USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 503 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 19 THR OG1 : rot 180:sc= -0.0363 USER MOD Set 1.2: A 61 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 52 GLN : amide:sc= 0.494 K(o=0.87,f=-0.065) USER MOD Set 2.2: A 55 GLN : amide:sc= 0.38 K(o=0.87,f=-0.39) USER MOD Set 3.1: A 34 THR OG1 : rot -97:sc= 0.694 USER MOD Set 3.2: A 43 TYR OH : rot 180:sc= 0.517 USER MOD Single : A 1 MET CE :methyl -169:sc=-0.00234 (180deg=-0.0323) USER MOD Single : A 2 ASN : amide:sc= -1.19! K(o=-1.2!,f=-0.14) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ -127:sc= 0.104 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 16 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -150:sc= -0.0552 (180deg=-1.12) USER MOD Single : A 23 GLN : amide:sc= -0.466 K(o=-0.47,f=-3.1) USER MOD Single : A 28 SER OG : rot -83:sc= 1.3 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0836 X(o=-0.084,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.023) USER MOD Single : A 47 ASN : amide:sc= 1.43 K(o=1.4,f=-8.5!) USER MOD Single : A 51 SER OG : rot 16:sc= 0.324 USER MOD Single : A 53 THR OG1 : rot 84:sc= 1.26 USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= 0.805 (180deg=0.804) USER MOD Single : A 62 HIS : no HE2:sc= -0.15 K(o=-0.15,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 2.122 -16.975 -6.808 1.00 0.00 N ATOM 2 CA GLY A -1 3.461 -16.802 -6.235 1.00 0.00 C ATOM 3 C GLY A -1 3.596 -15.450 -5.558 1.00 0.00 C ATOM 4 O GLY A -1 2.582 -14.827 -5.241 1.00 0.00 O ATOM 0 H1 GLY A -1 1.709 -17.865 -6.463 1.00 0.00 H new ATOM 0 H2 GLY A -1 1.517 -16.179 -6.523 1.00 0.00 H new ATOM 0 H3 GLY A -1 2.189 -17.004 -7.845 1.00 0.00 H new ATOM 0 HA2 GLY A -1 3.656 -17.595 -5.513 1.00 0.00 H new ATOM 0 HA3 GLY A -1 4.211 -16.895 -7.021 1.00 0.00 H new ATOM 8 N PRO A 0 4.828 -14.990 -5.279 1.00 0.00 N ATOM 9 CA PRO A 0 5.048 -13.706 -4.647 1.00 0.00 C ATOM 10 C PRO A 0 4.771 -12.607 -5.674 1.00 0.00 C ATOM 11 O PRO A 0 5.426 -12.550 -6.718 1.00 0.00 O ATOM 12 CB PRO A 0 6.512 -13.718 -4.196 1.00 0.00 C ATOM 13 CG PRO A 0 7.197 -14.616 -5.227 1.00 0.00 C ATOM 14 CD PRO A 0 6.104 -15.621 -5.595 1.00 0.00 C ATOM 0 HA PRO A 0 4.395 -13.521 -3.794 1.00 0.00 H new ATOM 0 HB2 PRO A 0 6.939 -12.715 -4.191 1.00 0.00 H new ATOM 0 HB3 PRO A 0 6.617 -14.114 -3.186 1.00 0.00 H new ATOM 0 HG2 PRO A 0 7.532 -14.049 -6.096 1.00 0.00 H new ATOM 0 HG3 PRO A 0 8.075 -15.110 -4.811 1.00 0.00 H new ATOM 0 HD2 PRO A 0 6.156 -15.879 -6.653 1.00 0.00 H new ATOM 0 HD3 PRO A 0 6.226 -16.548 -5.034 1.00 0.00 H new ATOM 22 N MET A 1 3.748 -11.787 -5.430 1.00 0.00 N ATOM 23 CA MET A 1 3.418 -10.677 -6.319 1.00 0.00 C ATOM 24 C MET A 1 4.596 -9.710 -6.275 1.00 0.00 C ATOM 25 O MET A 1 5.263 -9.591 -5.239 1.00 0.00 O ATOM 26 CB MET A 1 2.110 -10.018 -5.878 1.00 0.00 C ATOM 27 CG MET A 1 2.194 -9.318 -4.515 1.00 0.00 C ATOM 28 SD MET A 1 0.598 -8.863 -3.787 1.00 0.00 S ATOM 29 CE MET A 1 -0.076 -7.766 -5.052 1.00 0.00 C ATOM 0 H MET A 1 3.133 -11.873 -4.621 1.00 0.00 H new ATOM 0 HA MET A 1 3.259 -11.014 -7.343 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.810 -9.290 -6.631 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.328 -10.776 -5.838 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.720 -9.972 -3.820 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.797 -8.416 -4.623 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.957 -7.258 -4.661 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.675 -7.027 -5.330 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.353 -8.350 -5.930 1.00 0.00 H new ATOM 39 N ASN A 2 4.901 -9.051 -7.390 1.00 0.00 N ATOM 40 CA ASN A 2 6.012 -8.116 -7.373 1.00 0.00 C ATOM 41 C ASN A 2 5.576 -6.857 -6.654 1.00 0.00 C ATOM 42 O ASN A 2 4.388 -6.563 -6.505 1.00 0.00 O ATOM 43 CB ASN A 2 6.569 -7.814 -8.771 1.00 0.00 C ATOM 44 CG ASN A 2 7.524 -8.888 -9.278 1.00 0.00 C ATOM 45 OD1 ASN A 2 7.555 -9.188 -10.469 1.00 0.00 O ATOM 46 ND2 ASN A 2 8.371 -9.455 -8.431 1.00 0.00 N ATOM 0 H ASN A 2 4.414 -9.143 -8.282 1.00 0.00 H new ATOM 0 HA ASN A 2 6.840 -8.578 -6.836 1.00 0.00 H new ATOM 0 HB2 ASN A 2 5.740 -7.713 -9.472 1.00 0.00 H new ATOM 0 HB3 ASN A 2 7.088 -6.855 -8.750 1.00 0.00 H new ATOM 0 HD21 ASN A 2 9.048 -10.140 -8.768 1.00 0.00 H new ATOM 0 HD22 ASN A 2 8.346 -9.207 -7.442 1.00 0.00 H new ATOM 53 N ILE A 3 6.567 -6.082 -6.239 1.00 0.00 N ATOM 54 CA ILE A 3 6.369 -4.833 -5.528 1.00 0.00 C ATOM 55 C ILE A 3 5.526 -3.879 -6.385 1.00 0.00 C ATOM 56 O ILE A 3 4.695 -3.136 -5.853 1.00 0.00 O ATOM 57 CB ILE A 3 7.755 -4.344 -5.064 1.00 0.00 C ATOM 58 CG1 ILE A 3 8.284 -5.378 -4.033 1.00 0.00 C ATOM 59 CG2 ILE A 3 7.717 -2.945 -4.456 1.00 0.00 C ATOM 60 CD1 ILE A 3 9.530 -4.957 -3.265 1.00 0.00 C ATOM 0 H ILE A 3 7.549 -6.310 -6.391 1.00 0.00 H new ATOM 0 HA ILE A 3 5.777 -4.928 -4.618 1.00 0.00 H new ATOM 0 HB ILE A 3 8.417 -4.269 -5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.490 -5.589 -3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 3 8.498 -6.310 -4.556 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.721 -2.655 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.346 -2.236 -5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.057 -2.943 -3.589 1.00 0.00 H new ATOM 0 HD11 ILE A 3 9.816 -5.749 -2.573 1.00 0.00 H new ATOM 0 HD12 ILE A 3 10.345 -4.776 -3.965 1.00 0.00 H new ATOM 0 HD13 ILE A 3 9.322 -4.044 -2.707 1.00 0.00 H new ATOM 72 N SER A 4 5.677 -3.955 -7.708 1.00 0.00 N ATOM 73 CA SER A 4 4.937 -3.156 -8.660 1.00 0.00 C ATOM 74 C SER A 4 3.434 -3.475 -8.556 1.00 0.00 C ATOM 75 O SER A 4 2.632 -2.553 -8.714 1.00 0.00 O ATOM 76 CB SER A 4 5.507 -3.443 -10.053 1.00 0.00 C ATOM 77 OG SER A 4 6.916 -3.270 -10.036 1.00 0.00 O ATOM 0 H SER A 4 6.338 -4.594 -8.149 1.00 0.00 H new ATOM 0 HA SER A 4 5.041 -2.091 -8.454 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.259 -4.460 -10.356 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.057 -2.773 -10.786 1.00 0.00 H new ATOM 0 HG SER A 4 7.279 -3.456 -10.927 1.00 0.00 H new ATOM 83 N ASP A 5 3.037 -4.731 -8.272 1.00 0.00 N ATOM 84 CA ASP A 5 1.630 -5.110 -8.145 1.00 0.00 C ATOM 85 C ASP A 5 1.058 -4.534 -6.856 1.00 0.00 C ATOM 86 O ASP A 5 -0.052 -4.009 -6.856 1.00 0.00 O ATOM 87 CB ASP A 5 1.439 -6.635 -8.089 1.00 0.00 C ATOM 88 CG ASP A 5 1.859 -7.361 -9.357 1.00 0.00 C ATOM 89 OD1 ASP A 5 1.234 -7.161 -10.426 1.00 0.00 O ATOM 90 OD2 ASP A 5 2.806 -8.171 -9.303 1.00 0.00 O ATOM 0 H ASP A 5 3.686 -5.504 -8.126 1.00 0.00 H new ATOM 0 HA ASP A 5 1.119 -4.718 -9.025 1.00 0.00 H new ATOM 0 HB2 ASP A 5 2.011 -7.031 -7.250 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.389 -6.852 -7.890 1.00 0.00 H new ATOM 95 N ILE A 6 1.823 -4.608 -5.761 1.00 0.00 N ATOM 96 CA ILE A 6 1.422 -4.120 -4.443 1.00 0.00 C ATOM 97 C ILE A 6 0.950 -2.671 -4.575 1.00 0.00 C ATOM 98 O ILE A 6 -0.183 -2.360 -4.198 1.00 0.00 O ATOM 99 CB ILE A 6 2.557 -4.327 -3.408 1.00 0.00 C ATOM 100 CG1 ILE A 6 2.911 -5.828 -3.291 1.00 0.00 C ATOM 101 CG2 ILE A 6 2.159 -3.779 -2.025 1.00 0.00 C ATOM 102 CD1 ILE A 6 4.153 -6.125 -2.449 1.00 0.00 C ATOM 0 H ILE A 6 2.757 -5.018 -5.770 1.00 0.00 H new ATOM 0 HA ILE A 6 0.582 -4.698 -4.057 1.00 0.00 H new ATOM 0 HB ILE A 6 3.430 -3.776 -3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.061 -6.356 -2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.062 -6.231 -4.292 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.976 -3.939 -1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.951 -2.712 -2.103 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.268 -4.298 -1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.325 -7.201 -2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.018 -5.630 -2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.002 -5.756 -1.435 1.00 0.00 H new ATOM 114 N ARG A 7 1.792 -1.774 -5.104 1.00 0.00 N ATOM 115 CA ARG A 7 1.376 -0.378 -5.261 1.00 0.00 C ATOM 116 C ARG A 7 0.275 -0.225 -6.303 1.00 0.00 C ATOM 117 O ARG A 7 -0.535 0.689 -6.168 1.00 0.00 O ATOM 118 CB ARG A 7 2.541 0.564 -5.585 1.00 0.00 C ATOM 119 CG ARG A 7 3.470 0.108 -6.713 1.00 0.00 C ATOM 120 CD ARG A 7 4.473 1.229 -7.009 1.00 0.00 C ATOM 121 NE ARG A 7 5.657 0.724 -7.709 1.00 0.00 N ATOM 122 CZ ARG A 7 6.774 0.258 -7.135 1.00 0.00 C ATOM 123 NH1 ARG A 7 6.930 0.275 -5.812 1.00 0.00 N ATOM 124 NH2 ARG A 7 7.717 -0.256 -7.905 1.00 0.00 N ATOM 0 H ARG A 7 2.739 -1.982 -5.422 1.00 0.00 H new ATOM 0 HA ARG A 7 0.980 -0.085 -4.289 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.133 1.540 -5.848 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.136 0.700 -4.682 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.995 -0.802 -6.425 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.892 -0.127 -7.607 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.992 1.997 -7.614 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.776 1.702 -6.075 1.00 0.00 H new ATOM 0 HE ARG A 7 5.628 0.728 -8.729 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.191 0.648 -5.216 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.789 -0.085 -5.395 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.586 -0.292 -8.916 1.00 0.00 H new ATOM 0 HH22 ARG A 7 8.575 -0.616 -7.488 1.00 0.00 H new ATOM 138 N ALA A 8 0.242 -1.062 -7.341 1.00 0.00 N ATOM 139 CA ALA A 8 -0.785 -0.977 -8.372 1.00 0.00 C ATOM 140 C ALA A 8 -2.182 -1.175 -7.786 1.00 0.00 C ATOM 141 O ALA A 8 -3.063 -0.368 -8.069 1.00 0.00 O ATOM 142 CB ALA A 8 -0.521 -1.993 -9.483 1.00 0.00 C ATOM 0 H ALA A 8 0.920 -1.810 -7.487 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.741 0.025 -8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.299 -1.913 -10.242 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.450 -1.793 -9.936 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.525 -2.999 -9.064 1.00 0.00 H new ATOM 148 N GLY A 9 -2.389 -2.190 -6.941 1.00 0.00 N ATOM 149 CA GLY A 9 -3.702 -2.436 -6.347 1.00 0.00 C ATOM 150 C GLY A 9 -4.165 -1.227 -5.539 1.00 0.00 C ATOM 151 O GLY A 9 -5.332 -0.853 -5.575 1.00 0.00 O ATOM 0 H GLY A 9 -1.666 -2.851 -6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.426 -2.654 -7.132 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.656 -3.314 -5.703 1.00 0.00 H new ATOM 155 N LEU A 10 -3.242 -0.573 -4.827 1.00 0.00 N ATOM 156 CA LEU A 10 -3.561 0.606 -4.026 1.00 0.00 C ATOM 157 C LEU A 10 -4.071 1.737 -4.910 1.00 0.00 C ATOM 158 O LEU A 10 -4.900 2.515 -4.435 1.00 0.00 O ATOM 159 CB LEU A 10 -2.382 1.057 -3.171 1.00 0.00 C ATOM 160 CG LEU A 10 -1.858 -0.043 -2.233 1.00 0.00 C ATOM 161 CD1 LEU A 10 -0.565 0.389 -1.547 1.00 0.00 C ATOM 162 CD2 LEU A 10 -2.874 -0.440 -1.156 1.00 0.00 C ATOM 0 H LEU A 10 -2.260 -0.846 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.358 0.326 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.573 1.385 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.682 1.920 -2.577 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.675 -0.910 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.218 -0.408 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.195 0.595 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.748 1.289 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.449 -1.220 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.116 0.430 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.781 -0.813 -1.631 1.00 0.00 H new ATOM 174 N ARG A 11 -3.563 1.867 -6.148 1.00 0.00 N ATOM 175 CA ARG A 11 -4.049 2.892 -7.068 1.00 0.00 C ATOM 176 C ARG A 11 -5.538 2.649 -7.231 1.00 0.00 C ATOM 177 O ARG A 11 -6.310 3.574 -7.018 1.00 0.00 O ATOM 178 CB ARG A 11 -3.457 2.809 -8.493 1.00 0.00 C ATOM 179 CG ARG A 11 -1.941 2.813 -8.623 1.00 0.00 C ATOM 180 CD ARG A 11 -1.336 4.056 -7.992 1.00 0.00 C ATOM 181 NE ARG A 11 0.066 4.231 -8.381 1.00 0.00 N ATOM 182 CZ ARG A 11 0.535 4.761 -9.510 1.00 0.00 C ATOM 183 NH1 ARG A 11 -0.280 5.275 -10.419 1.00 0.00 N ATOM 184 NH2 ARG A 11 1.845 4.744 -9.722 1.00 0.00 N ATOM 0 H ARG A 11 -2.822 1.277 -6.526 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.769 3.857 -6.647 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.833 1.899 -8.961 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.847 3.648 -9.069 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.531 1.923 -8.145 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.664 2.766 -9.676 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.910 4.933 -8.292 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.407 3.985 -6.907 1.00 0.00 H new ATOM 0 HE ARG A 11 0.764 3.910 -7.710 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.288 5.270 -10.261 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.100 5.676 -11.276 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.469 4.331 -9.028 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.228 5.144 -10.579 1.00 0.00 H new ATOM 198 N THR A 12 -5.921 1.409 -7.538 1.00 0.00 N ATOM 199 CA THR A 12 -7.292 0.991 -7.749 1.00 0.00 C ATOM 200 C THR A 12 -8.144 1.374 -6.542 1.00 0.00 C ATOM 201 O THR A 12 -9.196 1.988 -6.724 1.00 0.00 O ATOM 202 CB THR A 12 -7.325 -0.520 -8.044 1.00 0.00 C ATOM 203 OG1 THR A 12 -6.283 -0.864 -8.948 1.00 0.00 O ATOM 204 CG2 THR A 12 -8.672 -0.923 -8.638 1.00 0.00 C ATOM 0 H THR A 12 -5.254 0.646 -7.649 1.00 0.00 H new ATOM 0 HA THR A 12 -7.717 1.503 -8.612 1.00 0.00 H new ATOM 0 HB THR A 12 -7.181 -1.055 -7.105 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.311 -1.827 -9.128 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.675 -1.994 -8.839 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.467 -0.684 -7.932 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.837 -0.379 -9.568 1.00 0.00 H new ATOM 212 N LEU A 13 -7.665 1.074 -5.331 1.00 0.00 N ATOM 213 CA LEU A 13 -8.365 1.383 -4.093 1.00 0.00 C ATOM 214 C LEU A 13 -8.681 2.876 -3.989 1.00 0.00 C ATOM 215 O LEU A 13 -9.816 3.237 -3.682 1.00 0.00 O ATOM 216 CB LEU A 13 -7.536 0.945 -2.865 1.00 0.00 C ATOM 217 CG LEU A 13 -7.811 -0.455 -2.287 1.00 0.00 C ATOM 218 CD1 LEU A 13 -9.241 -0.622 -1.791 1.00 0.00 C ATOM 219 CD2 LEU A 13 -7.512 -1.596 -3.246 1.00 0.00 C ATOM 0 H LEU A 13 -6.771 0.605 -5.187 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.303 0.828 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.481 0.997 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.698 1.675 -2.072 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.117 -0.516 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.374 -1.629 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.441 0.106 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.934 -0.463 -2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.733 -2.547 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.129 -1.492 -4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.459 -1.568 -3.528 1.00 0.00 H new ATOM 231 N VAL A 14 -7.704 3.758 -4.220 1.00 0.00 N ATOM 232 CA VAL A 14 -7.982 5.195 -4.097 1.00 0.00 C ATOM 233 C VAL A 14 -8.736 5.770 -5.299 1.00 0.00 C ATOM 234 O VAL A 14 -9.549 6.671 -5.098 1.00 0.00 O ATOM 235 CB VAL A 14 -6.732 6.005 -3.709 1.00 0.00 C ATOM 236 CG1 VAL A 14 -6.177 5.486 -2.375 1.00 0.00 C ATOM 237 CG2 VAL A 14 -5.628 5.997 -4.769 1.00 0.00 C ATOM 0 H VAL A 14 -6.748 3.518 -4.483 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.673 5.299 -3.260 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.055 7.042 -3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.292 6.060 -2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.935 5.595 -1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.910 4.434 -2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.783 6.590 -4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.303 4.972 -4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.011 6.423 -5.696 1.00 0.00 H new ATOM 247 N GLU A 15 -8.512 5.247 -6.510 1.00 0.00 N ATOM 248 CA GLU A 15 -9.161 5.680 -7.751 1.00 0.00 C ATOM 249 C GLU A 15 -10.665 5.399 -7.667 1.00 0.00 C ATOM 250 O GLU A 15 -11.469 6.152 -8.212 1.00 0.00 O ATOM 251 CB GLU A 15 -8.567 4.916 -8.955 1.00 0.00 C ATOM 252 CG GLU A 15 -7.098 5.249 -9.286 1.00 0.00 C ATOM 253 CD GLU A 15 -6.842 6.106 -10.530 1.00 0.00 C ATOM 254 OE1 GLU A 15 -7.435 7.200 -10.686 1.00 0.00 O ATOM 255 OE2 GLU A 15 -5.966 5.726 -11.337 1.00 0.00 O ATOM 0 H GLU A 15 -7.851 4.484 -6.657 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.992 6.748 -7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.645 3.846 -8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.177 5.125 -9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.665 5.761 -8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.556 4.311 -9.404 1.00 0.00 H new ATOM 262 N ASN A 16 -11.049 4.317 -6.984 1.00 0.00 N ATOM 263 CA ASN A 16 -12.437 3.909 -6.799 1.00 0.00 C ATOM 264 C ASN A 16 -12.956 4.384 -5.435 1.00 0.00 C ATOM 265 O ASN A 16 -14.013 3.939 -4.993 1.00 0.00 O ATOM 266 CB ASN A 16 -12.541 2.384 -6.964 1.00 0.00 C ATOM 267 CG ASN A 16 -12.334 1.959 -8.407 1.00 0.00 C ATOM 268 OD1 ASN A 16 -13.273 1.903 -9.194 1.00 0.00 O ATOM 269 ND2 ASN A 16 -11.114 1.639 -8.801 1.00 0.00 N ATOM 0 H ASN A 16 -10.384 3.688 -6.535 1.00 0.00 H new ATOM 0 HA ASN A 16 -13.068 4.375 -7.556 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.798 1.898 -6.332 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -13.520 2.047 -6.622 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.950 1.344 -9.763 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.336 1.687 -8.143 1.00 0.00 H new ATOM 276 N GLU A 17 -12.202 5.258 -4.754 1.00 0.00 N ATOM 277 CA GLU A 17 -12.484 5.838 -3.444 1.00 0.00 C ATOM 278 C GLU A 17 -12.920 4.803 -2.396 1.00 0.00 C ATOM 279 O GLU A 17 -13.651 5.109 -1.451 1.00 0.00 O ATOM 280 CB GLU A 17 -13.435 7.034 -3.561 1.00 0.00 C ATOM 281 CG GLU A 17 -12.751 8.298 -4.105 1.00 0.00 C ATOM 282 CD GLU A 17 -13.559 9.570 -3.821 1.00 0.00 C ATOM 283 OE1 GLU A 17 -14.353 9.598 -2.847 1.00 0.00 O ATOM 284 OE2 GLU A 17 -13.349 10.582 -4.523 1.00 0.00 O ATOM 0 H GLU A 17 -11.319 5.599 -5.135 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.540 6.223 -3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.265 6.768 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.859 7.251 -2.580 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.761 8.393 -3.658 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.607 8.195 -5.181 1.00 0.00 H new ATOM 291 N GLU A 18 -12.438 3.574 -2.537 1.00 0.00 N ATOM 292 CA GLU A 18 -12.704 2.445 -1.656 1.00 0.00 C ATOM 293 C GLU A 18 -12.223 2.817 -0.251 1.00 0.00 C ATOM 294 O GLU A 18 -12.842 2.465 0.756 1.00 0.00 O ATOM 295 CB GLU A 18 -11.928 1.238 -2.191 1.00 0.00 C ATOM 296 CG GLU A 18 -12.283 0.854 -3.638 1.00 0.00 C ATOM 297 CD GLU A 18 -13.535 -0.017 -3.756 1.00 0.00 C ATOM 298 OE1 GLU A 18 -13.658 -1.027 -3.027 1.00 0.00 O ATOM 299 OE2 GLU A 18 -14.385 0.293 -4.625 1.00 0.00 O ATOM 0 H GLU A 18 -11.819 3.326 -3.309 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.766 2.202 -1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.861 1.452 -2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.116 0.382 -1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.429 1.764 -4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.440 0.324 -4.081 1.00 0.00 H new ATOM 306 N THR A 19 -11.113 3.551 -0.199 1.00 0.00 N ATOM 307 CA THR A 19 -10.492 4.042 1.005 1.00 0.00 C ATOM 308 C THR A 19 -9.700 5.307 0.644 1.00 0.00 C ATOM 309 O THR A 19 -9.613 5.708 -0.527 1.00 0.00 O ATOM 310 CB THR A 19 -9.672 2.910 1.653 1.00 0.00 C ATOM 311 OG1 THR A 19 -9.217 3.280 2.934 1.00 0.00 O ATOM 312 CG2 THR A 19 -8.464 2.498 0.811 1.00 0.00 C ATOM 0 H THR A 19 -10.607 3.826 -1.041 1.00 0.00 H new ATOM 0 HA THR A 19 -11.214 4.337 1.766 1.00 0.00 H new ATOM 0 HB THR A 19 -10.350 2.060 1.725 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.701 2.543 3.323 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.924 1.697 1.317 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.803 2.148 -0.164 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.803 3.355 0.679 1.00 0.00 H new ATOM 320 N THR A 20 -9.131 5.951 1.656 1.00 0.00 N ATOM 321 CA THR A 20 -8.338 7.166 1.562 1.00 0.00 C ATOM 322 C THR A 20 -6.950 6.836 2.138 1.00 0.00 C ATOM 323 O THR A 20 -6.862 6.005 3.044 1.00 0.00 O ATOM 324 CB THR A 20 -9.071 8.282 2.338 1.00 0.00 C ATOM 325 OG1 THR A 20 -10.487 8.149 2.324 1.00 0.00 O ATOM 326 CG2 THR A 20 -8.739 9.685 1.838 1.00 0.00 C ATOM 0 H THR A 20 -9.217 5.619 2.617 1.00 0.00 H new ATOM 0 HA THR A 20 -8.210 7.522 0.540 1.00 0.00 H new ATOM 0 HB THR A 20 -8.703 8.157 3.356 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.890 8.884 2.833 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.288 10.420 2.427 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.669 9.864 1.940 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.023 9.774 0.790 1.00 0.00 H new ATOM 334 N PHE A 21 -5.877 7.529 1.726 1.00 0.00 N ATOM 335 CA PHE A 21 -4.517 7.239 2.217 1.00 0.00 C ATOM 336 C PHE A 21 -4.436 7.210 3.750 1.00 0.00 C ATOM 337 O PHE A 21 -3.739 6.360 4.305 1.00 0.00 O ATOM 338 CB PHE A 21 -3.490 8.243 1.665 1.00 0.00 C ATOM 339 CG PHE A 21 -3.259 8.196 0.165 1.00 0.00 C ATOM 340 CD1 PHE A 21 -2.276 7.346 -0.379 1.00 0.00 C ATOM 341 CD2 PHE A 21 -4.021 9.013 -0.693 1.00 0.00 C ATOM 342 CE1 PHE A 21 -2.064 7.314 -1.769 1.00 0.00 C ATOM 343 CE2 PHE A 21 -3.825 8.959 -2.084 1.00 0.00 C ATOM 344 CZ PHE A 21 -2.843 8.111 -2.624 1.00 0.00 C ATOM 0 H PHE A 21 -5.923 8.295 1.054 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.274 6.242 1.849 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.814 9.249 1.932 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.537 8.071 2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.685 6.719 0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.759 9.684 -0.280 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.298 6.673 -2.181 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.430 9.570 -2.738 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.688 8.072 -3.692 1.00 0.00 H new ATOM 354 N LYS A 22 -5.141 8.115 4.438 1.00 0.00 N ATOM 355 CA LYS A 22 -5.171 8.192 5.901 1.00 0.00 C ATOM 356 C LYS A 22 -5.587 6.857 6.522 1.00 0.00 C ATOM 357 O LYS A 22 -4.886 6.334 7.386 1.00 0.00 O ATOM 358 CB LYS A 22 -6.017 9.381 6.375 1.00 0.00 C ATOM 359 CG LYS A 22 -7.461 9.305 5.879 1.00 0.00 C ATOM 360 CD LYS A 22 -8.310 10.567 6.058 1.00 0.00 C ATOM 361 CE LYS A 22 -8.054 11.651 5.005 1.00 0.00 C ATOM 362 NZ LYS A 22 -6.878 12.487 5.297 1.00 0.00 N ATOM 0 H LYS A 22 -5.716 8.826 3.985 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.159 8.381 6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.012 9.416 7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.564 10.308 6.024 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.445 9.051 4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.957 8.483 6.396 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.364 10.290 6.029 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.117 10.984 7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.921 11.177 4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.934 12.289 4.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.025 13.440 4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.744 12.550 6.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.034 12.062 4.863 1.00 0.00 H new ATOM 376 N GLN A 23 -6.698 6.286 6.058 1.00 0.00 N ATOM 377 CA GLN A 23 -7.202 5.017 6.558 1.00 0.00 C ATOM 378 C GLN A 23 -6.201 3.907 6.260 1.00 0.00 C ATOM 379 O GLN A 23 -5.991 3.047 7.116 1.00 0.00 O ATOM 380 CB GLN A 23 -8.590 4.732 5.966 1.00 0.00 C ATOM 381 CG GLN A 23 -9.247 3.435 6.479 1.00 0.00 C ATOM 382 CD GLN A 23 -9.538 3.467 7.981 1.00 0.00 C ATOM 383 OE1 GLN A 23 -9.392 4.483 8.649 1.00 0.00 O ATOM 384 NE2 GLN A 23 -9.947 2.367 8.577 1.00 0.00 N ATOM 0 H GLN A 23 -7.273 6.696 5.322 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.319 5.065 7.641 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.247 5.572 6.192 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.504 4.677 4.881 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -10.178 3.267 5.937 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.593 2.591 6.259 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -10.074 1.511 8.037 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.137 2.370 9.579 1.00 0.00 H new ATOM 393 N ILE A 24 -5.554 3.924 5.087 1.00 0.00 N ATOM 394 CA ILE A 24 -4.567 2.905 4.749 1.00 0.00 C ATOM 395 C ILE A 24 -3.466 2.957 5.819 1.00 0.00 C ATOM 396 O ILE A 24 -3.065 1.912 6.324 1.00 0.00 O ATOM 397 CB ILE A 24 -4.010 3.071 3.313 1.00 0.00 C ATOM 398 CG1 ILE A 24 -5.125 3.063 2.242 1.00 0.00 C ATOM 399 CG2 ILE A 24 -3.023 1.925 3.024 1.00 0.00 C ATOM 400 CD1 ILE A 24 -4.627 3.366 0.822 1.00 0.00 C ATOM 0 H ILE A 24 -5.699 4.629 4.365 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.035 1.921 4.747 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.513 4.040 3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.611 2.087 2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.883 3.798 2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.625 2.033 2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.204 1.960 3.743 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.540 0.969 3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.468 3.342 0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.167 4.354 0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.892 2.617 0.527 1.00 0.00 H new ATOM 412 N ALA A 25 -2.967 4.143 6.188 1.00 0.00 N ATOM 413 CA ALA A 25 -1.923 4.296 7.202 1.00 0.00 C ATOM 414 C ALA A 25 -2.376 3.757 8.551 1.00 0.00 C ATOM 415 O ALA A 25 -1.670 2.963 9.182 1.00 0.00 O ATOM 416 CB ALA A 25 -1.538 5.775 7.322 1.00 0.00 C ATOM 0 H ALA A 25 -3.280 5.027 5.787 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.053 3.717 6.891 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.760 5.888 8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.166 6.133 6.362 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.413 6.356 7.612 1.00 0.00 H new ATOM 422 N LEU A 26 -3.565 4.176 8.967 1.00 0.00 N ATOM 423 CA LEU A 26 -4.171 3.788 10.222 1.00 0.00 C ATOM 424 C LEU A 26 -4.242 2.266 10.355 1.00 0.00 C ATOM 425 O LEU A 26 -3.739 1.706 11.323 1.00 0.00 O ATOM 426 CB LEU A 26 -5.562 4.444 10.304 1.00 0.00 C ATOM 427 CG LEU A 26 -6.280 4.205 11.638 1.00 0.00 C ATOM 428 CD1 LEU A 26 -5.435 4.701 12.811 1.00 0.00 C ATOM 429 CD2 LEU A 26 -7.623 4.940 11.646 1.00 0.00 C ATOM 0 H LEU A 26 -4.145 4.813 8.421 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.562 4.134 11.057 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.457 5.517 10.145 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.183 4.061 9.494 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.441 3.132 11.746 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.967 4.520 13.745 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.484 4.168 12.826 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.250 5.770 12.700 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.127 4.766 12.596 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.454 6.009 11.516 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.245 4.569 10.832 1.00 0.00 H new ATOM 441 N GLU A 27 -4.780 1.596 9.346 1.00 0.00 N ATOM 442 CA GLU A 27 -4.975 0.154 9.301 1.00 0.00 C ATOM 443 C GLU A 27 -3.761 -0.704 8.948 1.00 0.00 C ATOM 444 O GLU A 27 -3.777 -1.902 9.259 1.00 0.00 O ATOM 445 CB GLU A 27 -6.005 -0.088 8.206 1.00 0.00 C ATOM 446 CG GLU A 27 -7.409 0.387 8.583 1.00 0.00 C ATOM 447 CD GLU A 27 -7.956 -0.452 9.732 1.00 0.00 C ATOM 448 OE1 GLU A 27 -8.063 -1.689 9.562 1.00 0.00 O ATOM 449 OE2 GLU A 27 -8.265 0.092 10.815 1.00 0.00 O ATOM 0 H GLU A 27 -5.107 2.063 8.500 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.252 -0.143 10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.687 0.424 7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.038 -1.153 7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.380 1.438 8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.071 0.311 7.720 1.00 0.00 H new ATOM 456 N SER A 28 -2.749 -0.167 8.267 1.00 0.00 N ATOM 457 CA SER A 28 -1.557 -0.924 7.880 1.00 0.00 C ATOM 458 C SER A 28 -0.436 -0.799 8.907 1.00 0.00 C ATOM 459 O SER A 28 0.452 -1.646 8.952 1.00 0.00 O ATOM 460 CB SER A 28 -1.034 -0.410 6.530 1.00 0.00 C ATOM 461 OG SER A 28 -0.677 0.955 6.606 1.00 0.00 O ATOM 0 H SER A 28 -2.732 0.808 7.967 1.00 0.00 H new ATOM 0 HA SER A 28 -1.850 -1.972 7.814 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.169 -0.998 6.224 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.798 -0.547 5.765 1.00 0.00 H new ATOM 0 HG SER A 28 -1.476 1.509 6.483 1.00 0.00 H new ATOM 467 N GLY A 29 -0.481 0.248 9.730 1.00 0.00 N ATOM 468 CA GLY A 29 0.554 0.513 10.726 1.00 0.00 C ATOM 469 C GLY A 29 1.656 1.409 10.140 1.00 0.00 C ATOM 470 O GLY A 29 2.637 1.720 10.822 1.00 0.00 O ATOM 0 H GLY A 29 -1.235 0.935 9.724 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.112 0.995 11.598 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.986 -0.428 11.067 1.00 0.00 H new ATOM 474 N LEU A 30 1.548 1.795 8.864 1.00 0.00 N ATOM 475 CA LEU A 30 2.485 2.668 8.158 1.00 0.00 C ATOM 476 C LEU A 30 2.014 4.107 8.376 1.00 0.00 C ATOM 477 O LEU A 30 1.115 4.369 9.179 1.00 0.00 O ATOM 478 CB LEU A 30 2.494 2.339 6.649 1.00 0.00 C ATOM 479 CG LEU A 30 2.946 0.913 6.302 1.00 0.00 C ATOM 480 CD1 LEU A 30 2.565 0.597 4.855 1.00 0.00 C ATOM 481 CD2 LEU A 30 4.459 0.738 6.486 1.00 0.00 C ATOM 0 H LEU A 30 0.773 1.494 8.273 1.00 0.00 H new ATOM 0 HA LEU A 30 3.498 2.528 8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.491 2.493 6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.150 3.046 6.141 1.00 0.00 H new ATOM 0 HG LEU A 30 2.444 0.224 6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.885 -0.415 4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.484 0.674 4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.054 1.306 4.187 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.741 -0.284 6.231 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.988 1.434 5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.725 0.939 7.524 1.00 0.00 H new ATOM 493 N SER A 31 2.645 5.054 7.691 1.00 0.00 N ATOM 494 CA SER A 31 2.299 6.463 7.749 1.00 0.00 C ATOM 495 C SER A 31 1.824 6.842 6.348 1.00 0.00 C ATOM 496 O SER A 31 2.314 6.300 5.351 1.00 0.00 O ATOM 497 CB SER A 31 3.489 7.288 8.238 1.00 0.00 C ATOM 498 OG SER A 31 3.032 8.520 8.753 1.00 0.00 O ATOM 0 H SER A 31 3.428 4.856 7.068 1.00 0.00 H new ATOM 0 HA SER A 31 1.505 6.668 8.466 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.033 6.740 9.008 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.186 7.461 7.418 1.00 0.00 H new ATOM 0 HG SER A 31 3.796 9.047 9.068 1.00 0.00 H new ATOM 504 N THR A 32 0.902 7.796 6.261 1.00 0.00 N ATOM 505 CA THR A 32 0.306 8.285 5.025 1.00 0.00 C ATOM 506 C THR A 32 1.397 8.689 4.029 1.00 0.00 C ATOM 507 O THR A 32 1.413 8.212 2.891 1.00 0.00 O ATOM 508 CB THR A 32 -0.632 9.461 5.362 1.00 0.00 C ATOM 509 OG1 THR A 32 -1.058 9.444 6.719 1.00 0.00 O ATOM 510 CG2 THR A 32 -1.865 9.519 4.478 1.00 0.00 C ATOM 0 H THR A 32 0.535 8.269 7.087 1.00 0.00 H new ATOM 0 HA THR A 32 -0.279 7.497 4.550 1.00 0.00 H new ATOM 0 HB THR A 32 -0.026 10.348 5.178 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.648 10.208 6.886 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.481 10.370 4.769 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.561 9.630 3.437 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.439 8.599 4.593 1.00 0.00 H new ATOM 518 N GLY A 33 2.353 9.515 4.477 1.00 0.00 N ATOM 519 CA GLY A 33 3.462 9.990 3.661 1.00 0.00 C ATOM 520 C GLY A 33 4.287 8.837 3.091 1.00 0.00 C ATOM 521 O GLY A 33 4.730 8.925 1.942 1.00 0.00 O ATOM 0 H GLY A 33 2.371 9.873 5.432 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.076 10.599 2.843 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.105 10.634 4.262 1.00 0.00 H new ATOM 525 N THR A 34 4.501 7.771 3.866 1.00 0.00 N ATOM 526 CA THR A 34 5.254 6.592 3.461 1.00 0.00 C ATOM 527 C THR A 34 4.494 5.845 2.361 1.00 0.00 C ATOM 528 O THR A 34 5.061 5.631 1.294 1.00 0.00 O ATOM 529 CB THR A 34 5.525 5.715 4.699 1.00 0.00 C ATOM 530 OG1 THR A 34 6.418 6.390 5.565 1.00 0.00 O ATOM 531 CG2 THR A 34 6.059 4.325 4.351 1.00 0.00 C ATOM 0 H THR A 34 4.143 7.707 4.819 1.00 0.00 H new ATOM 0 HA THR A 34 6.219 6.877 3.042 1.00 0.00 H new ATOM 0 HB THR A 34 4.569 5.552 5.197 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.331 6.072 5.406 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.228 3.760 5.268 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.332 3.801 3.731 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.998 4.422 3.806 1.00 0.00 H new ATOM 539 N ILE A 35 3.224 5.481 2.581 1.00 0.00 N ATOM 540 CA ILE A 35 2.396 4.754 1.611 1.00 0.00 C ATOM 541 C ILE A 35 2.385 5.504 0.284 1.00 0.00 C ATOM 542 O ILE A 35 2.707 4.942 -0.761 1.00 0.00 O ATOM 543 CB ILE A 35 0.959 4.592 2.153 1.00 0.00 C ATOM 544 CG1 ILE A 35 0.940 3.739 3.432 1.00 0.00 C ATOM 545 CG2 ILE A 35 0.015 3.953 1.113 1.00 0.00 C ATOM 546 CD1 ILE A 35 -0.250 4.110 4.305 1.00 0.00 C ATOM 0 H ILE A 35 2.735 5.687 3.452 1.00 0.00 H new ATOM 0 HA ILE A 35 2.817 3.761 1.452 1.00 0.00 H new ATOM 0 HB ILE A 35 0.603 5.597 2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.890 2.682 3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.866 3.887 3.988 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.984 3.859 1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.027 4.583 0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.388 2.966 0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.246 3.496 5.205 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.183 5.162 4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.174 3.939 3.753 1.00 0.00 H new ATOM 558 N SER A 36 2.018 6.781 0.338 1.00 0.00 N ATOM 559 CA SER A 36 1.944 7.650 -0.816 1.00 0.00 C ATOM 560 C SER A 36 3.286 7.656 -1.557 1.00 0.00 C ATOM 561 O SER A 36 3.305 7.558 -2.782 1.00 0.00 O ATOM 562 CB SER A 36 1.489 9.022 -0.281 1.00 0.00 C ATOM 563 OG SER A 36 1.831 10.127 -1.088 1.00 0.00 O ATOM 0 H SER A 36 1.759 7.244 1.209 1.00 0.00 H new ATOM 0 HA SER A 36 1.227 7.317 -1.567 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.406 9.004 -0.158 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.920 9.169 0.709 1.00 0.00 H new ATOM 0 HG SER A 36 1.501 10.951 -0.672 1.00 0.00 H new ATOM 569 N SER A 37 4.407 7.751 -0.838 1.00 0.00 N ATOM 570 CA SER A 37 5.723 7.774 -1.459 1.00 0.00 C ATOM 571 C SER A 37 6.083 6.415 -2.061 1.00 0.00 C ATOM 572 O SER A 37 6.687 6.375 -3.129 1.00 0.00 O ATOM 573 CB SER A 37 6.737 8.258 -0.429 1.00 0.00 C ATOM 574 OG SER A 37 7.892 8.788 -1.030 1.00 0.00 O ATOM 0 H SER A 37 4.424 7.813 0.180 1.00 0.00 H new ATOM 0 HA SER A 37 5.727 8.469 -2.299 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.277 9.018 0.202 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.016 7.429 0.222 1.00 0.00 H new ATOM 0 HG SER A 37 8.514 9.088 -0.335 1.00 0.00 H new ATOM 580 N PHE A 38 5.721 5.302 -1.418 1.00 0.00 N ATOM 581 CA PHE A 38 5.996 3.957 -1.914 1.00 0.00 C ATOM 582 C PHE A 38 5.274 3.786 -3.250 1.00 0.00 C ATOM 583 O PHE A 38 5.857 3.309 -4.225 1.00 0.00 O ATOM 584 CB PHE A 38 5.543 2.922 -0.873 1.00 0.00 C ATOM 585 CG PHE A 38 5.522 1.491 -1.376 1.00 0.00 C ATOM 586 CD1 PHE A 38 4.365 0.977 -1.996 1.00 0.00 C ATOM 587 CD2 PHE A 38 6.651 0.667 -1.219 1.00 0.00 C ATOM 588 CE1 PHE A 38 4.340 -0.348 -2.467 1.00 0.00 C ATOM 589 CE2 PHE A 38 6.616 -0.658 -1.684 1.00 0.00 C ATOM 590 CZ PHE A 38 5.469 -1.165 -2.316 1.00 0.00 C ATOM 0 H PHE A 38 5.223 5.313 -0.528 1.00 0.00 H new ATOM 0 HA PHE A 38 7.063 3.805 -2.074 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.205 2.980 -0.009 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.544 3.187 -0.527 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.493 1.604 -2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.541 1.051 -0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.452 -0.735 -2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 38 7.480 -1.293 -1.554 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.457 -2.180 -2.684 1.00 0.00 H new ATOM 600 N ILE A 39 4.007 4.203 -3.303 1.00 0.00 N ATOM 601 CA ILE A 39 3.181 4.131 -4.497 1.00 0.00 C ATOM 602 C ILE A 39 3.813 5.012 -5.579 1.00 0.00 C ATOM 603 O ILE A 39 4.000 4.553 -6.706 1.00 0.00 O ATOM 604 CB ILE A 39 1.731 4.520 -4.145 1.00 0.00 C ATOM 605 CG1 ILE A 39 1.098 3.451 -3.226 1.00 0.00 C ATOM 606 CG2 ILE A 39 0.880 4.636 -5.410 1.00 0.00 C ATOM 607 CD1 ILE A 39 -0.241 3.893 -2.647 1.00 0.00 C ATOM 0 H ILE A 39 3.524 4.606 -2.500 1.00 0.00 H new ATOM 0 HA ILE A 39 3.134 3.117 -4.894 1.00 0.00 H new ATOM 0 HB ILE A 39 1.760 5.482 -3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.959 2.529 -3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.785 3.225 -2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.139 4.911 -5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.301 5.401 -6.063 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.871 3.679 -5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.640 3.104 -2.010 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.101 4.799 -2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.941 4.092 -3.459 1.00 0.00 H new ATOM 619 N ASN A 40 4.184 6.249 -5.231 1.00 0.00 N ATOM 620 CA ASN A 40 4.815 7.211 -6.132 1.00 0.00 C ATOM 621 C ASN A 40 6.253 6.811 -6.490 1.00 0.00 C ATOM 622 O ASN A 40 6.912 7.568 -7.198 1.00 0.00 O ATOM 623 CB ASN A 40 4.862 8.615 -5.484 1.00 0.00 C ATOM 624 CG ASN A 40 3.555 9.393 -5.462 1.00 0.00 C ATOM 625 OD1 ASN A 40 3.215 10.033 -4.469 1.00 0.00 O ATOM 626 ND2 ASN A 40 2.841 9.470 -6.568 1.00 0.00 N ATOM 0 H ASN A 40 4.049 6.615 -4.289 1.00 0.00 H new ATOM 0 HA ASN A 40 4.210 7.224 -7.039 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.212 8.506 -4.458 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.606 9.211 -6.013 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.009 10.059 -6.598 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.121 8.940 -7.393 1.00 0.00 H new ATOM 633 N ASP A 41 6.768 5.675 -5.996 1.00 0.00 N ATOM 634 CA ASP A 41 8.128 5.149 -6.208 1.00 0.00 C ATOM 635 C ASP A 41 9.202 6.033 -5.547 1.00 0.00 C ATOM 636 O ASP A 41 10.388 5.710 -5.576 1.00 0.00 O ATOM 637 CB ASP A 41 8.436 4.940 -7.712 1.00 0.00 C ATOM 638 CG ASP A 41 8.538 3.474 -8.117 1.00 0.00 C ATOM 639 OD1 ASP A 41 7.482 2.908 -8.471 1.00 0.00 O ATOM 640 OD2 ASP A 41 9.674 2.934 -8.164 1.00 0.00 O ATOM 0 H ASP A 41 6.213 5.060 -5.401 1.00 0.00 H new ATOM 0 HA ASP A 41 8.161 4.174 -5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.655 5.418 -8.304 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.373 5.441 -7.955 1.00 0.00 H new ATOM 645 N LYS A 42 8.797 7.137 -4.920 1.00 0.00 N ATOM 646 CA LYS A 42 9.619 8.147 -4.271 1.00 0.00 C ATOM 647 C LYS A 42 10.262 7.714 -2.971 1.00 0.00 C ATOM 648 O LYS A 42 11.310 8.261 -2.612 1.00 0.00 O ATOM 649 CB LYS A 42 8.743 9.368 -3.991 1.00 0.00 C ATOM 650 CG LYS A 42 8.576 10.224 -5.246 1.00 0.00 C ATOM 651 CD LYS A 42 7.722 11.440 -4.900 1.00 0.00 C ATOM 652 CE LYS A 42 7.881 12.550 -5.935 1.00 0.00 C ATOM 653 NZ LYS A 42 7.395 12.190 -7.283 1.00 0.00 N ATOM 0 H LYS A 42 7.805 7.362 -4.850 1.00 0.00 H new ATOM 0 HA LYS A 42 10.440 8.356 -4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.765 9.044 -3.635 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.190 9.965 -3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.550 10.540 -5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.104 9.644 -6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.674 11.145 -4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.004 11.816 -3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.344 13.433 -5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.934 12.823 -6.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.536 12.993 -7.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.924 11.366 -7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.382 11.958 -7.236 1.00 0.00 H new ATOM 667 N TYR A 43 9.680 6.748 -2.273 1.00 0.00 N ATOM 668 CA TYR A 43 10.215 6.322 -0.994 1.00 0.00 C ATOM 669 C TYR A 43 11.608 5.710 -1.101 1.00 0.00 C ATOM 670 O TYR A 43 11.950 5.085 -2.108 1.00 0.00 O ATOM 671 CB TYR A 43 9.217 5.385 -0.317 1.00 0.00 C ATOM 672 CG TYR A 43 9.318 5.386 1.195 1.00 0.00 C ATOM 673 CD1 TYR A 43 9.105 6.595 1.886 1.00 0.00 C ATOM 674 CD2 TYR A 43 9.573 4.206 1.918 1.00 0.00 C ATOM 675 CE1 TYR A 43 9.109 6.630 3.286 1.00 0.00 C ATOM 676 CE2 TYR A 43 9.572 4.233 3.326 1.00 0.00 C ATOM 677 CZ TYR A 43 9.333 5.447 4.014 1.00 0.00 C ATOM 678 OH TYR A 43 9.225 5.501 5.368 1.00 0.00 O ATOM 0 H TYR A 43 8.842 6.249 -2.572 1.00 0.00 H new ATOM 0 HA TYR A 43 10.349 7.206 -0.370 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.206 5.673 -0.606 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.376 4.371 -0.683 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.937 7.505 1.330 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.769 3.282 1.394 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.941 7.562 3.805 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.754 3.325 3.882 1.00 0.00 H new ATOM 0 HH TYR A 43 9.403 4.615 5.746 1.00 0.00 H new ATOM 688 N ASN A 44 12.403 5.878 -0.049 1.00 0.00 N ATOM 689 CA ASN A 44 13.760 5.376 0.095 1.00 0.00 C ATOM 690 C ASN A 44 13.979 5.236 1.596 1.00 0.00 C ATOM 691 O ASN A 44 14.271 6.229 2.257 1.00 0.00 O ATOM 692 CB ASN A 44 14.789 6.330 -0.544 1.00 0.00 C ATOM 693 CG ASN A 44 16.248 6.018 -0.196 1.00 0.00 C ATOM 694 OD1 ASN A 44 17.114 6.875 -0.317 1.00 0.00 O ATOM 695 ND2 ASN A 44 16.618 4.799 0.153 1.00 0.00 N ATOM 0 H ASN A 44 12.097 6.399 0.773 1.00 0.00 H new ATOM 0 HA ASN A 44 13.893 4.425 -0.420 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.672 6.297 -1.627 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.564 7.349 -0.230 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.604 4.592 0.314 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.918 4.065 0.261 1.00 0.00 H new ATOM 702 N GLY A 45 13.807 4.031 2.133 1.00 0.00 N ATOM 703 CA GLY A 45 13.976 3.752 3.546 1.00 0.00 C ATOM 704 C GLY A 45 13.271 2.455 3.905 1.00 0.00 C ATOM 705 O GLY A 45 12.070 2.463 4.174 1.00 0.00 O ATOM 0 H GLY A 45 13.542 3.212 1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.037 3.678 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.571 4.572 4.139 1.00 0.00 H new ATOM 709 N ASP A 46 13.999 1.333 3.869 1.00 0.00 N ATOM 710 CA ASP A 46 13.489 -0.008 4.193 1.00 0.00 C ATOM 711 C ASP A 46 12.172 -0.268 3.439 1.00 0.00 C ATOM 712 O ASP A 46 11.161 -0.695 4.004 1.00 0.00 O ATOM 713 CB ASP A 46 13.338 -0.156 5.722 1.00 0.00 C ATOM 714 CG ASP A 46 14.632 -0.060 6.526 1.00 0.00 C ATOM 715 OD1 ASP A 46 15.747 -0.100 5.946 1.00 0.00 O ATOM 716 OD2 ASP A 46 14.531 0.021 7.771 1.00 0.00 O ATOM 0 H ASP A 46 14.985 1.330 3.607 1.00 0.00 H new ATOM 0 HA ASP A 46 14.200 -0.766 3.864 1.00 0.00 H new ATOM 0 HB2 ASP A 46 12.653 0.614 6.077 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.872 -1.119 5.931 1.00 0.00 H new ATOM 721 N ASN A 47 12.162 0.032 2.137 1.00 0.00 N ATOM 722 CA ASN A 47 10.994 -0.107 1.272 1.00 0.00 C ATOM 723 C ASN A 47 10.403 -1.512 1.270 1.00 0.00 C ATOM 724 O ASN A 47 9.198 -1.635 1.056 1.00 0.00 O ATOM 725 CB ASN A 47 11.252 0.317 -0.182 1.00 0.00 C ATOM 726 CG ASN A 47 11.847 1.700 -0.386 1.00 0.00 C ATOM 727 OD1 ASN A 47 12.790 2.102 0.287 1.00 0.00 O ATOM 728 ND2 ASN A 47 11.345 2.459 -1.339 1.00 0.00 N ATOM 0 H ASN A 47 12.984 0.385 1.648 1.00 0.00 H new ATOM 0 HA ASN A 47 10.271 0.579 1.714 1.00 0.00 H new ATOM 0 HB2 ASN A 47 11.921 -0.413 -0.638 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.308 0.267 -0.725 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.741 3.382 -1.518 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.561 2.124 -1.898 1.00 0.00 H new ATOM 735 N GLU A 48 11.209 -2.563 1.446 1.00 0.00 N ATOM 736 CA GLU A 48 10.695 -3.930 1.465 1.00 0.00 C ATOM 737 C GLU A 48 9.749 -4.109 2.662 1.00 0.00 C ATOM 738 O GLU A 48 8.732 -4.797 2.570 1.00 0.00 O ATOM 739 CB GLU A 48 11.830 -4.961 1.481 1.00 0.00 C ATOM 740 CG GLU A 48 11.273 -6.330 1.071 1.00 0.00 C ATOM 741 CD GLU A 48 12.250 -7.484 1.268 1.00 0.00 C ATOM 742 OE1 GLU A 48 13.460 -7.375 0.958 1.00 0.00 O ATOM 743 OE2 GLU A 48 11.782 -8.582 1.639 1.00 0.00 O ATOM 0 H GLU A 48 12.218 -2.491 1.577 1.00 0.00 H new ATOM 0 HA GLU A 48 10.132 -4.104 0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.623 -4.658 0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.272 -5.018 2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.370 -6.530 1.647 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.980 -6.292 0.022 1.00 0.00 H new ATOM 750 N ARG A 49 10.057 -3.479 3.803 1.00 0.00 N ATOM 751 CA ARG A 49 9.196 -3.571 4.978 1.00 0.00 C ATOM 752 C ARG A 49 7.848 -2.943 4.630 1.00 0.00 C ATOM 753 O ARG A 49 6.805 -3.429 5.078 1.00 0.00 O ATOM 754 CB ARG A 49 9.857 -2.873 6.175 1.00 0.00 C ATOM 755 CG ARG A 49 9.114 -3.197 7.478 1.00 0.00 C ATOM 756 CD ARG A 49 9.694 -2.440 8.677 1.00 0.00 C ATOM 757 NE ARG A 49 9.447 -0.988 8.627 1.00 0.00 N ATOM 758 CZ ARG A 49 8.290 -0.357 8.870 1.00 0.00 C ATOM 759 NH1 ARG A 49 7.188 -1.035 9.182 1.00 0.00 N ATOM 760 NH2 ARG A 49 8.226 0.967 8.800 1.00 0.00 N ATOM 0 H ARG A 49 10.890 -2.905 3.932 1.00 0.00 H new ATOM 0 HA ARG A 49 9.042 -4.612 5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.897 -3.189 6.257 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.864 -1.795 6.014 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.060 -2.944 7.366 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.166 -4.269 7.667 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.264 -2.843 9.594 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.769 -2.617 8.724 1.00 0.00 H new ATOM 0 HE ARG A 49 10.243 -0.400 8.381 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.215 -2.053 9.240 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.317 -0.537 9.364 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.058 1.506 8.561 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.344 1.445 8.985 1.00 0.00 H new ATOM 774 N VAL A 50 7.861 -1.854 3.856 1.00 0.00 N ATOM 775 CA VAL A 50 6.647 -1.173 3.441 1.00 0.00 C ATOM 776 C VAL A 50 5.854 -2.121 2.543 1.00 0.00 C ATOM 777 O VAL A 50 4.685 -2.343 2.849 1.00 0.00 O ATOM 778 CB VAL A 50 6.941 0.185 2.769 1.00 0.00 C ATOM 779 CG1 VAL A 50 5.648 0.957 2.480 1.00 0.00 C ATOM 780 CG2 VAL A 50 7.825 1.071 3.647 1.00 0.00 C ATOM 0 H VAL A 50 8.717 -1.425 3.503 1.00 0.00 H new ATOM 0 HA VAL A 50 6.046 -0.925 4.315 1.00 0.00 H new ATOM 0 HB VAL A 50 7.458 -0.045 1.837 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.890 1.909 2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.016 0.371 1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.118 1.141 3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.009 2.018 3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.323 1.260 4.596 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.774 0.568 3.833 1.00 0.00 H new ATOM 790 N SER A 51 6.446 -2.696 1.483 1.00 0.00 N ATOM 791 CA SER A 51 5.718 -3.603 0.599 1.00 0.00 C ATOM 792 C SER A 51 5.094 -4.735 1.404 1.00 0.00 C ATOM 793 O SER A 51 3.882 -4.917 1.335 1.00 0.00 O ATOM 794 CB SER A 51 6.582 -4.126 -0.556 1.00 0.00 C ATOM 795 OG SER A 51 7.888 -4.483 -0.189 1.00 0.00 O ATOM 0 H SER A 51 7.421 -2.546 1.224 1.00 0.00 H new ATOM 0 HA SER A 51 4.916 -3.033 0.130 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.091 -4.994 -0.996 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.632 -3.361 -1.331 1.00 0.00 H new ATOM 0 HG SER A 51 7.940 -4.577 0.785 1.00 0.00 H new ATOM 801 N GLN A 52 5.885 -5.424 2.229 1.00 0.00 N ATOM 802 CA GLN A 52 5.429 -6.532 3.060 1.00 0.00 C ATOM 803 C GLN A 52 4.261 -6.115 3.960 1.00 0.00 C ATOM 804 O GLN A 52 3.308 -6.885 4.116 1.00 0.00 O ATOM 805 CB GLN A 52 6.619 -7.059 3.876 1.00 0.00 C ATOM 806 CG GLN A 52 7.556 -7.939 3.030 1.00 0.00 C ATOM 807 CD GLN A 52 7.031 -9.370 2.945 1.00 0.00 C ATOM 808 OE1 GLN A 52 7.343 -10.195 3.802 1.00 0.00 O ATOM 809 NE2 GLN A 52 6.204 -9.714 1.971 1.00 0.00 N ATOM 0 H GLN A 52 6.879 -5.221 2.338 1.00 0.00 H new ATOM 0 HA GLN A 52 5.051 -7.332 2.423 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.181 -6.218 4.282 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.250 -7.635 4.725 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.647 -7.521 2.028 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.554 -7.939 3.467 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.943 -9.032 1.259 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.827 -10.661 1.933 1.00 0.00 H new ATOM 818 N THR A 53 4.297 -4.910 4.534 1.00 0.00 N ATOM 819 CA THR A 53 3.220 -4.429 5.390 1.00 0.00 C ATOM 820 C THR A 53 1.952 -4.176 4.553 1.00 0.00 C ATOM 821 O THR A 53 0.837 -4.423 5.024 1.00 0.00 O ATOM 822 CB THR A 53 3.672 -3.148 6.114 1.00 0.00 C ATOM 823 OG1 THR A 53 4.830 -3.361 6.899 1.00 0.00 O ATOM 824 CG2 THR A 53 2.597 -2.642 7.071 1.00 0.00 C ATOM 0 H THR A 53 5.066 -4.250 4.418 1.00 0.00 H new ATOM 0 HA THR A 53 2.983 -5.185 6.139 1.00 0.00 H new ATOM 0 HB THR A 53 3.872 -2.425 5.323 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.627 -3.292 6.332 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.948 -1.736 7.566 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.687 -2.421 6.512 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.387 -3.406 7.819 1.00 0.00 H new ATOM 832 N LEU A 54 2.100 -3.665 3.325 1.00 0.00 N ATOM 833 CA LEU A 54 0.978 -3.374 2.443 1.00 0.00 C ATOM 834 C LEU A 54 0.313 -4.682 2.031 1.00 0.00 C ATOM 835 O LEU A 54 -0.911 -4.713 1.956 1.00 0.00 O ATOM 836 CB LEU A 54 1.428 -2.556 1.220 1.00 0.00 C ATOM 837 CG LEU A 54 1.933 -1.139 1.560 1.00 0.00 C ATOM 838 CD1 LEU A 54 2.684 -0.534 0.374 1.00 0.00 C ATOM 839 CD2 LEU A 54 0.823 -0.178 1.968 1.00 0.00 C ATOM 0 H LEU A 54 3.009 -3.443 2.919 1.00 0.00 H new ATOM 0 HA LEU A 54 0.250 -2.763 2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.221 -3.099 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.593 -2.475 0.524 1.00 0.00 H new ATOM 0 HG LEU A 54 2.596 -1.265 2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.032 0.466 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.539 -1.162 0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.017 -0.473 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.252 0.799 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.107 -0.081 1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.315 -0.563 2.852 1.00 0.00 H new ATOM 851 N GLN A 55 1.086 -5.758 1.824 1.00 0.00 N ATOM 852 CA GLN A 55 0.555 -7.068 1.446 1.00 0.00 C ATOM 853 C GLN A 55 -0.443 -7.540 2.496 1.00 0.00 C ATOM 854 O GLN A 55 -1.563 -7.907 2.165 1.00 0.00 O ATOM 855 CB GLN A 55 1.664 -8.124 1.304 1.00 0.00 C ATOM 856 CG GLN A 55 2.727 -7.728 0.280 1.00 0.00 C ATOM 857 CD GLN A 55 3.447 -8.895 -0.385 1.00 0.00 C ATOM 858 OE1 GLN A 55 4.669 -8.990 -0.287 1.00 0.00 O ATOM 859 NE2 GLN A 55 2.744 -9.768 -1.085 1.00 0.00 N ATOM 0 H GLN A 55 2.102 -5.740 1.916 1.00 0.00 H new ATOM 0 HA GLN A 55 0.069 -6.953 0.477 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.139 -8.279 2.273 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.219 -9.075 1.011 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.256 -7.122 -0.494 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.467 -7.097 0.772 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.731 -9.670 -1.153 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.214 -10.540 -1.557 1.00 0.00 H new ATOM 868 N ARG A 56 -0.053 -7.500 3.773 1.00 0.00 N ATOM 869 CA ARG A 56 -0.919 -7.927 4.868 1.00 0.00 C ATOM 870 C ARG A 56 -2.210 -7.123 4.886 1.00 0.00 C ATOM 871 O ARG A 56 -3.284 -7.683 5.095 1.00 0.00 O ATOM 872 CB ARG A 56 -0.194 -7.767 6.204 1.00 0.00 C ATOM 873 CG ARG A 56 0.965 -8.766 6.341 1.00 0.00 C ATOM 874 CD ARG A 56 1.708 -8.642 7.683 1.00 0.00 C ATOM 875 NE ARG A 56 0.800 -8.498 8.838 1.00 0.00 N ATOM 876 CZ ARG A 56 -0.169 -9.348 9.208 1.00 0.00 C ATOM 877 NH1 ARG A 56 -0.291 -10.535 8.627 1.00 0.00 N ATOM 878 NH2 ARG A 56 -1.029 -8.995 10.150 1.00 0.00 N ATOM 0 H ARG A 56 0.866 -7.173 4.072 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.167 -8.977 4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.189 -6.750 6.291 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.900 -7.913 7.022 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.578 -9.780 6.238 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.671 -8.610 5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 56 2.333 -9.523 7.828 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.375 -7.781 7.644 1.00 0.00 H new ATOM 0 HE ARG A 56 0.922 -7.666 9.415 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.357 -10.811 7.889 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.033 -11.172 8.918 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.954 -8.079 10.592 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.767 -9.639 10.434 1.00 0.00 H new ATOM 892 N TRP A 57 -2.106 -5.805 4.710 1.00 0.00 N ATOM 893 CA TRP A 57 -3.283 -4.962 4.699 1.00 0.00 C ATOM 894 C TRP A 57 -4.169 -5.335 3.503 1.00 0.00 C ATOM 895 O TRP A 57 -5.369 -5.492 3.687 1.00 0.00 O ATOM 896 CB TRP A 57 -2.874 -3.486 4.736 1.00 0.00 C ATOM 897 CG TRP A 57 -4.009 -2.513 4.650 1.00 0.00 C ATOM 898 CD1 TRP A 57 -4.644 -1.901 5.670 1.00 0.00 C ATOM 899 CD2 TRP A 57 -4.680 -2.046 3.452 1.00 0.00 C ATOM 900 NE1 TRP A 57 -5.634 -1.071 5.171 1.00 0.00 N ATOM 901 CE2 TRP A 57 -5.676 -1.098 3.797 1.00 0.00 C ATOM 902 CE3 TRP A 57 -4.502 -2.321 2.093 1.00 0.00 C ATOM 903 CZ2 TRP A 57 -6.440 -0.437 2.826 1.00 0.00 C ATOM 904 CZ3 TRP A 57 -5.245 -1.674 1.100 1.00 0.00 C ATOM 905 CH2 TRP A 57 -6.225 -0.733 1.468 1.00 0.00 C ATOM 0 H TRP A 57 -1.224 -5.310 4.575 1.00 0.00 H new ATOM 0 HA TRP A 57 -3.884 -5.127 5.593 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.325 -3.300 5.659 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -2.187 -3.294 3.912 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -4.415 -2.037 6.717 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -6.256 -0.509 5.752 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.767 -3.057 1.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.184 0.290 3.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -5.068 -1.895 0.058 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -6.812 -0.239 0.708 1.00 0.00 H new ATOM 916 N LEU A 58 -3.600 -5.509 2.303 1.00 0.00 N ATOM 917 CA LEU A 58 -4.342 -5.859 1.089 1.00 0.00 C ATOM 918 C LEU A 58 -5.011 -7.215 1.237 1.00 0.00 C ATOM 919 O LEU A 58 -6.126 -7.365 0.763 1.00 0.00 O ATOM 920 CB LEU A 58 -3.425 -5.870 -0.145 1.00 0.00 C ATOM 921 CG LEU A 58 -3.225 -4.484 -0.766 1.00 0.00 C ATOM 922 CD1 LEU A 58 -1.868 -4.384 -1.478 1.00 0.00 C ATOM 923 CD2 LEU A 58 -4.329 -4.065 -1.728 1.00 0.00 C ATOM 0 H LEU A 58 -2.597 -5.409 2.148 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.107 -5.096 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.454 -6.277 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.846 -6.539 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.260 -3.794 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.755 -3.389 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.067 -4.562 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.817 -5.130 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.111 -3.073 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.385 -4.778 -2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.283 -4.044 -1.200 1.00 0.00 H new ATOM 935 N GLU A 59 -4.366 -8.174 1.896 1.00 0.00 N ATOM 936 CA GLU A 59 -4.908 -9.507 2.120 1.00 0.00 C ATOM 937 C GLU A 59 -6.187 -9.387 2.955 1.00 0.00 C ATOM 938 O GLU A 59 -7.168 -10.072 2.669 1.00 0.00 O ATOM 939 CB GLU A 59 -3.835 -10.399 2.767 1.00 0.00 C ATOM 940 CG GLU A 59 -2.849 -10.897 1.694 1.00 0.00 C ATOM 941 CD GLU A 59 -1.549 -11.493 2.246 1.00 0.00 C ATOM 942 OE1 GLU A 59 -1.542 -12.070 3.361 1.00 0.00 O ATOM 943 OE2 GLU A 59 -0.525 -11.444 1.515 1.00 0.00 O ATOM 0 H GLU A 59 -3.437 -8.042 2.295 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.180 -9.986 1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.299 -9.840 3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.306 -11.248 3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.347 -11.650 1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.600 -10.065 1.035 1.00 0.00 H new ATOM 950 N LYS A 60 -6.209 -8.535 3.991 1.00 0.00 N ATOM 951 CA LYS A 60 -7.418 -8.352 4.799 1.00 0.00 C ATOM 952 C LYS A 60 -8.473 -7.559 4.023 1.00 0.00 C ATOM 953 O LYS A 60 -9.660 -7.685 4.309 1.00 0.00 O ATOM 954 CB LYS A 60 -7.150 -7.806 6.213 1.00 0.00 C ATOM 955 CG LYS A 60 -6.683 -6.347 6.367 1.00 0.00 C ATOM 956 CD LYS A 60 -7.044 -5.801 7.761 1.00 0.00 C ATOM 957 CE LYS A 60 -6.519 -4.378 8.013 1.00 0.00 C ATOM 958 NZ LYS A 60 -5.188 -4.376 8.660 1.00 0.00 N ATOM 0 H LYS A 60 -5.412 -7.969 4.284 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.829 -9.344 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.067 -7.922 6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.398 -8.444 6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.605 -6.288 6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.147 -5.729 5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.128 -5.806 7.876 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.640 -6.470 8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.461 -3.842 7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.227 -3.838 8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.869 -3.395 8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.250 -4.849 9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.508 -4.882 8.057 1.00 0.00 H new ATOM 972 N TYR A 61 -8.051 -6.664 3.131 1.00 0.00 N ATOM 973 CA TYR A 61 -8.922 -5.822 2.326 1.00 0.00 C ATOM 974 C TYR A 61 -9.602 -6.579 1.178 1.00 0.00 C ATOM 975 O TYR A 61 -10.826 -6.676 1.169 1.00 0.00 O ATOM 976 CB TYR A 61 -8.133 -4.600 1.830 1.00 0.00 C ATOM 977 CG TYR A 61 -8.707 -3.293 2.323 1.00 0.00 C ATOM 978 CD1 TYR A 61 -8.636 -2.949 3.685 1.00 0.00 C ATOM 979 CD2 TYR A 61 -9.338 -2.432 1.416 1.00 0.00 C ATOM 980 CE1 TYR A 61 -9.200 -1.741 4.134 1.00 0.00 C ATOM 981 CE2 TYR A 61 -9.865 -1.203 1.838 1.00 0.00 C ATOM 982 CZ TYR A 61 -9.823 -0.866 3.212 1.00 0.00 C ATOM 983 OH TYR A 61 -10.386 0.292 3.652 1.00 0.00 O ATOM 0 H TYR A 61 -7.061 -6.503 2.946 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.741 -5.483 2.960 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.097 -4.684 2.159 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -8.122 -4.598 0.740 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.149 -3.612 4.385 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -9.420 -2.719 0.378 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.158 -1.481 5.181 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -10.298 -0.521 1.122 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.904 0.610 4.444 1.00 0.00 H new ATOM 993 N HIS A 62 -8.838 -7.138 0.233 1.00 0.00 N ATOM 994 CA HIS A 62 -9.392 -7.862 -0.923 1.00 0.00 C ATOM 995 C HIS A 62 -10.117 -9.185 -0.644 1.00 0.00 C ATOM 996 O HIS A 62 -10.791 -9.673 -1.555 1.00 0.00 O ATOM 997 CB HIS A 62 -8.285 -8.136 -1.950 1.00 0.00 C ATOM 998 CG HIS A 62 -7.908 -6.914 -2.733 1.00 0.00 C ATOM 999 ND1 HIS A 62 -8.525 -6.456 -3.876 1.00 0.00 N ATOM 1000 CD2 HIS A 62 -6.948 -6.013 -2.386 1.00 0.00 C ATOM 1001 CE1 HIS A 62 -7.946 -5.300 -4.225 1.00 0.00 C ATOM 1002 NE2 HIS A 62 -6.970 -4.998 -3.350 1.00 0.00 N ATOM 0 H HIS A 62 -7.819 -7.103 0.245 1.00 0.00 H new ATOM 0 HA HIS A 62 -10.163 -7.185 -1.290 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -7.404 -8.519 -1.435 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -8.617 -8.915 -2.637 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -9.289 -6.917 -4.370 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.293 -6.070 -1.529 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.221 -4.701 -5.080 1.00 0.00 H new ATOM 1010 N ALA A 63 -9.988 -9.800 0.534 1.00 0.00 N ATOM 1011 CA ALA A 63 -10.653 -11.070 0.832 1.00 0.00 C ATOM 1012 C ALA A 63 -11.702 -10.896 1.911 1.00 0.00 C ATOM 1013 O ALA A 63 -12.452 -11.860 2.163 1.00 0.00 O ATOM 1014 CB ALA A 63 -9.609 -12.124 1.212 1.00 0.00 C ATOM 0 H ALA A 63 -9.425 -9.435 1.302 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.175 -11.416 -0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.108 -13.067 1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.916 -12.266 0.382 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.058 -11.790 2.091 1.00 0.00 H new TER 1020 ALA A 63