C HIS A 14 -4.801 9.543 -5.731 1.00 0.00 C ATOM 165 O HIS A 14 -4.013 9.099 -4.895 1.00 0.00 O ATOM 166 CB HIS A 14 -6.113 8.038 -7.238 1.00 0.00 C ATOM 167 CG HIS A 14 -6.612 7.871 -8.640 1.00 0.00 C ATOM 168 ND1 HIS A 14 -7.015 8.930 -9.427 1.00 0.00 N ATOM 169 CD2 HIS A 14 -6.770 6.761 -9.398 1.00 0.00 C ATOM 170 CE1 HIS A 14 -7.401 8.478 -10.606 1.00 0.00 C ATOM 171 NE2 HIS A 14 -7.261 7.164 -10.615 1.00 0.00 N ATOM 0 H HIS A 14 -3.097 7.959 -6.628 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.969 9.748 -7.852 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.874 7.057 -6.827 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.912 8.454 -6.624 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.550 5.746 -9.101 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.769 9.080 -11.424 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -7.482 6.549 -11.399 1.00 0.00 H new ATOM 180 N THR A 15 -5.620 10.561 -5.484 1.00 0.00 N ATOM 181 CA THR A 15 -5.640 11.228 -4.189 1.00 0.00 C ATOM 182 C THR A 15 -6.906 10.885 -3.413 1.00 0.00 C ATOM 183 O THR A 15 -7.973 11.445 -3.666 1.00 0.00 O ATOM 184 CB THR A 15 -5.545 12.758 -4.344 1.00 0.00 C ATOM 185 OG1 THR A 15 -4.575 13.090 -5.343 1.00 0.00 O ATOM 186 CG2 THR A 15 -5.166 13.413 -3.024 1.00 0.00 C ATOM 0 H THR A 15 -6.278 10.941 -6.164 1.00 0.00 H new ATOM 0 HA THR A 15 -4.771 10.871 -3.636 1.00 0.00 H new ATOM 0 HB THR A 15 -6.522 13.132 -4.649 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.522 14.064 -5.437 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.105 14.493 -3.158 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.922 13.183 -2.273 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.199 13.033 -2.694 1.00 0.00 H new ATOM 194 N TYR A 16 -6.782 9.962 -2.465 1.00 0.00 N ATOM 195 CA TYR A 16 -7.917 9.543 -1.653 1.00 0.00 C ATOM 196 C TYR A 16 -7.826 10.127 -0.247 1.00 0.00 C ATOM 197 O TYR A 16 -6.921 9.795 0.519 1.00 0.00 O ATOM 198 CB TYR A 16 -7.983 8.016 -1.579 1.00 0.00 C ATOM 199 CG TYR A 16 -9.159 7.498 -0.782 1.00 0.00 C ATOM 200 CD1 TYR A 16 -10.416 7.376 -1.362 1.00 0.00 C ATOM 201 CD2 TYR A 16 -9.013 7.132 0.550 1.00 0.00 C ATOM 202 CE1 TYR A 16 -11.493 6.904 -0.638 1.00 0.00 C ATOM 203 CE2 TYR A 16 -10.085 6.657 1.281 1.00 0.00 C ATOM 204 CZ TYR A 16 -11.323 6.546 0.683 1.00 0.00 C ATOM 205 OH TYR A 16 -12.393 6.075 1.409 1.00 0.00 O ATOM 0 H TYR A 16 -5.906 9.490 -2.241 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.826 9.917 -2.125 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.035 7.614 -2.591 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.061 7.642 -1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.553 7.655 -2.396 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.046 7.220 1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.463 6.816 -1.104 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.954 6.374 2.315 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.452 6.562 2.257 1.00 0.00 H new ATOM 215 N SER A 17 -8.772 11.000 0.087 1.00 0.00 N ATOM 216 CA SER A 17 -8.798 11.635 1.399 1.00 0.00 C ATOM 217 C SER A 17 -9.472 10.731 2.426 1.00 0.00 C ATOM 218 O SER A 17 -10.699 10.682 2.516 1.00 0.00 O ATOM 219 CB SER A 17 -9.529 12.977 1.326 1.00 0.00 C ATOM 220 OG SER A 17 -9.027 13.774 0.267 1.00 0.00 O ATOM 0 H SER A 17 -9.530 11.283 -0.533 1.00 0.00 H new ATOM 0 HA SER A 17 -7.768 11.808 1.712 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.596 12.806 1.183 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.415 13.509 2.271 1.00 0.00 H new ATOM 0 HG SER A 17 -9.511 14.625 0.240 1.00 0.00 H new ATOM 226 N ALA A 18 -8.661 10.016 3.199 1.00 0.00 N ATOM 227 CA ALA A 18 -9.178 9.114 4.221 1.00 0.00 C ATOM 228 C ALA A 18 -10.370 9.732 4.946 1.00 0.00 C ATOM 229 O ALA A 18 -10.307 10.872 5.406 1.00 0.00 O ATOM 230 CB ALA A 18 -8.082 8.758 5.214 1.00 0.00 C ATOM 0 H ALA A 18 -7.643 10.044 3.137 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.517 8.203 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.482 8.084 5.971 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.261 8.269 4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.716 9.666 5.693 1.00 0.00 H new ATOM 236 N HIS A 19 -11.456 8.971 5.044 1.00 0.00 N ATOM 237 CA HIS A 19 -12.662 9.444 5.713 1.00 0.00 C ATOM 238 C HIS A 19 -12.809 8.800 7.089 1.00 0.00 C ATOM 239 O HIS A 19 -13.416 9.375 7.992 1.00 0.00 O ATOM 240 CB HIS A 19 -13.895 9.141 4.862 1.00 0.00 C ATOM 241 CG HIS A 19 -13.747 9.545 3.427 1.00 0.00 C ATOM 242 ND1 HIS A 19 -13.212 10.755 3.038 1.00 0.00 N ATOM 243 CD2 HIS A 19 -14.065 8.892 2.285 1.00 0.00 C ATOM 244 CE1 HIS A 19 -13.210 10.829 1.719 1.00 0.00 C ATOM 245 NE2 HIS A 19 -13.722 9.710 1.238 1.00 0.00 N ATOM 0 H HIS A 19 -11.525 8.025 4.669 1.00 0.00 H new ATOM 0 HA HIS A 19 -12.575 10.523 5.843 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -14.106 8.073 4.910 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -14.756 9.655 5.289 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -14.507 7.909 2.211 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -12.851 11.662 1.133 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -13.843 9.490 0.249 1.00 0.00 H new ATOM 254 N ARG A 20 -12.249 7.605 7.240 1.00 0.00 N ATOM 255 CA ARG A 20 -12.319 6.882 8.504 1.00 0.00 C ATOM 256 C ARG A 20 -10.926 6.682 9.094 1.00 0.00 C ATOM 257 O ARG A 20 -9.912 6.784 8.403 1.00 0.00 O ATOM 258 CB ARG A 20 -13.000 5.527 8.305 1.00 0.00 C ATOM 259 CG ARG A 20 -14.508 5.570 8.490 1.00 0.00 C ATOM 260 CD ARG A 20 -15.053 4.223 8.937 1.00 0.00 C ATOM 261 NE ARG A 20 -15.031 3.238 7.859 1.00 0.00 N ATOM 262 CZ ARG A 20 -15.903 3.226 6.857 1.00 0.00 C ATOM 263 NH1 ARG A 20 -16.861 4.141 6.796 1.00 0.00 N ATOM 264 NH2 ARG A 20 -15.818 2.297 5.913 1.00 0.00 N ATOM 0 H ARG A 20 -11.741 7.116 6.502 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.908 7.477 9.202 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.776 5.161 7.303 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.576 4.810 9.009 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.764 6.330 9.228 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.982 5.863 7.553 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.464 3.854 9.777 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.075 4.346 9.294 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.307 2.520 7.876 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.930 4.857 7.520 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.529 4.129 6.025 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.083 1.591 5.957 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.488 2.289 5.144 1.00 0.00 H new ATOM 278 N PRO A 21 -10.873 6.391 10.402 1.00 0.00 N ATOM 279 CA PRO A 21 -9.610 6.170 11.114 1.00 0.00 C ATOM 280 C PRO A 21 -8.929 4.871 10.697 1.00 0.00 C ATOM 281 O PRO A 21 -7.866 4.525 11.211 1.00 0.00 O ATOM 282 CB PRO A 21 -10.038 6.102 12.582 1.00 0.00 C ATOM 283 CG PRO A 21 -11.461 5.662 12.542 1.00 0.00 C ATOM 284 CD PRO A 21 -12.042 6.253 11.287 1.00 0.00 C ATOM 0 HA PRO A 21 -8.881 6.953 10.904 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.422 5.398 13.142 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.937 7.072 13.069 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.533 4.574 12.531 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.001 6.008 13.423 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -12.801 5.604 10.851 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.517 7.215 11.478 1.00 0.00 H new ATOM 292 N GLU A 22 -9.548 4.157 9.761 1.00 0.00 N ATOM 293 CA GLU A 22 -9.000 2.896 9.276 1.00 0.00 C ATOM 294 C GLU A 22 -8.587 3.010 7.812 1.00 0.00 C ATOM 295 O GLU A 22 -7.725 2.269 7.341 1.00 0.00 O ATOM 296 CB GLU A 22 -10.025 1.772 9.442 1.00 0.00 C ATOM 297 CG GLU A 22 -11.262 1.942 8.576 1.00 0.00 C ATOM 298 CD GLU A 22 -12.357 0.953 8.923 1.00 0.00 C ATOM 299 OE1 GLU A 22 -12.120 -0.266 8.793 1.00 0.00 O ATOM 300 OE2 GLU A 22 -13.453 1.399 9.324 1.00 0.00 O ATOM 0 H GLU A 22 -10.428 4.430 9.324 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.115 2.662 9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.551 0.821 9.200 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.328 1.720 10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.644 2.956 8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.987 1.821 7.528 1.00 0.00 H new ATOM 307 N GLU A 23 -9.209 3.943 7.098 1.00 0.00 N ATOM 308 CA GLU A 23 -8.907 4.153 5.687 1.00 0.00 C ATOM 309 C GLU A 23 -7.502 4.723 5.511 1.00 0.00 C ATOM 310 O GLU A 23 -6.994 5.432 6.380 1.00 0.00 O ATOM 311 CB GLU A 23 -9.934 5.095 5.057 1.00 0.00 C ATOM 312 CG GLU A 23 -11.298 4.459 4.851 1.00 0.00 C ATOM 313 CD GLU A 23 -12.377 5.478 4.541 1.00 0.00 C ATOM 314 OE1 GLU A 23 -12.081 6.456 3.824 1.00 0.00 O ATOM 315 OE2 GLU A 23 -13.518 5.296 5.016 1.00 0.00 O ATOM 0 H GLU A 23 -9.925 4.565 7.473 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.955 3.187 5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.045 5.974 5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.555 5.441 4.095 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.239 3.738 4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.575 3.904 5.747 1.00 0.00 H new ATOM 322 N LEU A 24 -6.880 4.408 4.380 1.00 0.00 N ATOM 323 CA LEU A 24 -5.534 4.888 4.088 1.00 0.00 C ATOM 324 C LEU A 24 -5.565 5.989 3.033 1.00 0.00 C ATOM 325 O LEU A 24 -6.045 5.782 1.919 1.00 0.00 O ATOM 326 CB LEU A 24 -4.652 3.733 3.610 1.00 0.00 C ATOM 327 CG LEU A 24 -3.162 3.847 3.934 1.00 0.00 C ATOM 328 CD1 LEU A 24 -2.407 2.636 3.408 1.00 0.00 C ATOM 329 CD2 LEU A 24 -2.587 5.130 3.352 1.00 0.00 C ATOM 0 H LEU A 24 -7.286 3.822 3.650 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.116 5.301 5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.029 2.809 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.762 3.641 2.529 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.047 3.879 5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.348 2.735 3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.801 1.732 3.872 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.530 2.572 2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.526 5.195 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.715 5.128 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.108 5.988 3.777 1.00 0.00 H new ATOM 341 N ASP A 25 -5.048 7.159 3.392 1.00 0.00 N ATOM 342 CA ASP A 25 -5.013 8.293 2.476 1.00 0.00 C ATOM 343 C ASP A 25 -4.033 8.040 1.335 1.00 0.00 C ATOM 344 O ASP A 25 -2.819 8.013 1.539 1.00 0.00 O ATOM 345 CB ASP A 25 -4.626 9.569 3.224 1.00 0.00 C ATOM 346 CG ASP A 25 -3.393 9.383 4.086 1.00 0.00 C ATOM 347 OD1 ASP A 25 -3.456 8.587 5.047 1.00 0.00 O ATOM 348 OD2 ASP A 25 -2.365 10.032 3.800 1.00 0.00 O ATOM 0 H ASP A 25 -4.647 7.347 4.311 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.010 8.418 2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.446 10.368 2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.459 9.886 3.851 1.00 0.00 H new ATOM 353 N LEU A 26 -4.568 7.853 0.133 1.00 0.00 N ATOM 354 CA LEU A 26 -3.740 7.601 -1.042 1.00 0.00 C ATOM 355 C LEU A 26 -3.318 8.909 -1.702 1.00 0.00 C ATOM 356 O LEU A 26 -4.074 9.881 -1.715 1.00 0.00 O ATOM 357 CB LEU A 26 -4.498 6.730 -2.046 1.00 0.00 C ATOM 358 CG LEU A 26 -5.272 5.549 -1.461 1.00 0.00 C ATOM 359 CD1 LEU A 26 -5.931 4.741 -2.568 1.00 0.00 C ATOM 360 CD2 LEU A 26 -4.350 4.667 -0.631 1.00 0.00 C ATOM 0 H LEU A 26 -5.571 7.871 -0.054 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.843 7.074 -0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.198 7.364 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.784 6.345 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.054 5.939 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.477 3.905 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.622 5.377 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.166 4.361 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.917 3.831 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.546 4.286 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.925 5.251 0.185 1.00 0.00 H new ATOM 372 N GLN A 27 -2.108 8.926 -2.251 1.00 0.00 N ATOM 373 CA GLN A 27 -1.587 10.115 -2.915 1.00 0.00 C ATOM 374 C GLN A 27 -1.122 9.789 -4.330 1.00 0.00 C ATOM 375 O GLN A 27 -0.246 8.947 -4.529 1.00 0.00 O ATOM 376 CB GLN A 27 -0.430 10.709 -2.109 1.00 0.00 C ATOM 377 CG GLN A 27 0.587 11.450 -2.961 1.00 0.00 C ATOM 378 CD GLN A 27 1.250 12.593 -2.217 1.00 0.00 C ATOM 379 OE1 GLN A 27 2.474 12.726 -2.224 1.00 0.00 O ATOM 380 NE2 GLN A 27 0.443 13.425 -1.570 1.00 0.00 N ATOM 0 H GLN A 27 -1.470 8.130 -2.249 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.392 10.848 -2.977 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.832 11.393 -1.361 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.075 9.908 -1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.351 10.750 -3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.094 11.839 -3.852 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.566 13.277 -1.591 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.832 14.213 -1.052 1.00 0.00 H new ATOM 389 N LYS A 28 -1.713 10.461 -5.312 1.00 0.00 N ATOM 390 CA LYS A 28 -1.360 10.244 -6.710 1.00 0.00 C ATOM 391 C LYS A 28 0.155 10.217 -6.890 1.00 0.00 C ATOM 392 O LYS A 28 0.808 11.259 -6.892 1.00 0.00 O ATOM 393 CB LYS A 28 -1.969 11.339 -7.587 1.00 0.00 C ATOM 394 CG LYS A 28 -2.298 10.878 -8.996 1.00 0.00 C ATOM 395 CD LYS A 28 -2.185 12.015 -9.997 1.00 0.00 C ATOM 396 CE LYS A 28 -0.744 12.233 -10.433 1.00 0.00 C ATOM 397 NZ LYS A 28 -0.551 13.567 -11.066 1.00 0.00 N ATOM 0 H LYS A 28 -2.440 11.162 -5.165 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.762 9.278 -7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.878 11.708 -7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.275 12.177 -7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.623 10.072 -9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.309 10.471 -9.020 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.801 11.796 -10.869 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.575 12.931 -9.554 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.086 12.143 -9.569 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.456 11.452 -11.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.444 13.676 -11.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.160 13.644 -11.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.802 14.313 -10.386 1.00 0.00 H new ATOM 411 N GLY A 29 0.707 9.017 -7.042 1.00 0.00 N ATOM 412 CA GLY A 29 2.140 8.877 -7.222 1.00 0.00 C ATOM 413 C GLY A 29 2.853 8.510 -5.936 1.00 0.00 C ATOM 414 O GLY A 29 3.957 8.987 -5.673 1.00 0.00 O ATOM 0 H GLY A 29 0.187 8.139 -7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.336 8.112 -7.973 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.548 9.812 -7.606 1.00 0.00 H new ATOM 418 N GLU A 30 2.221 7.661 -5.132 1.00 0.00 N ATOM 419 CA GLU A 30 2.802 7.233 -3.865 1.00 0.00 C ATOM 420 C GLU A 30 3.008 5.721 -3.844 1.00 0.00 C ATOM 421 O GLU A 30 2.160 4.961 -4.310 1.00 0.00 O ATOM 422 CB GLU A 30 1.904 7.652 -2.699 1.00 0.00 C ATOM 423 CG GLU A 30 0.737 6.709 -2.460 1.00 0.00 C ATOM 424 CD GLU A 30 0.046 6.960 -1.134 1.00 0.00 C ATOM 425 OE1 GLU A 30 0.328 8.002 -0.507 1.00 0.00 O ATOM 426 OE2 GLU A 30 -0.776 6.114 -0.723 1.00 0.00 O ATOM 0 H GLU A 30 1.307 7.256 -5.335 1.00 0.00 H new ATOM 0 HA GLU A 30 3.773 7.717 -3.759 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.505 7.710 -1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.518 8.653 -2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.014 6.819 -3.269 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.094 5.680 -2.490 1.00 0.00 H new ATOM 433 N GLY A 31 4.143 5.292 -3.300 1.00 0.00 N ATOM 434 CA GLY A 31 4.442 3.874 -3.230 1.00 0.00 C ATOM 435 C GLY A 31 3.841 3.215 -2.004 1.00 0.00 C ATOM 436 O GLY A 31 4.306 3.431 -0.884 1.00 0.00 O ATOM 0 H GLY A 31 4.860 5.901 -2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.064 3.381 -4.126 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.523 3.734 -3.221 1.00 0.00 H new ATOM 440 N ILE A 32 2.804 2.411 -2.214 1.00 0.00 N ATOM 441 CA ILE A 32 2.139 1.720 -1.117 1.00 0.00 C ATOM 442 C ILE A 32 2.590 0.266 -1.029 1.00 0.00 C ATOM 443 O ILE A 32 2.823 -0.385 -2.048 1.00 0.00 O ATOM 444 CB ILE A 32 0.607 1.762 -1.271 1.00 0.00 C ATOM 445 CG1 ILE A 32 0.115 3.211 -1.291 1.00 0.00 C ATOM 446 CG2 ILE A 32 -0.060 0.986 -0.146 1.00 0.00 C ATOM 447 CD1 ILE A 32 -1.254 3.375 -1.913 1.00 0.00 C ATOM 0 H ILE A 32 2.406 2.222 -3.134 1.00 0.00 H new ATOM 0 HA ILE A 32 2.418 2.241 -0.201 1.00 0.00 H new ATOM 0 HB ILE A 32 0.338 1.293 -2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.089 3.592 -0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.831 3.822 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.142 1.025 -0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.271 -0.052 -0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.213 1.428 0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.539 4.427 -1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.229 3.025 -2.945 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.982 2.791 -1.349 1.00 0.00 H new ATOM 459 N ARG A 33 2.709 -0.238 0.195 1.00 0.00 N ATOM 460 CA ARG A 33 3.132 -1.616 0.416 1.00 0.00 C ATOM 461 C ARG A 33 1.980 -2.457 0.960 1.00 0.00 C ATOM 462 O ARG A 33 1.622 -2.352 2.133 1.00 0.00 O ATOM 463 CB ARG A 33 4.313 -1.660 1.387 1.00 0.00 C ATOM 464 CG ARG A 33 5.248 -2.836 1.155 1.00 0.00 C ATOM 465 CD ARG A 33 6.278 -2.956 2.267 1.00 0.00 C ATOM 466 NE ARG A 33 7.341 -3.899 1.930 1.00 0.00 N ATOM 467 CZ ARG A 33 8.316 -3.630 1.069 1.00 0.00 C ATOM 468 NH1 ARG A 33 8.363 -2.452 0.462 1.00 0.00 N ATOM 469 NH2 ARG A 33 9.247 -4.540 0.813 1.00 0.00 N ATOM 0 H ARG A 33 2.519 0.287 1.049 1.00 0.00 H new ATOM 0 HA ARG A 33 3.443 -2.033 -0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.880 -0.733 1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.932 -1.705 2.407 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.668 -3.757 1.094 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.756 -2.715 0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.712 -1.976 2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.785 -3.278 3.184 1.00 0.00 H new ATOM 0 HE ARG A 33 7.334 -4.814 2.380 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.649 -1.750 0.656 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.113 -2.248 -0.199 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.215 -5.447 1.278 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.995 -4.332 0.152 1.00 0.00 H new ATOM 483 N VAL A 34 1.405 -3.290 0.100 1.00 0.00 N ATOM 484 CA VAL A 34 0.295 -4.150 0.494 1.00 0.00 C ATOM 485 C VAL A 34 0.753 -5.225 1.472 1.00 0.00 C ATOM 486 O VAL A 34 1.604 -6.054 1.147 1.00 0.00 O ATOM 487 CB VAL A 34 -0.353 -4.826 -0.729 1.00 0.00 C ATOM 488 CG1 VAL A 34 -1.191 -6.020 -0.298 1.00 0.00 C ATOM 489 CG2 VAL A 34 -1.196 -3.826 -1.506 1.00 0.00 C ATOM 0 H VAL A 34 1.689 -3.388 -0.875 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.443 -3.512 0.980 1.00 0.00 H new ATOM 0 HB VAL A 34 0.439 -5.186 -1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.641 -6.485 -1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.556 -6.745 0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.977 -5.687 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.646 -4.321 -2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.982 -3.434 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.565 -3.006 -1.848 1.00 0.00 H new ATOM 499 N LEU A 35 0.183 -5.207 2.672 1.00 0.00 N ATOM 500 CA LEU A 35 0.532 -6.182 3.700 1.00 0.00 C ATOM 501 C LEU A 35 -0.529 -7.273 3.798 1.00 0.00 C ATOM 502 O LEU A 35 -0.290 -8.421 3.426 1.00 0.00 O ATOM 503 CB LEU A 35 0.694 -5.489 5.054 1.00 0.00 C ATOM 504 CG LEU A 35 1.250 -4.065 5.017 1.00 0.00 C ATOM 505 CD1 LEU A 35 0.703 -3.248 6.177 1.00 0.00 C ATOM 506 CD2 LEU A 35 2.771 -4.086 5.047 1.00 0.00 C ATOM 0 H LEU A 35 -0.523 -4.528 2.957 1.00 0.00 H new ATOM 0 HA LEU A 35 1.478 -6.645 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.278 -5.465 5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.351 -6.098 5.675 1.00 0.00 H new ATOM 0 HG LEU A 35 0.931 -3.595 4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.110 -2.238 6.134 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.384 -3.205 6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.991 -3.715 7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.150 -3.064 5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.110 -4.575 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.144 -4.634 4.182 1.00 0.00 H new ATOM 518 N GLY A 36 -1.705 -6.906 4.300 1.00 0.00 N ATOM 519 CA GLY A 36 -2.786 -7.864 4.436 1.00 0.00 C ATOM 520 C GLY A 36 -3.864 -7.675 3.387 1.00 0.00 C ATOM 521 O GLY A 36 -3.841 -6.704 2.631 1.00 0.00 O ATOM 0 H GLY A 36 -1.928 -5.962 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.384 -8.874 4.361 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.228 -7.770 5.428 1.00 0.00 H new ATOM 525 N LYS A 37 -4.810 -8.606 3.339 1.00 0.00 N ATOM 526 CA LYS A 37 -5.902 -8.539 2.375 1.00 0.00 C ATOM 527 C LYS A 37 -7.253 -8.523 3.084 1.00 0.00 C ATOM 528 O LYS A 37 -7.696 -9.539 3.620 1.00 0.00 O ATOM 529 CB LYS A 37 -5.834 -9.726 1.412 1.00 0.00 C ATOM 530 CG LYS A 37 -7.124 -9.964 0.648 1.00 0.00 C ATOM 531 CD LYS A 37 -6.888 -10.804 -0.596 1.00 0.00 C ATOM 532 CE LYS A 37 -6.575 -9.935 -1.805 1.00 0.00 C ATOM 533 NZ LYS A 37 -6.003 -10.730 -2.926 1.00 0.00 N ATOM 0 H LYS A 37 -4.843 -9.417 3.957 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.797 -7.614 1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.025 -9.560 0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.583 -10.625 1.974 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.844 -10.465 1.295 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.562 -9.007 0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.063 -11.494 -0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.771 -11.409 -0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.485 -9.437 -2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.872 -9.153 -1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.803 -10.102 -3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.121 -11.185 -2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.684 -11.460 -3.217 1.00 0.00 H new ATOM 547 N TYR A 38 -7.903 -7.364 3.081 1.00 0.00 N ATOM 548 CA TYR A 38 -9.203 -7.216 3.724 1.00 0.00 C ATOM 549 C TYR A 38 -10.243 -8.117 3.065 1.00 0.00 C ATOM 550 O TYR A 38 -10.817 -8.995 3.710 1.00 0.00 O ATOM 551 CB TYR A 38 -9.663 -5.759 3.663 1.00 0.00 C ATOM 552 CG TYR A 38 -10.583 -5.366 4.797 1.00 0.00 C ATOM 553 CD1 TYR A 38 -10.184 -5.503 6.121 1.00 0.00 C ATOM 554 CD2 TYR A 38 -11.852 -4.858 4.544 1.00 0.00 C ATOM 555 CE1 TYR A 38 -11.021 -5.146 7.160 1.00 0.00 C ATOM 556 CE2 TYR A 38 -12.695 -4.497 5.577 1.00 0.00 C ATOM 557 CZ TYR A 38 -12.275 -4.643 6.883 1.00 0.00 C ATOM 558 OH TYR A 38 -13.113 -4.286 7.915 1.00 0.00 O ATOM 0 H TYR A 38 -7.551 -6.514 2.641 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.099 -7.514 4.767 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.788 -5.110 3.675 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.174 -5.588 2.716 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.202 -5.895 6.341 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -12.184 -4.744 3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.695 -5.260 8.183 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -13.677 -4.103 5.363 1.00 0.00 H new ATOM 0 HH TYR A 38 -13.957 -3.949 7.549 1.00 0.00 H new ATOM 568 N GLN A 39 -10.480 -7.893 1.777 1.00 0.00 N ATOM 569 CA GLN A 39 -11.450 -8.684 1.030 1.00 0.00 C ATOM 570 C GLN A 39 -11.439 -8.305 -0.448 1.00 0.00 C ATOM 571 O GLN A 39 -10.753 -7.367 -0.853 1.00 0.00 O ATOM 572 CB GLN A 39 -12.853 -8.488 1.608 1.00 0.00 C ATOM 573 CG GLN A 39 -13.348 -7.053 1.531 1.00 0.00 C ATOM 574 CD GLN A 39 -14.765 -6.896 2.045 1.00 0.00 C ATOM 575 OE1 GLN A 39 -14.982 -6.521 3.198 1.00 0.00 O ATOM 576 NE2 GLN A 39 -15.741 -7.183 1.191 1.00 0.00 N ATOM 0 H GLN A 39 -10.014 -7.170 1.229 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.171 -9.734 1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.550 -9.133 1.074 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.856 -8.809 2.650 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.683 -6.412 2.109 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.301 -6.711 0.497 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.517 -7.490 0.245 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.715 -7.096 1.482 1.00 0.00 H new ATOM 585 N ASP A 40 -12.203 -9.041 -1.248 1.00 0.00 N ATOM 586 CA ASP A 40 -12.282 -8.782 -2.681 1.00 0.00 C ATOM 587 C ASP A 40 -12.657 -7.328 -2.950 1.00 0.00 C ATOM 588 O ASP A 40 -13.821 -6.946 -2.836 1.00 0.00 O ATOM 589 CB ASP A 40 -13.303 -9.715 -3.334 1.00 0.00 C ATOM 590 CG ASP A 40 -12.693 -11.038 -3.753 1.00 0.00 C ATOM 591 OD1 ASP A 40 -12.212 -11.776 -2.867 1.00 0.00 O ATOM 592 OD2 ASP A 40 -12.695 -11.336 -4.966 1.00 0.00 O ATOM 0 H ASP A 40 -12.776 -9.822 -0.928 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.300 -8.971 -3.115 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.120 -9.900 -2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.733 -9.224 -4.207 1.00 0.00 H new ATOM 597 N GLY A 41 -11.662 -6.522 -3.308 1.00 0.00 N ATOM 598 CA GLY A 41 -11.908 -5.119 -3.587 1.00 0.00 C ATOM 599 C GLY A 41 -11.194 -4.201 -2.615 1.00 0.00 C ATOM 600 O GLY A 41 -10.894 -3.053 -2.943 1.00 0.00 O ATOM 0 H GLY A 41 -10.690 -6.815 -3.410 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.583 -4.891 -4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.980 -4.926 -3.544 1.00 0.00 H new ATOM 604 N TRP A 42 -10.924 -4.706 -1.417 1.00 0.00 N ATOM 605 CA TRP A 42 -10.242 -3.921 -0.394 1.00 0.00 C ATOM 606 C TRP A 42 -9.000 -4.647 0.111 1.00 0.00 C ATOM 607 O TRP A 42 -9.034 -5.852 0.367 1.00 0.00 O ATOM 608 CB TRP A 42 -11.189 -3.634 0.773 1.00 0.00 C ATOM 609 CG TRP A 42 -12.331 -2.736 0.403 1.00 0.00 C ATOM 610 CD1 TRP A 42 -13.585 -3.120 0.021 1.00 0.00 C ATOM 611 CD2 TRP A 42 -12.322 -1.304 0.379 1.00 0.00 C ATOM 612 NE1 TRP A 42 -14.356 -2.012 -0.239 1.00 0.00 N ATOM 613 CE2 TRP A 42 -13.605 -0.887 -0.026 1.00 0.00 C ATOM 614 CE3 TRP A 42 -11.357 -0.335 0.662 1.00 0.00 C ATOM 615 CZ2 TRP A 42 -13.944 0.457 -0.155 1.00 0.00 C ATOM 616 CZ3 TRP A 42 -11.694 0.999 0.533 1.00 0.00 C ATOM 617 CH2 TRP A 42 -12.979 1.385 0.128 1.00 0.00 C ATOM 0 H TRP A 42 -11.166 -5.654 -1.130 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.932 -2.977 -0.842 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.585 -4.577 1.151 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.625 -3.177 1.586 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -13.921 -4.143 -0.064 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -15.330 -2.026 -0.542 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.365 -0.623 0.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.933 0.757 -0.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.955 1.757 0.748 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.212 2.436 0.037 1.00 0.00 H new ATOM 628 N LEU A 43 -7.905 -3.909 0.252 1.00 0.00 N ATOM 629 CA LEU A 43 -6.651 -4.483 0.727 1.00 0.00 C ATOM 630 C LEU A 43 -6.002 -3.583 1.774 1.00 0.00 C ATOM 631 O LEU A 43 -6.262 -2.381 1.823 1.00 0.00 O ATOM 632 CB LEU A 43 -5.690 -4.698 -0.443 1.00 0.00 C ATOM 633 CG LEU A 43 -6.309 -5.254 -1.726 1.00 0.00 C ATOM 634 CD1 LEU A 43 -5.333 -5.132 -2.886 1.00 0.00 C ATOM 635 CD2 LEU A 43 -6.728 -6.704 -1.531 1.00 0.00 C ATOM 0 H LEU A 43 -7.860 -2.911 0.044 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.873 -5.445 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.214 -3.745 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.902 -5.378 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.197 -4.668 -1.961 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.791 -5.533 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.081 -4.083 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.426 -5.693 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.166 -7.083 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.855 -7.303 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.463 -6.766 -0.728 1.00 0.00 H new ATOM 647 N LYS A 44 -5.154 -4.173 2.610 1.00 0.00 N ATOM 648 CA LYS A 44 -4.464 -3.425 3.654 1.00 0.00 C ATOM 649 C LYS A 44 -2.987 -3.251 3.313 1.00 0.00 C ATOM 650 O LYS A 44 -2.270 -4.227 3.098 1.00 0.00 O ATOM 651 CB LYS A 44 -4.606 -4.140 5.000 1.00 0.00 C ATOM 652 CG LYS A 44 -3.715 -3.568 6.089 1.00 0.00 C ATOM 653 CD LYS A 44 -4.119 -4.075 7.464 1.00 0.00 C ATOM 654 CE LYS A 44 -3.790 -3.063 8.550 1.00 0.00 C ATOM 655 NZ LYS A 44 -4.201 -3.544 9.899 1.00 0.00 N ATOM 0 H LYS A 44 -4.928 -5.167 2.585 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.922 -2.438 3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.645 -4.083 5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.371 -5.196 4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.678 -3.838 5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.770 -2.480 6.071 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.188 -4.287 7.475 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.605 -5.014 7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.719 -2.862 8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.292 -2.120 8.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.960 -2.826 10.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.227 -3.712 9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.703 -4.430 10.118 1.00 0.00 H new ATOM 669 N GLY A 45 -2.539 -2.000 3.267 1.00 0.00 N ATOM 670 CA GLY A 45 -1.149 -1.721 2.953 1.00 0.00 C ATOM 671 C GLY A 45 -0.625 -0.498 3.679 1.00 0.00 C ATOM 672 O GLY A 45 -1.402 0.317 4.179 1.00 0.00 O ATOM 0 H GLY A 45 -3.113 -1.175 3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.540 -2.585 3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.045 -1.574 1.878 1.00 0.00 H new ATOM 676 N LEU A 46 0.696 -0.370 3.741 1.00 0.00 N ATOM 677 CA LEU A 46 1.324 0.762 4.413 1.00 0.00 C ATOM 678 C LEU A 46 1.972 1.704 3.403 1.00 0.00 C ATOM 679 O LEU A 46 2.927 1.335 2.720 1.00 0.00 O ATOM 680 CB LEU A 46 2.371 0.270 5.414 1.00 0.00 C ATOM 681 CG LEU A 46 3.309 1.335 5.983 1.00 0.00 C ATOM 682 CD1 LEU A 46 4.407 1.667 4.984 1.00 0.00 C ATOM 683 CD2 LEU A 46 2.529 2.587 6.357 1.00 0.00 C ATOM 0 H LEU A 46 1.353 -1.036 3.334 1.00 0.00 H new ATOM 0 HA LEU A 46 0.549 1.311 4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.853 -0.210 6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.976 -0.497 4.929 1.00 0.00 H new ATOM 0 HG LEU A 46 3.775 0.938 6.885 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.065 2.427 5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.984 0.768 4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.960 2.044 4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.212 3.334 6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.036 2.987 5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.779 2.338 7.108 1.00 0.00 H new ATOM 695 N SER A 47 1.448 2.922 3.317 1.00 0.00 N ATOM 696 CA SER A 47 1.975 3.917 2.389 1.00 0.00 C ATOM 697 C SER A 47 3.444 4.209 2.683 1.00 0.00 C ATOM 698 O SER A 47 3.779 4.787 3.717 1.00 0.00 O ATOM 699 CB SER A 47 1.159 5.208 2.475 1.00 0.00 C ATOM 700 OG SER A 47 1.479 6.085 1.409 1.00 0.00 O ATOM 0 H SER A 47 0.659 3.244 3.878 1.00 0.00 H new ATOM 0 HA SER A 47 1.898 3.514 1.379 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.095 4.972 2.449 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.353 5.702 3.427 1.00 0.00 H new ATOM 0 HG SER A 47 1.349 7.012 1.698 1.00 0.00 H new ATOM 706 N LEU A 48 4.315 3.805 1.765 1.00 0.00 N ATOM 707 CA LEU A 48 5.749 4.023 1.924 1.00 0.00 C ATOM 708 C LEU A 48 6.089 5.507 1.826 1.00 0.00 C ATOM 709 O LEU A 48 7.181 5.931 2.205 1.00 0.00 O ATOM 710 CB LEU A 48 6.524 3.239 0.863 1.00 0.00 C ATOM 711 CG LEU A 48 6.168 1.758 0.729 1.00 0.00 C ATOM 712 CD1 LEU A 48 6.488 1.257 -0.671 1.00 0.00 C ATOM 713 CD2 LEU A 48 6.906 0.935 1.774 1.00 0.00 C ATOM 0 H LEU A 48 4.054 3.325 0.904 1.00 0.00 H new ATOM 0 HA LEU A 48 6.038 3.668 2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.365 3.719 -0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.588 3.317 1.087 1.00 0.00 H new ATOM 0 HG LEU A 48 5.097 1.645 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.228 0.201 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.913 1.826 -1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.552 1.384 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.640 -0.116 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.981 1.054 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.626 1.277 2.770 1.00 0.00 H new ATOM 725 N LEU A 49 5.146 6.292 1.316 1.00 0.00 N ATOM 726 CA LEU A 49 5.344 7.729 1.170 1.00 0.00 C ATOM 727 C LEU A 49 4.994 8.461 2.462 1.00 0.00 C ATOM 728 O LEU A 49 5.865 9.026 3.124 1.00 0.00 O ATOM 729 CB LEU A 49 4.491 8.267 0.019 1.00 0.00 C ATOM 730 CG LEU A 49 4.289 9.782 -0.015 1.00 0.00 C ATOM 731 CD1 LEU A 49 5.385 10.448 -0.833 1.00 0.00 C ATOM 732 CD2 LEU A 49 2.918 10.125 -0.579 1.00 0.00 C ATOM 0 H LEU A 49 4.237 5.957 0.997 1.00 0.00 H new ATOM 0 HA LEU A 49 6.396 7.905 0.948 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.950 7.961 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.512 7.791 0.066 1.00 0.00 H new ATOM 0 HG LEU A 49 4.345 10.160 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.225 11.526 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.355 10.231 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.361 10.065 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.792 11.208 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.834 9.734 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.145 9.679 0.047 1.00 0.00 H new ATOM 744 N THR A 50 3.713 8.446 2.817 1.00 0.00 N ATOM 745 CA THR A 50 3.248 9.107 4.030 1.00 0.00 C ATOM 746 C THR A 50 3.609 8.298 5.270 1.00 0.00 C ATOM 747 O THR A 50 3.986 8.856 6.300 1.00 0.00 O ATOM 748 CB THR A 50 1.724 9.327 4.001 1.00 0.00 C ATOM 749 OG1 THR A 50 1.061 8.115 3.623 1.00 0.00 O ATOM 750 CG2 THR A 50 1.356 10.437 3.028 1.00 0.00 C ATOM 0 H THR A 50 2.979 7.983 2.281 1.00 0.00 H new ATOM 0 HA THR A 50 3.747 10.075 4.073 1.00 0.00 H new ATOM 0 HB THR A 50 1.402 9.620 5.000 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.092 8.263 3.608 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.275 10.574 3.025 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.839 11.365 3.335 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.691 10.168 2.026 1.00 0.00 H new ATOM 758 N GLY A 51 3.493 6.977 5.164 1.00 0.00 N ATOM 759 CA GLY A 51 3.813 6.112 6.285 1.00 0.00 C ATOM 760 C GLY A 51 2.592 5.758 7.110 1.00 0.00 C ATOM 761 O GLY A 51 2.683 5.594 8.327 1.00 0.00 O ATOM 0 H GLY A 51 3.183 6.491 4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.275 5.197 5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.548 6.604 6.922 1.00 0.00 H new ATOM 765 N ARG A 52 1.445 5.642 6.448 1.00 0.00 N ATOM 766 CA ARG A 52 0.200 5.308 7.129 1.00 0.00 C ATOM 767 C ARG A 52 -0.344 3.968 6.643 1.00 0.00 C ATOM 768 O ARG A 52 -0.153 3.591 5.486 1.00 0.00 O ATOM 769 CB ARG A 52 -0.841 6.406 6.901 1.00 0.00 C ATOM 770 CG ARG A 52 -0.309 7.809 7.144 1.00 0.00 C ATOM 771 CD ARG A 52 -1.435 8.789 7.436 1.00 0.00 C ATOM 772 NE ARG A 52 -0.960 9.974 8.144 1.00 0.00 N ATOM 773 CZ ARG A 52 -1.760 10.814 8.791 1.00 0.00 C ATOM 774 NH1 ARG A 52 -3.068 10.600 8.818 1.00 0.00 N ATOM 775 NH2 ARG A 52 -1.252 11.871 9.412 1.00 0.00 N ATOM 0 H ARG A 52 1.352 5.774 5.441 1.00 0.00 H new ATOM 0 HA ARG A 52 0.409 5.230 8.196 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.210 6.339 5.877 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.692 6.230 7.559 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.389 7.795 7.981 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.249 8.144 6.270 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.905 9.090 6.500 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.201 8.293 8.032 1.00 0.00 H new ATOM 0 HE ARG A 52 0.041 10.168 8.142 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.462 9.789 8.341 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.680 11.246 9.316 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.246 12.039 9.393 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.867 12.515 9.908 1.00 0.00 H new ATOM 789 N THR A 53 -1.022 3.252 7.534 1.00 0.00 N ATOM 790 CA THR A 53 -1.592 1.954 7.196 1.00 0.00 C ATOM 791 C THR A 53 -3.114 1.985 7.272 1.00 0.00 C ATOM 792 O THR A 53 -3.687 2.414 8.272 1.00 0.00 O ATOM 793 CB THR A 53 -1.066 0.849 8.132 1.00 0.00 C ATOM 794 OG1 THR A 53 0.349 0.985 8.303 1.00 0.00 O ATOM 795 CG2 THR A 53 -1.384 -0.530 7.573 1.00 0.00 C ATOM 0 H THR A 53 -1.190 3.549 8.495 1.00 0.00 H new ATOM 0 HA THR A 53 -1.286 1.731 6.174 1.00 0.00 H new ATOM 0 HB THR A 53 -1.560 0.955 9.098 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.676 0.280 8.901 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.003 -1.294 8.251 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.463 -0.641 7.471 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.914 -0.644 6.596 1.00 0.00 H new ATOM 803 N GLY A 54 -3.765 1.526 6.206 1.00 0.00 N ATOM 804 CA GLY A 54 -5.215 1.510 6.173 1.00 0.00 C ATOM 805 C GLY A 54 -5.761 0.607 5.085 1.00 0.00 C ATOM 806 O GLY A 54 -5.010 -0.139 4.455 1.00 0.00 O ATOM 0 H GLY A 54 -3.313 1.165 5.366 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.594 1.178 7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.583 2.524 6.018 1.00 0.00 H new ATOM 810 N ILE A 55 -7.069 0.672 4.864 1.00 0.00 N ATOM 811 CA ILE A 55 -7.713 -0.147 3.845 1.00 0.00 C ATOM 812 C ILE A 55 -8.061 0.682 2.613 1.00 0.00 C ATOM 813 O ILE A 55 -8.807 1.658 2.697 1.00 0.00 O ATOM 814 CB ILE A 55 -8.996 -0.809 4.382 1.00 0.00 C ATOM 815 CG1 ILE A 55 -9.868 0.224 5.099 1.00 0.00 C ATOM 816 CG2 ILE A 55 -8.647 -1.956 5.319 1.00 0.00 C ATOM 817 CD1 ILE A 55 -11.240 -0.295 5.467 1.00 0.00 C ATOM 0 H ILE A 55 -7.704 1.284 5.377 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.001 -0.924 3.569 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.560 -1.211 3.540 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.358 0.553 6.004 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.979 1.100 4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.564 -2.414 5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.062 -2.701 4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.065 -1.576 6.159 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.803 0.490 5.972 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.769 -0.597 4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.138 -1.153 6.132 1.00 0.00 H new ATOM 829 N PHE A 56 -7.516 0.285 1.467 1.00 0.00 N ATOM 830 CA PHE A 56 -7.768 0.991 0.216 1.00 0.00 C ATOM 831 C PHE A 56 -8.303 0.036 -0.848 1.00 0.00 C ATOM 832 O PHE A 56 -8.091 -1.175 -0.794 1.00 0.00 O ATOM 833 CB PHE A 56 -6.488 1.663 -0.283 1.00 0.00 C ATOM 834 CG PHE A 56 -5.270 0.790 -0.172 1.00 0.00 C ATOM 835 CD1 PHE A 56 -5.062 -0.249 -1.065 1.00 0.00 C ATOM 836 CD2 PHE A 56 -4.334 1.008 0.826 1.00 0.00 C ATOM 837 CE1 PHE A 56 -3.943 -1.053 -0.966 1.00 0.00 C ATOM 838 CE2 PHE A 56 -3.213 0.207 0.930 1.00 0.00 C ATOM 839 CZ PHE A 56 -3.018 -0.826 0.034 1.00 0.00 C ATOM 0 H PHE A 56 -6.897 -0.521 1.379 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.521 1.756 0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.623 1.955 -1.325 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.322 2.578 0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.783 -0.432 -1.848 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.482 1.813 1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.792 -1.858 -1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.490 0.388 1.711 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.144 -1.455 0.115 1.00 0.00 H new ATOM 849 N PRO A 57 -9.014 0.594 -1.839 1.00 0.00 N ATOM 850 CA PRO A 57 -9.594 -0.188 -2.935 1.00 0.00 C ATOM 851 C PRO A 57 -8.531 -0.742 -3.877 1.00 0.00 C ATOM 852 O PRO A 57 -7.684 -0.002 -4.377 1.00 0.00 O ATOM 853 CB PRO A 57 -10.480 0.825 -3.664 1.00 0.00 C ATOM 854 CG PRO A 57 -9.873 2.150 -3.354 1.00 0.00 C ATOM 855 CD PRO A 57 -9.306 2.032 -1.967 1.00 0.00 C ATOM 0 HA PRO A 57 -10.134 -1.062 -2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.495 0.638 -4.738 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.512 0.771 -3.317 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -9.094 2.400 -4.074 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -10.620 2.943 -3.404 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -8.407 2.637 -1.848 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.018 2.366 -1.212 1.00 0.00 H new ATOM 863 N SER A 58 -8.582 -2.049 -4.116 1.00 0.00 N ATOM 864 CA SER A 58 -7.621 -2.703 -4.996 1.00 0.00 C ATOM 865 C SER A 58 -7.641 -2.074 -6.386 1.00 0.00 C ATOM 866 O SER A 58 -6.617 -2.010 -7.066 1.00 0.00 O ATOM 867 CB SER A 58 -7.925 -4.199 -5.096 1.00 0.00 C ATOM 868 OG SER A 58 -9.192 -4.423 -5.689 1.00 0.00 O ATOM 0 H SER A 58 -9.279 -2.675 -3.712 1.00 0.00 H new ATOM 0 HA SER A 58 -6.626 -2.569 -4.570 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.152 -4.692 -5.685 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.901 -4.645 -4.102 1.00 0.00 H new ATOM 0 HG SER A 58 -9.362 -5.387 -5.743 1.00 0.00 H new ATOM 874 N ASP A 59 -8.815 -1.610 -6.801 1.00 0.00 N ATOM 875 CA ASP A 59 -8.971 -0.985 -8.109 1.00 0.00 C ATOM 876 C ASP A 59 -8.097 0.261 -8.223 1.00 0.00 C ATOM 877 O ASP A 59 -7.787 0.715 -9.325 1.00 0.00 O ATOM 878 CB ASP A 59 -10.436 -0.619 -8.352 1.00 0.00 C ATOM 879 CG ASP A 59 -11.350 -1.827 -8.304 1.00 0.00 C ATOM 880 OD1 ASP A 59 -11.056 -2.822 -9.000 1.00 0.00 O ATOM 881 OD2 ASP A 59 -12.358 -1.779 -7.569 1.00 0.00 O ATOM 0 H ASP A 59 -9.672 -1.655 -6.250 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.653 -1.701 -8.867 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.756 0.105 -7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.530 -0.134 -9.324 1.00 0.00 H new ATOM 886 N TYR A 60 -7.703 0.808 -7.078 1.00 0.00 N ATOM 887 CA TYR A 60 -6.868 2.003 -7.050 1.00 0.00 C ATOM 888 C TYR A 60 -5.389 1.635 -7.108 1.00 0.00 C ATOM 889 O TYR A 60 -4.560 2.417 -7.576 1.00 0.00 O ATOM 890 CB TYR A 60 -7.153 2.819 -5.788 1.00 0.00 C ATOM 891 CG TYR A 60 -8.363 3.717 -5.908 1.00 0.00 C ATOM 892 CD1 TYR A 60 -9.612 3.195 -6.219 1.00 0.00 C ATOM 893 CD2 TYR A 60 -8.258 5.088 -5.709 1.00 0.00 C ATOM 894 CE1 TYR A 60 -10.721 4.012 -6.330 1.00 0.00 C ATOM 895 CE2 TYR A 60 -9.361 5.913 -5.817 1.00 0.00 C ATOM 896 CZ TYR A 60 -10.590 5.370 -6.128 1.00 0.00 C ATOM 897 OH TYR A 60 -11.692 6.187 -6.237 1.00 0.00 O ATOM 0 H TYR A 60 -7.948 0.443 -6.158 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.109 2.605 -7.926 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.299 2.137 -4.950 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.280 3.429 -5.555 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -9.718 2.132 -6.377 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.297 5.517 -5.466 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.685 3.590 -6.574 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.261 6.977 -5.659 1.00 0.00 H new ATOM 0 HH TYR A 60 -11.429 7.115 -6.064 1.00 0.00 H new ATOM 907 N VAL A 61 -5.064 0.438 -6.630 1.00 0.00 N ATOM 908 CA VAL A 61 -3.685 -0.036 -6.629 1.00 0.00 C ATOM 909 C VAL A 61 -3.523 -1.258 -7.527 1.00 0.00 C ATOM 910 O VAL A 61 -4.252 -2.241 -7.391 1.00 0.00 O ATOM 911 CB VAL A 61 -3.216 -0.393 -5.206 1.00 0.00 C ATOM 912 CG1 VAL A 61 -3.193 0.847 -4.325 1.00 0.00 C ATOM 913 CG2 VAL A 61 -4.108 -1.468 -4.604 1.00 0.00 C ATOM 0 H VAL A 61 -5.737 -0.221 -6.239 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.070 0.778 -7.013 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.201 -0.787 -5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.859 0.576 -3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.509 1.582 -4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.195 1.273 -4.271 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.761 -1.707 -3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.135 -1.105 -4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.068 -2.363 -5.224 1.00 0.00 H new ATOM 923 N ILE A 62 -2.564 -1.189 -8.443 1.00 0.00 N ATOM 924 CA ILE A 62 -2.305 -2.291 -9.362 1.00 0.00 C ATOM 925 C ILE A 62 -1.038 -3.045 -8.974 1.00 0.00 C ATOM 926 O ILE A 62 -0.011 -2.453 -8.639 1.00 0.00 O ATOM 927 CB ILE A 62 -2.169 -1.793 -10.813 1.00 0.00 C ATOM 928 CG1 ILE A 62 -2.541 -2.907 -11.794 1.00 0.00 C ATOM 929 CG2 ILE A 62 -0.753 -1.302 -11.073 1.00 0.00 C ATOM 930 CD1 ILE A 62 -2.704 -2.427 -13.219 1.00 0.00 C ATOM 0 H ILE A 62 -1.953 -0.382 -8.569 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.160 -2.964 -9.296 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.855 -0.959 -10.962 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.771 -3.678 -11.765 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.471 -3.372 -11.467 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.672 -0.953 -12.103 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.522 -0.482 -10.393 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.049 -2.118 -10.910 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.967 -3.269 -13.859 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.494 -1.677 -13.262 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.768 -1.988 -13.564 1.00 0.00 H new ATOM 942 N PRO A 63 -1.108 -4.383 -9.020 1.00 0.00 N ATOM 943 CA PRO A 63 0.026 -5.248 -8.678 1.00 0.00 C ATOM 944 C PRO A 63 1.144 -5.173 -9.713 1.00 0.00 C ATOM 945 O PRO A 63 1.040 -5.749 -10.796 1.00 0.00 O ATOM 946 CB PRO A 63 -0.590 -6.649 -8.657 1.00 0.00 C ATOM 947 CG PRO A 63 -1.772 -6.557 -9.559 1.00 0.00 C ATOM 948 CD PRO A 63 -2.299 -5.156 -9.409 1.00 0.00 C ATOM 0 HA PRO A 63 0.491 -4.958 -7.736 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.119 -7.398 -9.009 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.884 -6.937 -7.648 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.491 -6.760 -10.592 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.530 -7.291 -9.285 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.731 -4.787 -10.339 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.080 -5.100 -8.651 1.00 0.00 H new ATOM 956 N VAL A 64 2.212 -4.460 -9.372 1.00 0.00 N ATOM 957 CA VAL A 64 3.351 -4.312 -10.271 1.00 0.00 C ATOM 958 C VAL A 64 4.138 -5.612 -10.380 1.00 0.00 C ATOM 959 O VAL A 64 3.940 -6.538 -9.594 1.00 0.00 O ATOM 960 CB VAL A 64 4.296 -3.190 -9.799 1.00 0.00 C ATOM 961 CG1 VAL A 64 3.563 -1.858 -9.756 1.00 0.00 C ATOM 962 CG2 VAL A 64 4.886 -3.528 -8.439 1.00 0.00 C ATOM 0 H VAL A 64 2.313 -3.976 -8.480 1.00 0.00 H new ATOM 0 HA VAL A 64 2.950 -4.051 -11.250 1.00 0.00 H new ATOM 0 HB VAL A 64 5.115 -3.104 -10.513 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.246 -1.078 -9.421 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.194 -1.614 -10.752 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.723 -1.927 -9.065 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.551 -2.725 -8.121 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.082 -3.643 -7.712 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.449 -4.459 -8.508 1.00 0.00 H new ATOM 972 N SER A 65 5.034 -5.675 -11.360 1.00 0.00 N ATOM 973 CA SER A 65 5.850 -6.864 -11.575 1.00 0.00 C ATOM 974 C SER A 65 7.022 -6.903 -10.598 1.00 0.00 C ATOM 975 O SER A 65 7.469 -5.867 -10.106 1.00 0.00 O ATOM 976 CB SER A 65 6.370 -6.899 -13.013 1.00 0.00 C ATOM 977 OG SER A 65 7.422 -5.968 -13.199 1.00 0.00 O ATOM 0 H SER A 65 5.213 -4.916 -12.018 1.00 0.00 H new ATOM 0 HA SER A 65 5.224 -7.739 -11.401 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.722 -7.903 -13.251 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.556 -6.675 -13.703 1.00 0.00 H new ATOM 0 HG SER A 65 7.737 -6.012 -14.126 1.00 0.00 H new ATOM 983 N GLY A 66 7.514 -8.106 -10.322 1.00 0.00 N ATOM 984 CA GLY A 66 8.629 -8.259 -9.405 1.00 0.00 C ATOM 985 C GLY A 66 9.970 -8.224 -10.112 1.00 0.00 C ATOM 986 O GLY A 66 10.109 -8.680 -11.247 1.00 0.00 O ATOM 0 H GLY A 66 7.161 -8.978 -10.717 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.594 -7.465 -8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.528 -9.203 -8.870 1.00 0.00 H new ATOM 990 N PRO A 67 10.986 -7.670 -9.434 1.00 0.00 N ATOM 991 CA PRO A 67 12.340 -7.563 -9.985 1.00 0.00 C ATOM 992 C PRO A 67 13.028 -8.919 -10.101 1.00 0.00 C ATOM 993 O PRO A 67 14.113 -9.028 -10.672 1.00 0.00 O ATOM 994 CB PRO A 67 13.068 -6.679 -8.969 1.00 0.00 C ATOM 995 CG PRO A 67 12.328 -6.882 -7.692 1.00 0.00 C ATOM 996 CD PRO A 67 10.892 -7.106 -8.077 1.00 0.00 C ATOM 0 HA PRO A 67 12.337 -7.159 -10.997 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.114 -6.968 -8.871 1.00 0.00 H new ATOM 0 HB3 PRO A 67 13.054 -5.632 -9.273 1.00 0.00 H new ATOM 0 HG2 PRO A 67 12.723 -7.737 -7.144 1.00 0.00 H new ATOM 0 HG3 PRO A 67 12.427 -6.013 -7.041 1.00 0.00 H new ATOM 0 HD2 PRO A 67 10.394 -7.791 -7.391 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.324 -6.176 -8.067 1.00 0.00 H new ATOM 1004 N SER A 68 12.389 -9.950 -9.557 1.00 0.00 N ATOM 1005 CA SER A 68 12.941 -11.299 -9.597 1.00 0.00 C ATOM 1006 C SER A 68 12.820 -11.894 -10.997 1.00 0.00 C ATOM 1007 O SER A 68 13.820 -12.241 -11.625 1.00 0.00 O ATOM 1008 CB SER A 68 12.226 -12.196 -8.585 1.00 0.00 C ATOM 1009 OG SER A 68 12.289 -11.645 -7.281 1.00 0.00 O ATOM 0 H SER A 68 11.489 -9.877 -9.083 1.00 0.00 H new ATOM 0 HA SER A 68 13.998 -11.241 -9.336 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.184 -12.323 -8.879 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.681 -13.186 -8.587 1.00 0.00 H new ATOM 0 HG SER A 68 11.823 -12.236 -6.653 1.00 0.00 H new ATOM 1015 N SER A 69 11.586 -12.009 -11.479 1.00 0.00 N ATOM 1016 CA SER A 69 11.332 -12.566 -12.802 1.00 0.00 C ATOM 1017 C SER A 69 11.611 -11.533 -13.890 1.00 0.00 C ATOM 1018 O SER A 69 11.024 -10.452 -13.900 1.00 0.00 O ATOM 1019 CB SER A 69 9.885 -13.053 -12.905 1.00 0.00 C ATOM 1020 OG SER A 69 9.704 -13.880 -14.041 1.00 0.00 O ATOM 0 H SER A 69 10.747 -11.724 -10.973 1.00 0.00 H new ATOM 0 HA SER A 69 12.004 -13.412 -12.947 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.619 -13.605 -12.004 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.213 -12.197 -12.964 1.00 0.00 H new ATOM 0 HG SER A 69 8.772 -14.179 -14.083 1.00 0.00 H new ATOM 1026 N GLY A 70 12.514 -11.874 -14.804 1.00 0.00 N ATOM 1027 CA GLY A 70 12.857 -10.967 -15.883 1.00 0.00 C ATOM 1028 C GLY A 70 14.098 -10.150 -15.581 1.00 0.00 C ATOM 1029 O GLY A 70 14.084 -8.924 -15.690 1.00 0.00 O ATOM 0 H GLY A 70 13.014 -12.763 -14.816 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.016 -11.539 -16.797 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.019 -10.295 -16.069 1.00 0.00 H new TER 1033 GLY A 70