USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 735 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 117 ASN : amide:sc= 0 K(o=-1.6,f=-3.3) USER MOD Set 1.2: A 119 ASN : amide:sc= -1.55! K(o=-1.6!,f=-0.11) USER MOD Set 2.1: A 54 HIS : no HD1:sc= -0.0721 X(o=-0.31,f=-0.24) USER MOD Set 2.2: A 65 ASN : amide:sc= -0.236 K(o=-0.31,f=-1.7) USER MOD Set 3.1: A 36 MET CE :methyl -110:sc= -0.576 (180deg=-2.6!) USER MOD Set 3.2: A 39 THR OG1 : rot 85:sc= 1.22 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 1.05 (180deg=0.852) USER MOD Single : A 34 THR OG1 : rot 70:sc= 1.13 USER MOD Single : A 38 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.22) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 59 THR OG1 : rot 75:sc= 1.03 USER MOD Single : A 64 SER OG : rot 113:sc= 1.26 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0621 USER MOD Single : A 72 THR OG1 : rot 37:sc= 0.1 USER MOD Single : A 73 THR OG1 : rot 153:sc= 0.759 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 130:sc= 1.31 USER MOD Single : A 79 MET CE :methyl -154:sc= -0.45 (180deg=-1.37) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -153:sc= 1.26 (180deg=1.12) USER MOD Single : A 87 SER OG : rot 43:sc= 0.11 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -3.13 K(o=-3.1,f=-1.7) USER MOD Single : A 93 SER OG : rot 86:sc= 1.32 USER MOD Single : A 95 ASN : amide:sc= -0.888 K(o=-0.89,f=-0.0021) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -134:sc= -0.324 (180deg=-1.56) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.75) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 128 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 35 N ASN A 26 -16.999 -9.918 -4.609 1.00 0.00 N ATOM 36 CA ASN A 26 -17.326 -8.517 -4.368 1.00 0.00 C ATOM 37 C ASN A 26 -16.644 -7.639 -5.407 1.00 0.00 C ATOM 38 O ASN A 26 -15.744 -6.858 -5.087 1.00 0.00 O ATOM 39 CB ASN A 26 -16.903 -8.083 -2.958 1.00 0.00 C ATOM 40 CG ASN A 26 -17.631 -8.841 -1.866 1.00 0.00 C ATOM 41 OD1 ASN A 26 -17.175 -9.892 -1.419 1.00 0.00 O ATOM 42 ND2 ASN A 26 -18.762 -8.315 -1.422 1.00 0.00 N ATOM 0 HA ASN A 26 -18.407 -8.402 -4.449 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.829 -8.233 -2.844 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -17.091 -7.016 -2.840 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -19.287 -8.784 -0.684 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -19.108 -7.441 -1.818 1.00 0.00 H new ATOM 49 N TYR A 27 -17.086 -7.776 -6.652 1.00 0.00 N ATOM 50 CA TYR A 27 -16.477 -7.080 -7.781 1.00 0.00 C ATOM 51 C TYR A 27 -16.567 -5.562 -7.624 1.00 0.00 C ATOM 52 O TYR A 27 -15.659 -4.833 -8.034 1.00 0.00 O ATOM 53 CB TYR A 27 -17.134 -7.520 -9.098 1.00 0.00 C ATOM 54 CG TYR A 27 -18.608 -7.183 -9.213 1.00 0.00 C ATOM 55 CD1 TYR A 27 -19.567 -7.897 -8.501 1.00 0.00 C ATOM 56 CD2 TYR A 27 -19.041 -6.151 -10.038 1.00 0.00 C ATOM 57 CE1 TYR A 27 -20.909 -7.588 -8.608 1.00 0.00 C ATOM 58 CE2 TYR A 27 -20.383 -5.838 -10.147 1.00 0.00 C ATOM 59 CZ TYR A 27 -21.311 -6.560 -9.432 1.00 0.00 C ATOM 60 OH TYR A 27 -22.647 -6.248 -9.537 1.00 0.00 O ATOM 0 H TYR A 27 -17.874 -8.371 -6.907 1.00 0.00 H new ATOM 0 HA TYR A 27 -15.421 -7.348 -7.803 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -16.603 -7.053 -9.927 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -17.012 -8.598 -9.207 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -19.257 -8.705 -7.855 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -18.316 -5.584 -10.603 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -21.641 -8.151 -8.047 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -20.702 -5.031 -10.790 1.00 0.00 H new ATOM 0 HH TYR A 27 -22.760 -5.498 -10.158 1.00 0.00 H new ATOM 70 N LEU A 28 -17.658 -5.092 -7.031 1.00 0.00 N ATOM 71 CA LEU A 28 -17.846 -3.668 -6.794 1.00 0.00 C ATOM 72 C LEU A 28 -16.836 -3.164 -5.775 1.00 0.00 C ATOM 73 O LEU A 28 -16.214 -2.119 -5.973 1.00 0.00 O ATOM 74 CB LEU A 28 -19.270 -3.379 -6.311 1.00 0.00 C ATOM 75 CG LEU A 28 -20.372 -3.632 -7.342 1.00 0.00 C ATOM 76 CD1 LEU A 28 -21.744 -3.555 -6.691 1.00 0.00 C ATOM 77 CD2 LEU A 28 -20.274 -2.625 -8.479 1.00 0.00 C ATOM 0 H LEU A 28 -18.426 -5.678 -6.705 1.00 0.00 H new ATOM 0 HA LEU A 28 -17.689 -3.143 -7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -19.470 -3.992 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -19.324 -2.338 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 28 -20.237 -4.635 -7.747 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -22.513 -3.738 -7.441 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -21.817 -4.307 -5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -21.887 -2.565 -6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -21.064 -2.817 -9.205 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -20.384 -1.616 -8.082 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -19.303 -2.719 -8.966 1.00 0.00 H new ATOM 89 N ARG A 29 -16.662 -3.919 -4.697 1.00 0.00 N ATOM 90 CA ARG A 29 -15.684 -3.572 -3.678 1.00 0.00 C ATOM 91 C ARG A 29 -14.275 -3.646 -4.252 1.00 0.00 C ATOM 92 O ARG A 29 -13.417 -2.834 -3.914 1.00 0.00 O ATOM 93 CB ARG A 29 -15.814 -4.490 -2.457 1.00 0.00 C ATOM 94 CG ARG A 29 -14.766 -4.227 -1.386 1.00 0.00 C ATOM 95 CD ARG A 29 -15.120 -4.884 -0.059 1.00 0.00 C ATOM 96 NE ARG A 29 -15.070 -6.348 -0.113 1.00 0.00 N ATOM 97 CZ ARG A 29 -15.604 -7.143 0.821 1.00 0.00 C ATOM 98 NH1 ARG A 29 -16.325 -6.617 1.806 1.00 0.00 N ATOM 99 NH2 ARG A 29 -15.442 -8.462 0.757 1.00 0.00 N ATOM 0 H ARG A 29 -17.185 -4.774 -4.508 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.878 -2.550 -3.354 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.806 -4.365 -2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.737 -5.527 -2.782 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -13.800 -4.599 -1.727 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -14.660 -3.152 -1.240 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.433 -4.531 0.710 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.120 -4.571 0.240 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.602 -6.785 -0.907 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -16.471 -5.608 1.849 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -16.733 -7.222 2.519 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.908 -8.874 -0.008 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -15.852 -9.062 1.473 1.00 0.00 H new ATOM 113 N LYS A 30 -14.049 -4.616 -5.132 1.00 0.00 N ATOM 114 CA LYS A 30 -12.762 -4.746 -5.804 1.00 0.00 C ATOM 115 C LYS A 30 -12.433 -3.469 -6.570 1.00 0.00 C ATOM 116 O LYS A 30 -11.343 -2.913 -6.425 1.00 0.00 O ATOM 117 CB LYS A 30 -12.760 -5.941 -6.766 1.00 0.00 C ATOM 118 CG LYS A 30 -12.743 -7.306 -6.086 1.00 0.00 C ATOM 119 CD LYS A 30 -11.455 -7.529 -5.308 1.00 0.00 C ATOM 120 CE LYS A 30 -11.359 -8.954 -4.775 1.00 0.00 C ATOM 121 NZ LYS A 30 -11.231 -9.959 -5.867 1.00 0.00 N ATOM 0 H LYS A 30 -14.738 -5.321 -5.395 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.002 -4.914 -5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.642 -5.879 -7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -11.890 -5.864 -7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.595 -7.387 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.855 -8.088 -6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.600 -7.323 -5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.405 -6.825 -4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.500 -9.033 -4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.245 -9.178 -4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.050 -10.897 -5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.112 -9.987 -6.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.441 -9.696 -6.490 1.00 0.00 H new ATOM 135 N ALA A 31 -13.377 -2.997 -7.381 1.00 0.00 N ATOM 136 CA ALA A 31 -13.206 -1.745 -8.108 1.00 0.00 C ATOM 137 C ALA A 31 -13.078 -0.551 -7.172 1.00 0.00 C ATOM 138 O ALA A 31 -12.339 0.387 -7.462 1.00 0.00 O ATOM 139 CB ALA A 31 -14.368 -1.539 -9.067 1.00 0.00 C ATOM 0 H ALA A 31 -14.268 -3.464 -7.550 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.276 -1.816 -8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.233 -0.601 -9.606 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.404 -2.365 -9.778 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -15.301 -1.503 -8.505 1.00 0.00 H new ATOM 145 N ALA A 32 -13.783 -0.587 -6.050 1.00 0.00 N ATOM 146 CA ALA A 32 -13.732 0.505 -5.085 1.00 0.00 C ATOM 147 C ALA A 32 -12.321 0.656 -4.540 1.00 0.00 C ATOM 148 O ALA A 32 -11.775 1.760 -4.472 1.00 0.00 O ATOM 149 CB ALA A 32 -14.716 0.271 -3.950 1.00 0.00 C ATOM 0 H ALA A 32 -14.396 -1.358 -5.785 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.014 1.427 -5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.660 1.099 -3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.727 0.206 -4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.468 -0.660 -3.440 1.00 0.00 H new ATOM 155 N LEU A 33 -11.730 -0.471 -4.180 1.00 0.00 N ATOM 156 CA LEU A 33 -10.364 -0.500 -3.688 1.00 0.00 C ATOM 157 C LEU A 33 -9.404 -0.110 -4.804 1.00 0.00 C ATOM 158 O LEU A 33 -8.383 0.537 -4.570 1.00 0.00 O ATOM 159 CB LEU A 33 -10.035 -1.896 -3.161 1.00 0.00 C ATOM 160 CG LEU A 33 -11.008 -2.426 -2.105 1.00 0.00 C ATOM 161 CD1 LEU A 33 -10.655 -3.850 -1.719 1.00 0.00 C ATOM 162 CD2 LEU A 33 -11.024 -1.528 -0.877 1.00 0.00 C ATOM 0 H LEU A 33 -12.180 -1.385 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.257 0.215 -2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.017 -2.591 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.031 -1.882 -2.736 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.008 -2.423 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.358 -4.208 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.708 -4.490 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.644 -3.877 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.724 -1.928 -0.143 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.025 -1.488 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.335 -0.524 -1.165 1.00 0.00 H new ATOM 174 N THR A 34 -9.756 -0.496 -6.024 1.00 0.00 N ATOM 175 CA THR A 34 -8.994 -0.120 -7.200 1.00 0.00 C ATOM 176 C THR A 34 -8.988 1.395 -7.369 1.00 0.00 C ATOM 177 O THR A 34 -7.942 1.999 -7.606 1.00 0.00 O ATOM 178 CB THR A 34 -9.571 -0.781 -8.468 1.00 0.00 C ATOM 179 OG1 THR A 34 -9.472 -2.209 -8.363 1.00 0.00 O ATOM 180 CG2 THR A 34 -8.846 -0.301 -9.716 1.00 0.00 C ATOM 0 H THR A 34 -10.573 -1.074 -6.222 1.00 0.00 H new ATOM 0 HA THR A 34 -7.971 -0.470 -7.060 1.00 0.00 H new ATOM 0 HB THR A 34 -10.619 -0.495 -8.553 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.096 -2.531 -7.679 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.274 -0.784 -10.594 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.955 0.780 -9.807 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.788 -0.554 -9.642 1.00 0.00 H new ATOM 188 N ASP A 35 -10.155 2.006 -7.209 1.00 0.00 N ATOM 189 CA ASP A 35 -10.293 3.449 -7.348 1.00 0.00 C ATOM 190 C ASP A 35 -9.464 4.162 -6.300 1.00 0.00 C ATOM 191 O ASP A 35 -8.818 5.169 -6.584 1.00 0.00 O ATOM 192 CB ASP A 35 -11.757 3.885 -7.226 1.00 0.00 C ATOM 193 CG ASP A 35 -12.497 3.853 -8.548 1.00 0.00 C ATOM 194 OD1 ASP A 35 -12.443 4.857 -9.286 1.00 0.00 O ATOM 195 OD2 ASP A 35 -13.148 2.835 -8.853 1.00 0.00 O ATOM 0 H ASP A 35 -11.023 1.521 -6.982 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.934 3.719 -8.341 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.266 3.234 -6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.797 4.895 -6.818 1.00 0.00 H new ATOM 200 N MET A 36 -9.472 3.628 -5.089 1.00 0.00 N ATOM 201 CA MET A 36 -8.710 4.217 -3.996 1.00 0.00 C ATOM 202 C MET A 36 -7.216 4.102 -4.268 1.00 0.00 C ATOM 203 O MET A 36 -6.464 5.047 -4.035 1.00 0.00 O ATOM 204 CB MET A 36 -9.068 3.561 -2.661 1.00 0.00 C ATOM 205 CG MET A 36 -10.526 3.735 -2.256 1.00 0.00 C ATOM 206 SD MET A 36 -10.996 5.460 -1.979 1.00 0.00 S ATOM 207 CE MET A 36 -11.509 5.972 -3.622 1.00 0.00 C ATOM 0 H MET A 36 -9.996 2.790 -4.837 1.00 0.00 H new ATOM 0 HA MET A 36 -8.970 5.273 -3.931 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.842 2.496 -2.719 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.432 3.979 -1.880 1.00 0.00 H new ATOM 0 HG2 MET A 36 -11.164 3.313 -3.033 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.713 3.165 -1.346 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.781 6.675 -4.028 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.572 5.099 -4.272 1.00 0.00 H new ATOM 0 HE3 MET A 36 -12.485 6.453 -3.565 1.00 0.00 H new ATOM 217 N LEU A 37 -6.794 2.954 -4.786 1.00 0.00 N ATOM 218 CA LEU A 37 -5.402 2.764 -5.170 1.00 0.00 C ATOM 219 C LEU A 37 -5.026 3.732 -6.292 1.00 0.00 C ATOM 220 O LEU A 37 -3.963 4.349 -6.263 1.00 0.00 O ATOM 221 CB LEU A 37 -5.161 1.322 -5.624 1.00 0.00 C ATOM 222 CG LEU A 37 -3.733 1.011 -6.090 1.00 0.00 C ATOM 223 CD1 LEU A 37 -2.767 0.990 -4.915 1.00 0.00 C ATOM 224 CD2 LEU A 37 -3.694 -0.314 -6.831 1.00 0.00 C ATOM 0 H LEU A 37 -7.393 2.145 -4.949 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.776 2.966 -4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.411 0.653 -4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.849 1.095 -6.439 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.420 1.802 -6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.762 0.767 -5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.770 1.963 -4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.076 0.224 -4.203 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.674 -0.520 -7.155 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.032 -1.111 -6.169 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.348 -0.263 -7.702 1.00 0.00 H new ATOM 236 N GLN A 38 -5.918 3.870 -7.268 1.00 0.00 N ATOM 237 CA GLN A 38 -5.684 4.761 -8.398 1.00 0.00 C ATOM 238 C GLN A 38 -5.642 6.214 -7.948 1.00 0.00 C ATOM 239 O GLN A 38 -4.935 7.025 -8.534 1.00 0.00 O ATOM 240 CB GLN A 38 -6.761 4.582 -9.472 1.00 0.00 C ATOM 241 CG GLN A 38 -6.752 3.212 -10.138 1.00 0.00 C ATOM 242 CD GLN A 38 -5.398 2.843 -10.711 1.00 0.00 C ATOM 243 OE1 GLN A 38 -5.090 3.161 -11.856 1.00 0.00 O ATOM 244 NE2 GLN A 38 -4.589 2.149 -9.928 1.00 0.00 N ATOM 0 H GLN A 38 -6.810 3.376 -7.299 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.716 4.498 -8.826 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.740 4.749 -9.022 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -6.627 5.347 -10.237 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.050 2.458 -9.410 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.495 3.197 -10.936 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.881 1.904 -8.982 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.673 1.859 -10.270 1.00 0.00 H new ATOM 253 N THR A 39 -6.407 6.533 -6.912 1.00 0.00 N ATOM 254 CA THR A 39 -6.413 7.876 -6.347 1.00 0.00 C ATOM 255 C THR A 39 -5.154 8.115 -5.515 1.00 0.00 C ATOM 256 O THR A 39 -4.685 9.245 -5.384 1.00 0.00 O ATOM 257 CB THR A 39 -7.672 8.107 -5.483 1.00 0.00 C ATOM 258 OG1 THR A 39 -8.846 7.790 -6.248 1.00 0.00 O ATOM 259 CG2 THR A 39 -7.758 9.549 -5.003 1.00 0.00 C ATOM 0 H THR A 39 -7.033 5.877 -6.445 1.00 0.00 H new ATOM 0 HA THR A 39 -6.428 8.587 -7.173 1.00 0.00 H new ATOM 0 HB THR A 39 -7.606 7.458 -4.610 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.025 6.828 -6.189 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.655 9.678 -4.398 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.879 9.786 -4.404 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.802 10.217 -5.863 1.00 0.00 H new ATOM 267 N PHE A 40 -4.603 7.043 -4.966 1.00 0.00 N ATOM 268 CA PHE A 40 -3.359 7.130 -4.217 1.00 0.00 C ATOM 269 C PHE A 40 -2.184 7.412 -5.159 1.00 0.00 C ATOM 270 O PHE A 40 -1.228 8.090 -4.783 1.00 0.00 O ATOM 271 CB PHE A 40 -3.111 5.851 -3.412 1.00 0.00 C ATOM 272 CG PHE A 40 -1.885 5.923 -2.547 1.00 0.00 C ATOM 273 CD1 PHE A 40 -0.924 4.931 -2.607 1.00 0.00 C ATOM 274 CD2 PHE A 40 -1.683 6.997 -1.692 1.00 0.00 C ATOM 275 CE1 PHE A 40 0.215 5.003 -1.831 1.00 0.00 C ATOM 276 CE2 PHE A 40 -0.547 7.074 -0.911 1.00 0.00 C ATOM 277 CZ PHE A 40 0.404 6.076 -0.981 1.00 0.00 C ATOM 0 H PHE A 40 -4.997 6.104 -5.025 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.445 7.958 -3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.979 5.651 -2.784 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.014 5.010 -4.099 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.066 4.090 -3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -2.423 7.782 -1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.958 4.221 -1.888 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.403 7.913 -0.247 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.294 6.134 -0.372 1.00 0.00 H new ATOM 287 N VAL A 41 -2.259 6.868 -6.373 1.00 0.00 N ATOM 288 CA VAL A 41 -1.209 7.047 -7.381 1.00 0.00 C ATOM 289 C VAL A 41 -0.762 8.519 -7.527 1.00 0.00 C ATOM 290 O VAL A 41 0.435 8.795 -7.456 1.00 0.00 O ATOM 291 CB VAL A 41 -1.636 6.476 -8.754 1.00 0.00 C ATOM 292 CG1 VAL A 41 -0.612 6.812 -9.826 1.00 0.00 C ATOM 293 CG2 VAL A 41 -1.827 4.971 -8.661 1.00 0.00 C ATOM 0 H VAL A 41 -3.042 6.295 -6.686 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.349 6.482 -7.021 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.584 6.936 -9.034 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.936 6.399 -10.781 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.517 7.894 -9.912 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.353 6.384 -9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.127 4.582 -9.634 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.891 4.504 -8.356 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.600 4.747 -7.926 1.00 0.00 H new ATOM 303 N PRO A 42 -1.690 9.487 -7.724 1.00 0.00 N ATOM 304 CA PRO A 42 -1.332 10.908 -7.787 1.00 0.00 C ATOM 305 C PRO A 42 -0.596 11.386 -6.541 1.00 0.00 C ATOM 306 O PRO A 42 0.241 12.289 -6.618 1.00 0.00 O ATOM 307 CB PRO A 42 -2.675 11.629 -7.912 1.00 0.00 C ATOM 308 CG PRO A 42 -3.598 10.614 -8.478 1.00 0.00 C ATOM 309 CD PRO A 42 -3.134 9.290 -7.942 1.00 0.00 C ATOM 0 HA PRO A 42 -0.652 11.104 -8.616 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.025 11.985 -6.943 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -2.597 12.500 -8.563 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.628 10.815 -8.183 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.570 10.626 -9.568 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.647 9.031 -7.016 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.326 8.483 -8.649 1.00 0.00 H new ATOM 317 N TYR A 43 -0.903 10.794 -5.387 1.00 0.00 N ATOM 318 CA TYR A 43 -0.226 11.156 -4.147 1.00 0.00 C ATOM 319 C TYR A 43 1.185 10.586 -4.129 1.00 0.00 C ATOM 320 O TYR A 43 2.096 11.174 -3.548 1.00 0.00 O ATOM 321 CB TYR A 43 -1.009 10.659 -2.924 1.00 0.00 C ATOM 322 CG TYR A 43 -2.312 11.395 -2.696 1.00 0.00 C ATOM 323 CD1 TYR A 43 -2.421 12.360 -1.702 1.00 0.00 C ATOM 324 CD2 TYR A 43 -3.430 11.134 -3.478 1.00 0.00 C ATOM 325 CE1 TYR A 43 -3.605 13.042 -1.497 1.00 0.00 C ATOM 326 CE2 TYR A 43 -4.615 11.810 -3.278 1.00 0.00 C ATOM 327 CZ TYR A 43 -4.699 12.762 -2.287 1.00 0.00 C ATOM 328 OH TYR A 43 -5.877 13.446 -2.095 1.00 0.00 O ATOM 0 H TYR A 43 -1.611 10.067 -5.287 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.172 12.244 -4.099 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.219 9.596 -3.045 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.384 10.762 -2.037 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.566 12.580 -1.080 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.370 10.388 -4.257 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.673 13.791 -0.722 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -5.474 11.594 -3.896 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.548 13.129 -2.735 1.00 0.00 H new ATOM 338 N ARG A 44 1.359 9.433 -4.771 1.00 0.00 N ATOM 339 CA ARG A 44 2.666 8.798 -4.860 1.00 0.00 C ATOM 340 C ARG A 44 3.644 9.708 -5.578 1.00 0.00 C ATOM 341 O ARG A 44 4.824 9.729 -5.256 1.00 0.00 O ATOM 342 CB ARG A 44 2.595 7.456 -5.586 1.00 0.00 C ATOM 343 CG ARG A 44 1.676 6.446 -4.926 1.00 0.00 C ATOM 344 CD ARG A 44 1.814 5.070 -5.570 1.00 0.00 C ATOM 345 NE ARG A 44 1.785 5.143 -7.030 1.00 0.00 N ATOM 346 CZ ARG A 44 1.636 4.089 -7.833 1.00 0.00 C ATOM 347 NH1 ARG A 44 1.463 2.878 -7.322 1.00 0.00 N ATOM 348 NH2 ARG A 44 1.666 4.251 -9.149 1.00 0.00 N ATOM 0 H ARG A 44 0.609 8.921 -5.236 1.00 0.00 H new ATOM 0 HA ARG A 44 3.010 8.617 -3.841 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.258 7.625 -6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.598 7.034 -5.647 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.910 6.378 -3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.643 6.785 -5.004 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.749 4.611 -5.248 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.007 4.425 -5.223 1.00 0.00 H new ATOM 0 HE ARG A 44 1.885 6.061 -7.463 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.443 2.749 -6.310 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.349 2.075 -7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.803 5.181 -9.545 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.552 3.446 -9.765 1.00 0.00 H new ATOM 362 N THR A 45 3.148 10.439 -6.569 1.00 0.00 N ATOM 363 CA THR A 45 3.935 11.480 -7.214 1.00 0.00 C ATOM 364 C THR A 45 4.537 12.437 -6.182 1.00 0.00 C ATOM 365 O THR A 45 5.724 12.739 -6.233 1.00 0.00 O ATOM 366 CB THR A 45 3.057 12.280 -8.192 1.00 0.00 C ATOM 367 OG1 THR A 45 2.241 11.383 -8.958 1.00 0.00 O ATOM 368 CG2 THR A 45 3.906 13.121 -9.131 1.00 0.00 C ATOM 0 H THR A 45 2.205 10.329 -6.942 1.00 0.00 H new ATOM 0 HA THR A 45 4.746 10.995 -7.758 1.00 0.00 H new ATOM 0 HB THR A 45 2.424 12.949 -7.609 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.683 11.897 -9.578 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.258 13.675 -9.810 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.506 13.821 -8.550 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.564 12.471 -9.707 1.00 0.00 H new ATOM 376 N ALA A 46 3.727 12.874 -5.225 1.00 0.00 N ATOM 377 CA ALA A 46 4.205 13.751 -4.158 1.00 0.00 C ATOM 378 C ALA A 46 5.253 13.031 -3.317 1.00 0.00 C ATOM 379 O ALA A 46 6.208 13.634 -2.819 1.00 0.00 O ATOM 380 CB ALA A 46 3.044 14.207 -3.287 1.00 0.00 C ATOM 0 H ALA A 46 2.737 12.637 -5.164 1.00 0.00 H new ATOM 0 HA ALA A 46 4.664 14.632 -4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.416 14.859 -2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.323 14.751 -3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.560 13.338 -2.842 1.00 0.00 H new ATOM 386 N VAL A 47 5.068 11.724 -3.189 1.00 0.00 N ATOM 387 CA VAL A 47 6.008 10.875 -2.467 1.00 0.00 C ATOM 388 C VAL A 47 7.333 10.800 -3.222 1.00 0.00 C ATOM 389 O VAL A 47 8.402 10.966 -2.634 1.00 0.00 O ATOM 390 CB VAL A 47 5.452 9.448 -2.254 1.00 0.00 C ATOM 391 CG1 VAL A 47 6.475 8.563 -1.549 1.00 0.00 C ATOM 392 CG2 VAL A 47 4.151 9.491 -1.465 1.00 0.00 C ATOM 0 H VAL A 47 4.269 11.225 -3.579 1.00 0.00 H new ATOM 0 HA VAL A 47 6.165 11.324 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 47 5.248 9.017 -3.234 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.059 7.565 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.379 8.499 -2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.719 8.992 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.776 8.477 -1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.331 9.948 -0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.413 10.079 -2.011 1.00 0.00 H new ATOM 402 N GLU A 48 7.255 10.570 -4.532 1.00 0.00 N ATOM 403 CA GLU A 48 8.447 10.505 -5.371 1.00 0.00 C ATOM 404 C GLU A 48 9.135 11.866 -5.428 1.00 0.00 C ATOM 405 O GLU A 48 10.358 11.948 -5.434 1.00 0.00 O ATOM 406 CB GLU A 48 8.112 10.033 -6.792 1.00 0.00 C ATOM 407 CG GLU A 48 7.493 8.645 -6.857 1.00 0.00 C ATOM 408 CD GLU A 48 7.441 8.098 -8.272 1.00 0.00 C ATOM 409 OE1 GLU A 48 8.446 7.504 -8.719 1.00 0.00 O ATOM 410 OE2 GLU A 48 6.403 8.261 -8.945 1.00 0.00 O ATOM 0 H GLU A 48 6.379 10.426 -5.033 1.00 0.00 H new ATOM 0 HA GLU A 48 9.123 9.778 -4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.426 10.747 -7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.023 10.041 -7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.068 7.965 -6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.484 8.681 -6.447 1.00 0.00 H new ATOM 417 N LEU A 49 8.339 12.928 -5.459 1.00 0.00 N ATOM 418 CA LEU A 49 8.871 14.287 -5.431 1.00 0.00 C ATOM 419 C LEU A 49 9.709 14.485 -4.180 1.00 0.00 C ATOM 420 O LEU A 49 10.801 15.049 -4.230 1.00 0.00 O ATOM 421 CB LEU A 49 7.732 15.312 -5.464 1.00 0.00 C ATOM 422 CG LEU A 49 7.428 15.933 -6.833 1.00 0.00 C ATOM 423 CD1 LEU A 49 8.576 16.819 -7.285 1.00 0.00 C ATOM 424 CD2 LEU A 49 7.148 14.859 -7.874 1.00 0.00 C ATOM 0 H LEU A 49 7.321 12.875 -5.504 1.00 0.00 H new ATOM 0 HA LEU A 49 9.496 14.435 -6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.826 14.831 -5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.972 16.115 -4.768 1.00 0.00 H new ATOM 0 HG LEU A 49 6.533 16.546 -6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.341 17.250 -8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.725 17.619 -6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.486 16.224 -7.362 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.936 15.329 -8.834 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.019 14.211 -7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.288 14.266 -7.563 1.00 0.00 H new ATOM 436 N CYS A 50 9.196 13.997 -3.065 1.00 0.00 N ATOM 437 CA CYS A 50 9.917 14.049 -1.809 1.00 0.00 C ATOM 438 C CYS A 50 11.175 13.180 -1.868 1.00 0.00 C ATOM 439 O CYS A 50 12.289 13.681 -1.717 1.00 0.00 O ATOM 440 CB CYS A 50 9.003 13.604 -0.666 1.00 0.00 C ATOM 441 SG CYS A 50 9.868 13.260 0.898 1.00 0.00 S ATOM 0 H CYS A 50 8.277 13.558 -3.005 1.00 0.00 H new ATOM 0 HA CYS A 50 10.231 15.077 -1.627 1.00 0.00 H new ATOM 0 HB2 CYS A 50 8.256 14.379 -0.491 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.466 12.707 -0.975 1.00 0.00 H new ATOM 446 N ALA A 51 10.989 11.885 -2.111 1.00 0.00 N ATOM 447 CA ALA A 51 12.094 10.924 -2.123 1.00 0.00 C ATOM 448 C ALA A 51 13.209 11.309 -3.097 1.00 0.00 C ATOM 449 O ALA A 51 14.387 11.100 -2.810 1.00 0.00 O ATOM 450 CB ALA A 51 11.571 9.530 -2.450 1.00 0.00 C ATOM 0 H ALA A 51 10.076 11.472 -2.304 1.00 0.00 H new ATOM 0 HA ALA A 51 12.531 10.932 -1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.400 8.823 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.843 9.229 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.095 9.541 -3.431 1.00 0.00 H new ATOM 456 N LEU A 52 12.848 11.864 -4.245 1.00 0.00 N ATOM 457 CA LEU A 52 13.834 12.209 -5.264 1.00 0.00 C ATOM 458 C LEU A 52 14.511 13.544 -4.977 1.00 0.00 C ATOM 459 O LEU A 52 15.738 13.639 -4.999 1.00 0.00 O ATOM 460 CB LEU A 52 13.196 12.233 -6.662 1.00 0.00 C ATOM 461 CG LEU A 52 13.169 10.891 -7.411 1.00 0.00 C ATOM 462 CD1 LEU A 52 14.582 10.404 -7.705 1.00 0.00 C ATOM 463 CD2 LEU A 52 12.404 9.837 -6.625 1.00 0.00 C ATOM 0 H LEU A 52 11.884 12.085 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 52 14.599 11.433 -5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.172 12.594 -6.567 1.00 0.00 H new ATOM 0 HB3 LEU A 52 13.734 12.957 -7.273 1.00 0.00 H new ATOM 0 HG LEU A 52 12.653 11.054 -8.357 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.536 9.453 -8.235 1.00 0.00 H new ATOM 0 HD12 LEU A 52 15.099 11.139 -8.322 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.123 10.271 -6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 52 12.402 8.899 -7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 52 12.883 9.685 -5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.377 10.170 -6.473 1.00 0.00 H new ATOM 475 N GLU A 53 13.719 14.575 -4.701 1.00 0.00 N ATOM 476 CA GLU A 53 14.263 15.918 -4.505 1.00 0.00 C ATOM 477 C GLU A 53 14.948 16.038 -3.146 1.00 0.00 C ATOM 478 O GLU A 53 16.018 16.640 -3.026 1.00 0.00 O ATOM 479 CB GLU A 53 13.155 16.968 -4.634 1.00 0.00 C ATOM 480 CG GLU A 53 13.638 18.402 -4.475 1.00 0.00 C ATOM 481 CD GLU A 53 12.517 19.410 -4.599 1.00 0.00 C ATOM 482 OE1 GLU A 53 12.192 19.807 -5.738 1.00 0.00 O ATOM 483 OE2 GLU A 53 11.954 19.816 -3.561 1.00 0.00 O ATOM 0 H GLU A 53 12.705 14.510 -4.608 1.00 0.00 H new ATOM 0 HA GLU A 53 15.009 16.096 -5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.680 16.862 -5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.390 16.768 -3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.117 18.514 -3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.396 18.612 -5.230 1.00 0.00 H new ATOM 490 N HIS A 54 14.334 15.446 -2.132 1.00 0.00 N ATOM 491 CA HIS A 54 14.860 15.523 -0.775 1.00 0.00 C ATOM 492 C HIS A 54 15.830 14.379 -0.512 1.00 0.00 C ATOM 493 O HIS A 54 16.486 14.338 0.529 1.00 0.00 O ATOM 494 CB HIS A 54 13.729 15.493 0.263 1.00 0.00 C ATOM 495 CG HIS A 54 12.815 16.683 0.223 1.00 0.00 C ATOM 496 ND1 HIS A 54 12.725 17.597 1.252 1.00 0.00 N ATOM 497 CD2 HIS A 54 11.929 17.094 -0.716 1.00 0.00 C ATOM 498 CE1 HIS A 54 11.825 18.515 0.946 1.00 0.00 C ATOM 499 NE2 HIS A 54 11.327 18.232 -0.242 1.00 0.00 N ATOM 0 H HIS A 54 13.472 14.908 -2.222 1.00 0.00 H new ATOM 0 HA HIS A 54 15.390 16.471 -0.680 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.137 14.591 0.110 1.00 0.00 H new ATOM 0 HB3 HIS A 54 14.168 15.421 1.258 1.00 0.00 H new ATOM 0 HD2 HIS A 54 11.733 16.614 -1.663 1.00 0.00 H new ATOM 0 HE1 HIS A 54 11.545 19.355 1.564 1.00 0.00 H new ATOM 0 HE2 HIS A 54 10.611 18.771 -0.729 1.00 0.00 H new ATOM 508 N GLY A 55 15.920 13.458 -1.477 1.00 0.00 N ATOM 509 CA GLY A 55 16.803 12.303 -1.361 1.00 0.00 C ATOM 510 C GLY A 55 16.568 11.486 -0.103 1.00 0.00 C ATOM 511 O GLY A 55 17.450 10.751 0.341 1.00 0.00 O ATOM 0 H GLY A 55 15.389 13.494 -2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.666 11.662 -2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 55 17.838 12.644 -1.375 1.00 0.00 H new ATOM 515 N GLY A 56 15.377 11.599 0.465 1.00 0.00 N ATOM 516 CA GLY A 56 15.131 10.969 1.738 1.00 0.00 C ATOM 517 C GLY A 56 13.750 10.357 1.797 1.00 0.00 C ATOM 518 O GLY A 56 12.805 10.944 1.278 1.00 0.00 O ATOM 0 H GLY A 56 14.587 12.110 0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.880 10.197 1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.238 11.704 2.536 1.00 0.00 H new ATOM 522 N LEU A 57 13.618 9.190 2.404 1.00 0.00 N ATOM 523 CA LEU A 57 12.308 8.706 2.817 1.00 0.00 C ATOM 524 C LEU A 57 11.903 9.418 4.096 1.00 0.00 C ATOM 525 O LEU A 57 10.729 9.694 4.336 1.00 0.00 O ATOM 526 CB LEU A 57 12.304 7.186 3.021 1.00 0.00 C ATOM 527 CG LEU A 57 12.536 6.354 1.756 1.00 0.00 C ATOM 528 CD1 LEU A 57 12.606 4.874 2.099 1.00 0.00 C ATOM 529 CD2 LEU A 57 11.437 6.605 0.730 1.00 0.00 C ATOM 0 H LEU A 57 14.393 8.563 2.621 1.00 0.00 H new ATOM 0 HA LEU A 57 11.588 8.923 2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.074 6.932 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.347 6.897 3.455 1.00 0.00 H new ATOM 0 HG LEU A 57 13.487 6.659 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.771 4.297 1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.428 4.700 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.669 4.563 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.625 6.003 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.472 6.332 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.428 7.660 0.458 1.00 0.00 H new ATOM 541 N ASP A 58 12.915 9.728 4.903 1.00 0.00 N ATOM 542 CA ASP A 58 12.729 10.346 6.212 1.00 0.00 C ATOM 543 C ASP A 58 12.018 11.683 6.114 1.00 0.00 C ATOM 544 O ASP A 58 11.321 12.093 7.040 1.00 0.00 O ATOM 545 CB ASP A 58 14.076 10.541 6.909 1.00 0.00 C ATOM 546 CG ASP A 58 14.671 9.243 7.413 1.00 0.00 C ATOM 547 OD1 ASP A 58 14.451 8.908 8.598 1.00 0.00 O ATOM 548 OD2 ASP A 58 15.359 8.550 6.634 1.00 0.00 O ATOM 0 H ASP A 58 13.892 9.556 4.665 1.00 0.00 H new ATOM 0 HA ASP A 58 12.105 9.670 6.796 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.774 11.010 6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.950 11.227 7.747 1.00 0.00 H new ATOM 553 N THR A 59 12.198 12.364 4.999 1.00 0.00 N ATOM 554 CA THR A 59 11.594 13.664 4.796 1.00 0.00 C ATOM 555 C THR A 59 10.144 13.537 4.345 1.00 0.00 C ATOM 556 O THR A 59 9.393 14.510 4.340 1.00 0.00 O ATOM 557 CB THR A 59 12.389 14.460 3.747 1.00 0.00 C ATOM 558 OG1 THR A 59 12.623 13.644 2.591 1.00 0.00 O ATOM 559 CG2 THR A 59 13.722 14.923 4.312 1.00 0.00 C ATOM 0 H THR A 59 12.762 12.035 4.216 1.00 0.00 H new ATOM 0 HA THR A 59 11.614 14.192 5.749 1.00 0.00 H new ATOM 0 HB THR A 59 11.803 15.336 3.470 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.794 13.562 2.075 1.00 0.00 H new ATOM 0 HG21 THR A 59 14.265 15.483 3.551 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.548 15.562 5.178 1.00 0.00 H new ATOM 0 HG23 THR A 59 14.310 14.056 4.613 1.00 0.00 H new ATOM 567 N CYS A 60 9.743 12.327 3.994 1.00 0.00 N ATOM 568 CA CYS A 60 8.434 12.112 3.408 1.00 0.00 C ATOM 569 C CYS A 60 7.396 11.818 4.487 1.00 0.00 C ATOM 570 O CYS A 60 6.819 10.732 4.541 1.00 0.00 O ATOM 571 CB CYS A 60 8.498 10.978 2.388 1.00 0.00 C ATOM 572 SG CYS A 60 9.734 11.239 1.072 1.00 0.00 S ATOM 0 H CYS A 60 10.304 11.482 4.105 1.00 0.00 H new ATOM 0 HA CYS A 60 8.128 13.024 2.895 1.00 0.00 H new ATOM 0 HB2 CYS A 60 8.725 10.047 2.908 1.00 0.00 H new ATOM 0 HB3 CYS A 60 7.516 10.857 1.932 1.00 0.00 H new ATOM 577 N ASP A 61 7.188 12.792 5.357 1.00 0.00 N ATOM 578 CA ASP A 61 6.174 12.695 6.401 1.00 0.00 C ATOM 579 C ASP A 61 4.913 13.437 5.984 1.00 0.00 C ATOM 580 O ASP A 61 4.985 14.521 5.399 1.00 0.00 O ATOM 581 CB ASP A 61 6.707 13.276 7.712 1.00 0.00 C ATOM 582 CG ASP A 61 5.635 13.404 8.780 1.00 0.00 C ATOM 583 OD1 ASP A 61 5.225 12.376 9.350 1.00 0.00 O ATOM 584 OD2 ASP A 61 5.212 14.546 9.070 1.00 0.00 O ATOM 0 H ASP A 61 7.711 13.667 5.363 1.00 0.00 H new ATOM 0 HA ASP A 61 5.932 11.643 6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.511 12.641 8.085 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.140 14.258 7.519 1.00 0.00 H new ATOM 589 N GLY A 62 3.764 12.853 6.285 1.00 0.00 N ATOM 590 CA GLY A 62 2.504 13.459 5.907 1.00 0.00 C ATOM 591 C GLY A 62 2.166 14.637 6.789 1.00 0.00 C ATOM 592 O GLY A 62 1.585 14.469 7.863 1.00 0.00 O ATOM 0 H GLY A 62 3.681 11.968 6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.554 13.784 4.868 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.709 12.716 5.971 1.00 0.00 H new ATOM 596 N GLY A 63 2.527 15.826 6.340 1.00 0.00 N ATOM 597 CA GLY A 63 2.313 17.015 7.131 1.00 0.00 C ATOM 598 C GLY A 63 3.587 17.814 7.322 1.00 0.00 C ATOM 599 O GLY A 63 3.576 18.859 7.973 1.00 0.00 O ATOM 0 H GLY A 63 2.968 15.989 5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.563 17.641 6.647 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.913 16.734 8.105 1.00 0.00 H new ATOM 603 N SER A 64 4.686 17.323 6.755 1.00 0.00 N ATOM 604 CA SER A 64 5.971 17.991 6.872 1.00 0.00 C ATOM 605 C SER A 64 6.682 18.011 5.517 1.00 0.00 C ATOM 606 O SER A 64 6.250 17.333 4.583 1.00 0.00 O ATOM 607 CB SER A 64 6.836 17.274 7.914 1.00 0.00 C ATOM 608 OG SER A 64 6.106 17.032 9.106 1.00 0.00 O ATOM 0 H SER A 64 4.708 16.462 6.209 1.00 0.00 H new ATOM 0 HA SER A 64 5.808 19.020 7.194 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.194 16.329 7.505 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.715 17.878 8.139 1.00 0.00 H new ATOM 0 HG SER A 64 5.974 16.067 9.219 1.00 0.00 H new ATOM 614 N ASN A 65 7.760 18.793 5.416 1.00 0.00 N ATOM 615 CA ASN A 65 8.555 18.895 4.182 1.00 0.00 C ATOM 616 C ASN A 65 7.707 19.283 2.974 1.00 0.00 C ATOM 617 O ASN A 65 7.964 18.835 1.856 1.00 0.00 O ATOM 618 CB ASN A 65 9.296 17.584 3.889 1.00 0.00 C ATOM 619 CG ASN A 65 10.587 17.443 4.680 1.00 0.00 C ATOM 620 OD1 ASN A 65 11.657 17.845 4.215 1.00 0.00 O ATOM 621 ND2 ASN A 65 10.510 16.860 5.868 1.00 0.00 N ATOM 0 H ASN A 65 8.108 19.372 6.181 1.00 0.00 H new ATOM 0 HA ASN A 65 9.282 19.689 4.353 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.641 16.743 4.119 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.521 17.530 2.824 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.352 16.732 6.429 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.608 16.540 6.221 1.00 0.00 H new ATOM 628 N GLY A 66 6.696 20.110 3.197 1.00 0.00 N ATOM 629 CA GLY A 66 5.856 20.562 2.106 1.00 0.00 C ATOM 630 C GLY A 66 4.741 19.588 1.776 1.00 0.00 C ATOM 631 O GLY A 66 3.802 19.934 1.056 1.00 0.00 O ATOM 0 H GLY A 66 6.442 20.477 4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.423 21.528 2.364 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.472 20.715 1.220 1.00 0.00 H new ATOM 635 N ILE A 67 4.832 18.376 2.305 1.00 0.00 N ATOM 636 CA ILE A 67 3.821 17.365 2.067 1.00 0.00 C ATOM 637 C ILE A 67 2.611 17.637 2.952 1.00 0.00 C ATOM 638 O ILE A 67 2.744 17.718 4.170 1.00 0.00 O ATOM 639 CB ILE A 67 4.359 15.945 2.354 1.00 0.00 C ATOM 640 CG1 ILE A 67 5.578 15.651 1.477 1.00 0.00 C ATOM 641 CG2 ILE A 67 3.273 14.901 2.118 1.00 0.00 C ATOM 642 CD1 ILE A 67 6.149 14.267 1.689 1.00 0.00 C ATOM 0 H ILE A 67 5.600 18.072 2.903 1.00 0.00 H new ATOM 0 HA ILE A 67 3.537 17.413 1.016 1.00 0.00 H new ATOM 0 HB ILE A 67 4.661 15.897 3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.299 15.765 0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.352 16.391 1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.672 13.908 2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.429 15.098 2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.941 14.949 1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.010 14.125 1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.459 14.156 2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.390 13.521 1.455 1.00 0.00 H new ATOM 654 N PRO A 68 1.422 17.811 2.358 1.00 0.00 N ATOM 655 CA PRO A 68 0.213 18.116 3.119 1.00 0.00 C ATOM 656 C PRO A 68 -0.241 16.935 3.969 1.00 0.00 C ATOM 657 O PRO A 68 -0.087 15.776 3.577 1.00 0.00 O ATOM 658 CB PRO A 68 -0.840 18.421 2.045 1.00 0.00 C ATOM 659 CG PRO A 68 -0.086 18.560 0.765 1.00 0.00 C ATOM 660 CD PRO A 68 1.153 17.726 0.916 1.00 0.00 C ATOM 0 HA PRO A 68 0.377 18.939 3.814 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.576 17.620 1.980 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.384 19.336 2.280 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.685 18.218 -0.079 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.168 19.603 0.574 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.991 16.697 0.594 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.981 18.119 0.325 1.00 0.00 H new ATOM 668 N SER A 69 -0.756 17.253 5.152 1.00 0.00 N ATOM 669 CA SER A 69 -1.371 16.273 6.035 1.00 0.00 C ATOM 670 C SER A 69 -2.326 15.368 5.260 1.00 0.00 C ATOM 671 O SER A 69 -3.200 15.852 4.537 1.00 0.00 O ATOM 672 CB SER A 69 -2.116 16.998 7.151 1.00 0.00 C ATOM 673 OG SER A 69 -1.252 17.894 7.832 1.00 0.00 O ATOM 0 H SER A 69 -0.758 18.202 5.525 1.00 0.00 H new ATOM 0 HA SER A 69 -0.591 15.646 6.467 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.961 17.546 6.734 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.523 16.272 7.855 1.00 0.00 H new ATOM 0 HG SER A 69 -1.749 18.351 8.543 1.00 0.00 H new ATOM 679 N PRO A 70 -2.160 14.041 5.408 1.00 0.00 N ATOM 680 CA PRO A 70 -2.904 13.047 4.630 1.00 0.00 C ATOM 681 C PRO A 70 -4.409 13.200 4.776 1.00 0.00 C ATOM 682 O PRO A 70 -4.946 13.207 5.888 1.00 0.00 O ATOM 683 CB PRO A 70 -2.442 11.702 5.204 1.00 0.00 C ATOM 684 CG PRO A 70 -1.826 12.030 6.518 1.00 0.00 C ATOM 685 CD PRO A 70 -1.246 13.406 6.366 1.00 0.00 C ATOM 0 HA PRO A 70 -2.711 13.151 3.562 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.280 11.016 5.322 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.724 11.217 4.542 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.569 12.005 7.315 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.053 11.307 6.779 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.220 13.941 7.315 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.224 13.375 5.990 1.00 0.00 H new ATOM 693 N THR A 71 -5.082 13.317 3.649 1.00 0.00 N ATOM 694 CA THR A 71 -6.518 13.501 3.630 1.00 0.00 C ATOM 695 C THR A 71 -7.209 12.154 3.435 1.00 0.00 C ATOM 696 O THR A 71 -6.563 11.160 3.106 1.00 0.00 O ATOM 697 CB THR A 71 -6.942 14.488 2.514 1.00 0.00 C ATOM 698 OG1 THR A 71 -8.335 14.805 2.626 1.00 0.00 O ATOM 699 CG2 THR A 71 -6.660 13.912 1.131 1.00 0.00 C ATOM 0 H THR A 71 -4.651 13.287 2.725 1.00 0.00 H new ATOM 0 HA THR A 71 -6.822 13.927 4.586 1.00 0.00 H new ATOM 0 HB THR A 71 -6.354 15.397 2.638 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.586 15.431 1.915 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.968 14.628 0.369 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.593 13.712 1.031 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.217 12.984 1.003 1.00 0.00 H new ATOM 707 N THR A 72 -8.512 12.124 3.636 1.00 0.00 N ATOM 708 CA THR A 72 -9.263 10.893 3.511 1.00 0.00 C ATOM 709 C THR A 72 -10.429 11.073 2.554 1.00 0.00 C ATOM 710 O THR A 72 -11.234 11.997 2.699 1.00 0.00 O ATOM 711 CB THR A 72 -9.788 10.407 4.877 1.00 0.00 C ATOM 712 OG1 THR A 72 -10.481 11.467 5.551 1.00 0.00 O ATOM 713 CG2 THR A 72 -8.650 9.907 5.748 1.00 0.00 C ATOM 0 H THR A 72 -9.072 12.939 3.887 1.00 0.00 H new ATOM 0 HA THR A 72 -8.583 10.138 3.116 1.00 0.00 H new ATOM 0 HB THR A 72 -10.479 9.583 4.698 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.976 12.002 4.896 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.046 9.570 6.706 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.148 9.077 5.250 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.937 10.715 5.914 1.00 0.00 H new ATOM 721 N THR A 73 -10.497 10.202 1.562 1.00 0.00 N ATOM 722 CA THR A 73 -11.588 10.199 0.611 1.00 0.00 C ATOM 723 C THR A 73 -12.855 9.653 1.262 1.00 0.00 C ATOM 724 O THR A 73 -12.835 9.276 2.436 1.00 0.00 O ATOM 725 CB THR A 73 -11.239 9.349 -0.625 1.00 0.00 C ATOM 726 OG1 THR A 73 -11.076 7.979 -0.238 1.00 0.00 O ATOM 727 CG2 THR A 73 -9.960 9.843 -1.287 1.00 0.00 C ATOM 0 H THR A 73 -9.797 9.479 1.396 1.00 0.00 H new ATOM 0 HA THR A 73 -11.758 11.227 0.292 1.00 0.00 H new ATOM 0 HB THR A 73 -12.056 9.439 -1.341 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.285 7.397 -0.998 1.00 0.00 H new ATOM 0 HG21 THR A 73 -9.738 9.224 -2.157 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.090 10.878 -1.602 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.135 9.780 -0.577 1.00 0.00 H new ATOM 735 N ARG A 74 -13.954 9.630 0.523 1.00 0.00 N ATOM 736 CA ARG A 74 -15.208 9.099 1.045 1.00 0.00 C ATOM 737 C ARG A 74 -15.031 7.667 1.551 1.00 0.00 C ATOM 738 O ARG A 74 -15.617 7.282 2.565 1.00 0.00 O ATOM 739 CB ARG A 74 -16.291 9.141 -0.041 1.00 0.00 C ATOM 740 CG ARG A 74 -17.633 8.575 0.394 1.00 0.00 C ATOM 741 CD ARG A 74 -18.202 9.333 1.584 1.00 0.00 C ATOM 742 NE ARG A 74 -19.560 8.904 1.903 1.00 0.00 N ATOM 743 CZ ARG A 74 -20.173 9.167 3.055 1.00 0.00 C ATOM 744 NH1 ARG A 74 -19.547 9.845 4.009 1.00 0.00 N ATOM 745 NH2 ARG A 74 -21.417 8.754 3.252 1.00 0.00 N ATOM 0 H ARG A 74 -14.005 9.971 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.516 9.722 1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -16.431 10.174 -0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.940 8.585 -0.910 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.335 8.623 -0.438 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -17.518 7.523 0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -17.560 9.181 2.452 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -18.200 10.402 1.369 1.00 0.00 H new ATOM 0 HE ARG A 74 -20.071 8.370 1.200 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.591 10.168 3.862 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -20.022 10.043 4.889 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -21.904 8.235 2.521 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -21.887 8.955 4.134 1.00 0.00 H new ATOM 759 N TYR A 75 -14.214 6.881 0.858 1.00 0.00 N ATOM 760 CA TYR A 75 -14.019 5.486 1.230 1.00 0.00 C ATOM 761 C TYR A 75 -12.837 5.296 2.180 1.00 0.00 C ATOM 762 O TYR A 75 -12.800 4.328 2.936 1.00 0.00 O ATOM 763 CB TYR A 75 -13.833 4.621 -0.016 1.00 0.00 C ATOM 764 CG TYR A 75 -15.006 4.677 -0.969 1.00 0.00 C ATOM 765 CD1 TYR A 75 -16.312 4.607 -0.499 1.00 0.00 C ATOM 766 CD2 TYR A 75 -14.806 4.796 -2.336 1.00 0.00 C ATOM 767 CE1 TYR A 75 -17.384 4.657 -1.367 1.00 0.00 C ATOM 768 CE2 TYR A 75 -15.873 4.846 -3.211 1.00 0.00 C ATOM 769 CZ TYR A 75 -17.159 4.777 -2.722 1.00 0.00 C ATOM 770 OH TYR A 75 -18.225 4.829 -3.589 1.00 0.00 O ATOM 0 H TYR A 75 -13.681 7.183 0.043 1.00 0.00 H new ATOM 0 HA TYR A 75 -14.918 5.171 1.760 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -12.933 4.942 -0.541 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -13.672 3.587 0.290 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -16.491 4.512 0.562 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -13.799 4.850 -2.723 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -18.393 4.602 -0.987 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -15.700 4.939 -4.273 1.00 0.00 H new ATOM 0 HH TYR A 75 -17.895 4.915 -4.508 1.00 0.00 H new ATOM 780 N VAL A 76 -11.866 6.196 2.148 1.00 0.00 N ATOM 781 CA VAL A 76 -10.718 6.073 3.038 1.00 0.00 C ATOM 782 C VAL A 76 -11.051 6.656 4.403 1.00 0.00 C ATOM 783 O VAL A 76 -11.356 7.841 4.524 1.00 0.00 O ATOM 784 CB VAL A 76 -9.458 6.766 2.474 1.00 0.00 C ATOM 785 CG1 VAL A 76 -8.318 6.709 3.484 1.00 0.00 C ATOM 786 CG2 VAL A 76 -9.032 6.116 1.167 1.00 0.00 C ATOM 0 H VAL A 76 -11.847 7.006 1.528 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.497 5.010 3.129 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.701 7.811 2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.439 7.202 3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.619 7.215 4.401 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.080 5.669 3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.143 6.617 0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.809 5.063 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.838 6.201 0.439 1.00 0.00 H new ATOM 796 N SER A 77 -11.002 5.815 5.424 1.00 0.00 N ATOM 797 CA SER A 77 -11.344 6.239 6.772 1.00 0.00 C ATOM 798 C SER A 77 -10.162 6.923 7.445 1.00 0.00 C ATOM 799 O SER A 77 -10.334 7.901 8.174 1.00 0.00 O ATOM 800 CB SER A 77 -11.802 5.036 7.599 1.00 0.00 C ATOM 801 OG SER A 77 -12.892 4.375 6.974 1.00 0.00 O ATOM 0 H SER A 77 -10.729 4.835 5.345 1.00 0.00 H new ATOM 0 HA SER A 77 -12.160 6.959 6.709 1.00 0.00 H new ATOM 0 HB2 SER A 77 -10.973 4.339 7.724 1.00 0.00 H new ATOM 0 HB3 SER A 77 -12.095 5.366 8.596 1.00 0.00 H new ATOM 0 HG SER A 77 -12.708 3.414 6.927 1.00 0.00 H new ATOM 807 N ALA A 78 -8.961 6.418 7.192 1.00 0.00 N ATOM 808 CA ALA A 78 -7.764 6.965 7.807 1.00 0.00 C ATOM 809 C ALA A 78 -6.523 6.543 7.042 1.00 0.00 C ATOM 810 O ALA A 78 -6.480 5.456 6.462 1.00 0.00 O ATOM 811 CB ALA A 78 -7.663 6.518 9.256 1.00 0.00 C ATOM 0 H ALA A 78 -8.793 5.631 6.565 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.833 8.052 7.777 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.761 6.936 9.704 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -8.537 6.867 9.806 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.619 5.430 9.299 1.00 0.00 H new ATOM 817 N MET A 79 -5.526 7.414 7.038 1.00 0.00 N ATOM 818 CA MET A 79 -4.245 7.133 6.412 1.00 0.00 C ATOM 819 C MET A 79 -3.184 8.074 6.967 1.00 0.00 C ATOM 820 O MET A 79 -3.452 9.251 7.204 1.00 0.00 O ATOM 821 CB MET A 79 -4.317 7.270 4.883 1.00 0.00 C ATOM 822 CG MET A 79 -4.738 8.651 4.399 1.00 0.00 C ATOM 823 SD MET A 79 -4.130 9.028 2.741 1.00 0.00 S ATOM 824 CE MET A 79 -4.971 7.786 1.763 1.00 0.00 C ATOM 0 H MET A 79 -5.583 8.337 7.469 1.00 0.00 H new ATOM 0 HA MET A 79 -3.979 6.101 6.641 1.00 0.00 H new ATOM 0 HB2 MET A 79 -3.340 7.032 4.462 1.00 0.00 H new ATOM 0 HB3 MET A 79 -5.020 6.532 4.496 1.00 0.00 H new ATOM 0 HG2 MET A 79 -5.826 8.717 4.406 1.00 0.00 H new ATOM 0 HG3 MET A 79 -4.369 9.403 5.096 1.00 0.00 H new ATOM 0 HE1 MET A 79 -4.392 7.577 0.864 1.00 0.00 H new ATOM 0 HE2 MET A 79 -5.076 6.872 2.348 1.00 0.00 H new ATOM 0 HE3 MET A 79 -5.959 8.152 1.482 1.00 0.00 H new ATOM 834 N SER A 80 -1.995 7.547 7.193 1.00 0.00 N ATOM 835 CA SER A 80 -0.898 8.341 7.717 1.00 0.00 C ATOM 836 C SER A 80 0.384 8.019 6.964 1.00 0.00 C ATOM 837 O SER A 80 0.616 6.871 6.580 1.00 0.00 O ATOM 838 CB SER A 80 -0.725 8.080 9.219 1.00 0.00 C ATOM 839 OG SER A 80 0.258 8.933 9.787 1.00 0.00 O ATOM 0 H SER A 80 -1.763 6.569 7.021 1.00 0.00 H new ATOM 0 HA SER A 80 -1.126 9.398 7.577 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.677 8.232 9.727 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.441 7.040 9.378 1.00 0.00 H new ATOM 0 HG SER A 80 0.343 8.742 10.745 1.00 0.00 H new ATOM 845 N VAL A 81 1.208 9.033 6.754 1.00 0.00 N ATOM 846 CA VAL A 81 2.436 8.883 5.991 1.00 0.00 C ATOM 847 C VAL A 81 3.639 9.013 6.916 1.00 0.00 C ATOM 848 O VAL A 81 3.820 10.048 7.557 1.00 0.00 O ATOM 849 CB VAL A 81 2.543 9.946 4.872 1.00 0.00 C ATOM 850 CG1 VAL A 81 3.726 9.667 3.958 1.00 0.00 C ATOM 851 CG2 VAL A 81 1.247 10.028 4.081 1.00 0.00 C ATOM 0 H VAL A 81 1.046 9.977 7.105 1.00 0.00 H new ATOM 0 HA VAL A 81 2.420 7.896 5.530 1.00 0.00 H new ATOM 0 HB VAL A 81 2.713 10.914 5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.774 10.431 3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.647 9.682 4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.605 8.687 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.345 10.782 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.036 9.060 3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.430 10.302 4.749 1.00 0.00 H new ATOM 861 N ALA A 82 4.458 7.975 6.979 1.00 0.00 N ATOM 862 CA ALA A 82 5.616 7.961 7.854 1.00 0.00 C ATOM 863 C ALA A 82 6.828 7.421 7.108 1.00 0.00 C ATOM 864 O ALA A 82 6.895 6.237 6.781 1.00 0.00 O ATOM 865 CB ALA A 82 5.337 7.122 9.089 1.00 0.00 C ATOM 0 H ALA A 82 4.339 7.125 6.428 1.00 0.00 H new ATOM 0 HA ALA A 82 5.827 8.982 8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.215 7.122 9.735 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.489 7.542 9.630 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.106 6.100 8.790 1.00 0.00 H new ATOM 871 N LYS A 83 7.781 8.307 6.870 1.00 0.00 N ATOM 872 CA LYS A 83 8.990 7.983 6.104 1.00 0.00 C ATOM 873 C LYS A 83 8.596 7.450 4.720 1.00 0.00 C ATOM 874 O LYS A 83 9.192 6.506 4.206 1.00 0.00 O ATOM 875 CB LYS A 83 9.832 6.921 6.832 1.00 0.00 C ATOM 876 CG LYS A 83 10.078 7.202 8.310 1.00 0.00 C ATOM 877 CD LYS A 83 11.080 8.322 8.522 1.00 0.00 C ATOM 878 CE LYS A 83 11.390 8.502 10.000 1.00 0.00 C ATOM 879 NZ LYS A 83 12.432 9.537 10.232 1.00 0.00 N ATOM 0 H LYS A 83 7.746 9.272 7.199 1.00 0.00 H new ATOM 0 HA LYS A 83 9.583 8.892 6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.334 5.956 6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.795 6.833 6.328 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.135 7.465 8.790 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.441 6.296 8.795 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.998 8.101 7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.684 9.252 8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.479 8.781 10.530 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.724 7.552 10.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.935 9.331 11.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.108 9.532 9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.983 10.473 10.298 1.00 0.00 H new ATOM 893 N GLY A 84 7.575 8.068 4.135 1.00 0.00 N ATOM 894 CA GLY A 84 7.024 7.615 2.864 1.00 0.00 C ATOM 895 C GLY A 84 6.095 6.419 3.003 1.00 0.00 C ATOM 896 O GLY A 84 5.235 6.195 2.152 1.00 0.00 O ATOM 0 H GLY A 84 7.111 8.889 4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.480 8.437 2.398 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.843 7.354 2.193 1.00 0.00 H new ATOM 900 N VAL A 85 6.265 5.658 4.076 1.00 0.00 N ATOM 901 CA VAL A 85 5.412 4.508 4.357 1.00 0.00 C ATOM 902 C VAL A 85 4.023 4.991 4.717 1.00 0.00 C ATOM 903 O VAL A 85 3.883 5.946 5.470 1.00 0.00 O ATOM 904 CB VAL A 85 5.977 3.657 5.517 1.00 0.00 C ATOM 905 CG1 VAL A 85 5.156 2.395 5.721 1.00 0.00 C ATOM 906 CG2 VAL A 85 7.437 3.315 5.268 1.00 0.00 C ATOM 0 H VAL A 85 6.993 5.818 4.773 1.00 0.00 H new ATOM 0 HA VAL A 85 5.375 3.884 3.464 1.00 0.00 H new ATOM 0 HB VAL A 85 5.913 4.248 6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.577 1.816 6.543 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.127 2.665 5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.175 1.797 4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.817 2.716 6.096 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.525 2.750 4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.018 4.234 5.189 1.00 0.00 H new ATOM 916 N VAL A 86 2.985 4.358 4.201 1.00 0.00 N ATOM 917 CA VAL A 86 1.643 4.853 4.423 1.00 0.00 C ATOM 918 C VAL A 86 0.754 3.751 4.990 1.00 0.00 C ATOM 919 O VAL A 86 0.595 2.682 4.395 1.00 0.00 O ATOM 920 CB VAL A 86 1.014 5.438 3.137 1.00 0.00 C ATOM 921 CG1 VAL A 86 1.804 6.645 2.663 1.00 0.00 C ATOM 922 CG2 VAL A 86 0.940 4.399 2.032 1.00 0.00 C ATOM 0 H VAL A 86 3.045 3.512 3.634 1.00 0.00 H new ATOM 0 HA VAL A 86 1.717 5.664 5.148 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.003 5.748 3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.349 7.045 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.800 7.410 3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.831 6.348 2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.493 4.844 1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.944 4.047 1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.330 3.559 2.363 1.00 0.00 H new ATOM 932 N SER A 87 0.234 3.998 6.175 1.00 0.00 N ATOM 933 CA SER A 87 -0.679 3.068 6.807 1.00 0.00 C ATOM 934 C SER A 87 -2.114 3.572 6.726 1.00 0.00 C ATOM 935 O SER A 87 -2.428 4.681 7.169 1.00 0.00 O ATOM 936 CB SER A 87 -0.257 2.844 8.262 1.00 0.00 C ATOM 937 OG SER A 87 -0.148 4.076 8.960 1.00 0.00 O ATOM 0 H SER A 87 0.429 4.837 6.721 1.00 0.00 H new ATOM 0 HA SER A 87 -0.637 2.116 6.277 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.985 2.204 8.760 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.699 2.321 8.290 1.00 0.00 H new ATOM 0 HG SER A 87 -0.907 4.651 8.728 1.00 0.00 H new ATOM 943 N LEU A 88 -2.977 2.755 6.142 1.00 0.00 N ATOM 944 CA LEU A 88 -4.379 3.100 5.982 1.00 0.00 C ATOM 945 C LEU A 88 -5.224 2.200 6.869 1.00 0.00 C ATOM 946 O LEU A 88 -4.996 0.992 6.929 1.00 0.00 O ATOM 947 CB LEU A 88 -4.837 2.951 4.527 1.00 0.00 C ATOM 948 CG LEU A 88 -4.119 3.838 3.497 1.00 0.00 C ATOM 949 CD1 LEU A 88 -2.779 3.241 3.087 1.00 0.00 C ATOM 950 CD2 LEU A 88 -5.004 4.053 2.280 1.00 0.00 C ATOM 0 H LEU A 88 -2.726 1.840 5.768 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.503 4.144 6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.708 1.910 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.905 3.166 4.480 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.921 4.803 3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.298 3.893 2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.140 3.144 3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.939 2.258 2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.484 4.683 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.234 3.091 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.930 4.540 2.585 1.00 0.00 H new ATOM 962 N THR A 89 -6.193 2.780 7.548 1.00 0.00 N ATOM 963 CA THR A 89 -7.009 2.028 8.480 1.00 0.00 C ATOM 964 C THR A 89 -8.471 2.001 8.040 1.00 0.00 C ATOM 965 O THR A 89 -9.032 3.033 7.660 1.00 0.00 O ATOM 966 CB THR A 89 -6.905 2.623 9.897 1.00 0.00 C ATOM 967 OG1 THR A 89 -5.526 2.805 10.240 1.00 0.00 O ATOM 968 CG2 THR A 89 -7.569 1.718 10.925 1.00 0.00 C ATOM 0 H THR A 89 -6.435 3.768 7.472 1.00 0.00 H new ATOM 0 HA THR A 89 -6.632 1.005 8.493 1.00 0.00 H new ATOM 0 HB THR A 89 -7.421 3.583 9.903 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.460 3.185 11.141 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.479 2.165 11.915 1.00 0.00 H new ATOM 0 HG22 THR A 89 -8.623 1.597 10.676 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.081 0.743 10.921 1.00 0.00 H new ATOM 976 N GLY A 90 -9.060 0.806 8.096 1.00 0.00 N ATOM 977 CA GLY A 90 -10.474 0.629 7.789 1.00 0.00 C ATOM 978 C GLY A 90 -10.895 1.252 6.478 1.00 0.00 C ATOM 979 O GLY A 90 -11.900 1.959 6.415 1.00 0.00 O ATOM 0 H GLY A 90 -8.575 -0.054 8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.700 -0.437 7.763 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.068 1.062 8.594 1.00 0.00 H new ATOM 983 N GLN A 91 -10.128 1.004 5.434 1.00 0.00 N ATOM 984 CA GLN A 91 -10.417 1.590 4.137 1.00 0.00 C ATOM 985 C GLN A 91 -11.630 0.888 3.526 1.00 0.00 C ATOM 986 O GLN A 91 -11.635 -0.330 3.382 1.00 0.00 O ATOM 987 CB GLN A 91 -9.177 1.438 3.242 1.00 0.00 C ATOM 988 CG GLN A 91 -9.050 2.455 2.115 1.00 0.00 C ATOM 989 CD GLN A 91 -9.984 2.197 0.949 1.00 0.00 C ATOM 990 OE1 GLN A 91 -9.654 1.452 0.031 1.00 0.00 O ATOM 991 NE2 GLN A 91 -11.140 2.839 0.954 1.00 0.00 N ATOM 0 H GLN A 91 -9.304 0.404 5.457 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.651 2.650 4.235 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -8.288 1.505 3.869 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.186 0.439 2.806 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.247 3.451 2.513 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -8.022 2.455 1.752 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -11.381 3.450 1.734 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -11.791 2.723 0.178 1.00 0.00 H new ATOM 1000 N GLU A 92 -12.648 1.664 3.163 1.00 0.00 N ATOM 1001 CA GLU A 92 -13.881 1.126 2.594 1.00 0.00 C ATOM 1002 C GLU A 92 -14.494 0.082 3.543 1.00 0.00 C ATOM 1003 O GLU A 92 -14.481 0.261 4.763 1.00 0.00 O ATOM 1004 CB GLU A 92 -13.593 0.520 1.212 1.00 0.00 C ATOM 1005 CG GLU A 92 -14.631 0.868 0.154 1.00 0.00 C ATOM 1006 CD GLU A 92 -16.026 0.412 0.517 1.00 0.00 C ATOM 1007 OE1 GLU A 92 -16.840 1.252 0.951 1.00 0.00 O ATOM 1008 OE2 GLU A 92 -16.305 -0.798 0.398 1.00 0.00 O ATOM 0 H GLU A 92 -12.642 2.680 3.254 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.605 1.932 2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.615 0.862 0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.536 -0.564 1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -14.637 1.947 0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -14.342 0.413 -0.793 1.00 0.00 H new ATOM 1015 N SER A 93 -15.035 -0.993 2.981 1.00 0.00 N ATOM 1016 CA SER A 93 -15.608 -2.083 3.763 1.00 0.00 C ATOM 1017 C SER A 93 -14.558 -2.795 4.621 1.00 0.00 C ATOM 1018 O SER A 93 -14.906 -3.576 5.508 1.00 0.00 O ATOM 1019 CB SER A 93 -16.272 -3.092 2.832 1.00 0.00 C ATOM 1020 OG SER A 93 -17.316 -2.489 2.086 1.00 0.00 O ATOM 0 H SER A 93 -15.089 -1.134 1.972 1.00 0.00 H new ATOM 0 HA SER A 93 -16.346 -1.647 4.436 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.529 -3.508 2.152 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.670 -3.922 3.415 1.00 0.00 H new ATOM 0 HG SER A 93 -16.945 -2.080 1.276 1.00 0.00 H new ATOM 1026 N LEU A 94 -13.284 -2.511 4.366 1.00 0.00 N ATOM 1027 CA LEU A 94 -12.175 -3.217 5.006 1.00 0.00 C ATOM 1028 C LEU A 94 -11.954 -2.710 6.432 1.00 0.00 C ATOM 1029 O LEU A 94 -10.822 -2.502 6.863 1.00 0.00 O ATOM 1030 CB LEU A 94 -10.889 -3.053 4.190 1.00 0.00 C ATOM 1031 CG LEU A 94 -10.991 -3.399 2.699 1.00 0.00 C ATOM 1032 CD1 LEU A 94 -9.675 -3.105 2.000 1.00 0.00 C ATOM 1033 CD2 LEU A 94 -11.384 -4.855 2.497 1.00 0.00 C ATOM 0 H LEU A 94 -12.990 -1.786 3.711 1.00 0.00 H new ATOM 0 HA LEU A 94 -12.434 -4.275 5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.554 -2.020 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.117 -3.679 4.636 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.771 -2.777 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.761 -3.355 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.436 -2.047 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.882 -3.702 2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.448 -5.070 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.634 -5.501 2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -12.352 -5.039 2.963 1.00 0.00 H new ATOM 1045 N ASN A 95 -13.046 -2.456 7.132 1.00 0.00 N ATOM 1046 CA ASN A 95 -13.003 -2.006 8.520 1.00 0.00 C ATOM 1047 C ASN A 95 -12.162 -2.958 9.376 1.00 0.00 C ATOM 1048 O ASN A 95 -12.314 -4.179 9.303 1.00 0.00 O ATOM 1049 CB ASN A 95 -14.426 -1.922 9.079 1.00 0.00 C ATOM 1050 CG ASN A 95 -14.491 -1.274 10.452 1.00 0.00 C ATOM 1051 OD1 ASN A 95 -15.299 -1.661 11.297 1.00 0.00 O ATOM 1052 ND2 ASN A 95 -13.672 -0.260 10.677 1.00 0.00 N ATOM 0 H ASN A 95 -13.990 -2.555 6.758 1.00 0.00 H new ATOM 0 HA ASN A 95 -12.541 -1.019 8.550 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.049 -1.355 8.387 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.847 -2.926 9.138 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.698 0.227 11.573 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -13.015 0.035 9.955 1.00 0.00 H new ATOM 1059 N GLY A 96 -11.276 -2.389 10.183 1.00 0.00 N ATOM 1060 CA GLY A 96 -10.380 -3.190 10.996 1.00 0.00 C ATOM 1061 C GLY A 96 -9.099 -3.555 10.269 1.00 0.00 C ATOM 1062 O GLY A 96 -8.086 -3.861 10.896 1.00 0.00 O ATOM 0 H GLY A 96 -11.161 -1.381 10.290 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.133 -2.642 11.905 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.892 -4.102 11.302 1.00 0.00 H new ATOM 1066 N LEU A 97 -9.143 -3.517 8.947 1.00 0.00 N ATOM 1067 CA LEU A 97 -8.006 -3.896 8.130 1.00 0.00 C ATOM 1068 C LEU A 97 -7.028 -2.733 8.022 1.00 0.00 C ATOM 1069 O LEU A 97 -7.430 -1.582 7.838 1.00 0.00 O ATOM 1070 CB LEU A 97 -8.506 -4.339 6.748 1.00 0.00 C ATOM 1071 CG LEU A 97 -7.457 -4.874 5.764 1.00 0.00 C ATOM 1072 CD1 LEU A 97 -8.114 -5.803 4.759 1.00 0.00 C ATOM 1073 CD2 LEU A 97 -6.775 -3.735 5.025 1.00 0.00 C ATOM 0 H LEU A 97 -9.963 -3.224 8.415 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.477 -4.729 8.592 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.260 -5.113 6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.006 -3.490 6.281 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.706 -5.421 6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.362 -6.178 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.573 -6.641 5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.879 -5.258 4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.036 -4.141 4.334 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.519 -3.166 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.280 -3.081 5.742 1.00 0.00 H new ATOM 1085 N SER A 98 -5.749 -3.040 8.157 1.00 0.00 N ATOM 1086 CA SER A 98 -4.707 -2.042 8.016 1.00 0.00 C ATOM 1087 C SER A 98 -3.875 -2.322 6.770 1.00 0.00 C ATOM 1088 O SER A 98 -3.364 -3.429 6.592 1.00 0.00 O ATOM 1089 CB SER A 98 -3.810 -2.037 9.254 1.00 0.00 C ATOM 1090 OG SER A 98 -4.575 -1.848 10.436 1.00 0.00 O ATOM 0 H SER A 98 -5.408 -3.978 8.365 1.00 0.00 H new ATOM 0 HA SER A 98 -5.174 -1.062 7.915 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.265 -2.979 9.316 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.067 -1.244 9.166 1.00 0.00 H new ATOM 0 HG SER A 98 -3.980 -1.850 11.215 1.00 0.00 H new ATOM 1096 N VAL A 99 -3.767 -1.331 5.901 1.00 0.00 N ATOM 1097 CA VAL A 99 -2.935 -1.448 4.713 1.00 0.00 C ATOM 1098 C VAL A 99 -1.629 -0.715 4.953 1.00 0.00 C ATOM 1099 O VAL A 99 -1.641 0.450 5.348 1.00 0.00 O ATOM 1100 CB VAL A 99 -3.610 -0.846 3.460 1.00 0.00 C ATOM 1101 CG1 VAL A 99 -2.778 -1.111 2.216 1.00 0.00 C ATOM 1102 CG2 VAL A 99 -5.021 -1.381 3.282 1.00 0.00 C ATOM 0 H VAL A 99 -4.245 -0.435 5.995 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.771 -2.510 4.530 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.675 0.232 3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.274 -0.678 1.347 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.793 -0.660 2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.670 -2.186 2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.468 -0.938 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.988 -2.465 3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.620 -1.124 4.155 1.00 0.00 H new ATOM 1112 N VAL A 100 -0.506 -1.379 4.733 1.00 0.00 N ATOM 1113 CA VAL A 100 0.785 -0.758 4.960 1.00 0.00 C ATOM 1114 C VAL A 100 1.623 -0.820 3.692 1.00 0.00 C ATOM 1115 O VAL A 100 2.119 -1.883 3.311 1.00 0.00 O ATOM 1116 CB VAL A 100 1.554 -1.438 6.115 1.00 0.00 C ATOM 1117 CG1 VAL A 100 2.872 -0.725 6.381 1.00 0.00 C ATOM 1118 CG2 VAL A 100 0.703 -1.482 7.377 1.00 0.00 C ATOM 0 H VAL A 100 -0.464 -2.342 4.400 1.00 0.00 H new ATOM 0 HA VAL A 100 0.604 0.280 5.237 1.00 0.00 H new ATOM 0 HB VAL A 100 1.776 -2.463 5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.396 -1.221 7.198 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.489 -0.755 5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.676 0.312 6.653 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.264 -1.965 8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.444 -0.467 7.677 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.209 -2.046 7.181 1.00 0.00 H new ATOM 1128 N MET A 101 1.758 0.314 3.026 1.00 0.00 N ATOM 1129 CA MET A 101 2.568 0.387 1.819 1.00 0.00 C ATOM 1130 C MET A 101 3.929 0.994 2.147 1.00 0.00 C ATOM 1131 O MET A 101 4.013 2.133 2.604 1.00 0.00 O ATOM 1132 CB MET A 101 1.858 1.200 0.732 1.00 0.00 C ATOM 1133 CG MET A 101 2.555 1.143 -0.617 1.00 0.00 C ATOM 1134 SD MET A 101 1.681 2.052 -1.906 1.00 0.00 S ATOM 1135 CE MET A 101 0.103 1.200 -1.931 1.00 0.00 C ATOM 0 H MET A 101 1.320 1.194 3.298 1.00 0.00 H new ATOM 0 HA MET A 101 2.715 -0.622 1.434 1.00 0.00 H new ATOM 0 HB2 MET A 101 0.838 0.832 0.621 1.00 0.00 H new ATOM 0 HB3 MET A 101 1.789 2.239 1.053 1.00 0.00 H new ATOM 0 HG2 MET A 101 3.562 1.547 -0.516 1.00 0.00 H new ATOM 0 HG3 MET A 101 2.658 0.102 -0.922 1.00 0.00 H new ATOM 0 HE1 MET A 101 -0.182 0.993 -2.962 1.00 0.00 H new ATOM 0 HE2 MET A 101 0.187 0.262 -1.383 1.00 0.00 H new ATOM 0 HE3 MET A 101 -0.656 1.827 -1.463 1.00 0.00 H new ATOM 1145 N THR A 102 4.984 0.218 1.929 1.00 0.00 N ATOM 1146 CA THR A 102 6.329 0.626 2.305 1.00 0.00 C ATOM 1147 C THR A 102 7.211 0.885 1.080 1.00 0.00 C ATOM 1148 O THR A 102 7.663 -0.053 0.422 1.00 0.00 O ATOM 1149 CB THR A 102 6.993 -0.458 3.177 1.00 0.00 C ATOM 1150 OG1 THR A 102 6.121 -0.809 4.259 1.00 0.00 O ATOM 1151 CG2 THR A 102 8.330 0.018 3.730 1.00 0.00 C ATOM 0 H THR A 102 4.931 -0.702 1.491 1.00 0.00 H new ATOM 0 HA THR A 102 6.235 1.555 2.867 1.00 0.00 H new ATOM 0 HB THR A 102 7.176 -1.331 2.551 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.545 -1.499 4.810 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.772 -0.769 4.340 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.001 0.257 2.905 1.00 0.00 H new ATOM 0 HG23 THR A 102 8.175 0.907 4.341 1.00 0.00 H new ATOM 1159 N PRO A 103 7.448 2.161 0.742 1.00 0.00 N ATOM 1160 CA PRO A 103 8.413 2.532 -0.293 1.00 0.00 C ATOM 1161 C PRO A 103 9.848 2.336 0.190 1.00 0.00 C ATOM 1162 O PRO A 103 10.209 2.751 1.290 1.00 0.00 O ATOM 1163 CB PRO A 103 8.130 4.014 -0.535 1.00 0.00 C ATOM 1164 CG PRO A 103 7.565 4.494 0.756 1.00 0.00 C ATOM 1165 CD PRO A 103 6.782 3.337 1.318 1.00 0.00 C ATOM 0 HA PRO A 103 8.314 1.922 -1.191 1.00 0.00 H new ATOM 0 HB2 PRO A 103 9.039 4.555 -0.798 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.426 4.156 -1.355 1.00 0.00 H new ATOM 0 HG2 PRO A 103 8.357 4.799 1.440 1.00 0.00 H new ATOM 0 HG3 PRO A 103 6.924 5.362 0.603 1.00 0.00 H new ATOM 0 HD2 PRO A 103 6.813 3.323 2.407 1.00 0.00 H new ATOM 0 HD3 PRO A 103 5.732 3.385 1.030 1.00 0.00 H new ATOM 1173 N GLY A 104 10.645 1.677 -0.627 1.00 0.00 N ATOM 1174 CA GLY A 104 12.031 1.435 -0.278 1.00 0.00 C ATOM 1175 C GLY A 104 12.286 -0.018 0.041 1.00 0.00 C ATOM 1176 O GLY A 104 13.430 -0.471 0.073 1.00 0.00 O ATOM 0 H GLY A 104 10.360 1.302 -1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.672 1.743 -1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 104 12.301 2.048 0.582 1.00 0.00 H new ATOM 1291 N GLY A 113 10.220 2.249 -5.126 1.00 0.00 N ATOM 1292 CA GLY A 113 9.445 1.029 -5.191 1.00 0.00 C ATOM 1293 C GLY A 113 8.558 0.854 -3.975 1.00 0.00 C ATOM 1294 O GLY A 113 9.037 0.920 -2.840 1.00 0.00 O ATOM 0 HA2 GLY A 113 8.829 1.038 -6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 113 10.118 0.176 -5.274 1.00 0.00 H new ATOM 1298 N TRP A 114 7.270 0.632 -4.205 1.00 0.00 N ATOM 1299 CA TRP A 114 6.308 0.499 -3.117 1.00 0.00 C ATOM 1300 C TRP A 114 5.994 -0.966 -2.834 1.00 0.00 C ATOM 1301 O TRP A 114 5.657 -1.722 -3.742 1.00 0.00 O ATOM 1302 CB TRP A 114 5.009 1.235 -3.455 1.00 0.00 C ATOM 1303 CG TRP A 114 5.180 2.710 -3.635 1.00 0.00 C ATOM 1304 CD1 TRP A 114 5.155 3.660 -2.656 1.00 0.00 C ATOM 1305 CD2 TRP A 114 5.395 3.408 -4.866 1.00 0.00 C ATOM 1306 NE1 TRP A 114 5.349 4.904 -3.204 1.00 0.00 N ATOM 1307 CE2 TRP A 114 5.499 4.776 -4.558 1.00 0.00 C ATOM 1308 CE3 TRP A 114 5.513 3.008 -6.199 1.00 0.00 C ATOM 1309 CZ2 TRP A 114 5.715 5.745 -5.533 1.00 0.00 C ATOM 1310 CZ3 TRP A 114 5.726 3.969 -7.168 1.00 0.00 C ATOM 1311 CH2 TRP A 114 5.826 5.323 -6.830 1.00 0.00 C ATOM 0 H TRP A 114 6.866 0.540 -5.137 1.00 0.00 H new ATOM 0 HA TRP A 114 6.757 0.941 -2.228 1.00 0.00 H new ATOM 0 HB2 TRP A 114 4.591 0.813 -4.369 1.00 0.00 H new ATOM 0 HB3 TRP A 114 4.284 1.057 -2.661 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.005 3.463 -1.605 1.00 0.00 H new ATOM 0 HE1 TRP A 114 5.377 5.782 -2.685 1.00 0.00 H new ATOM 0 HE3 TRP A 114 5.439 1.965 -6.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 5.792 6.791 -5.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.817 3.671 -8.202 1.00 0.00 H new ATOM 0 HH2 TRP A 114 5.994 6.051 -7.610 1.00 0.00 H new ATOM 1322 N ALA A 115 6.111 -1.357 -1.576 1.00 0.00 N ATOM 1323 CA ALA A 115 5.711 -2.688 -1.148 1.00 0.00 C ATOM 1324 C ALA A 115 4.306 -2.629 -0.559 1.00 0.00 C ATOM 1325 O ALA A 115 3.925 -1.619 0.028 1.00 0.00 O ATOM 1326 CB ALA A 115 6.704 -3.235 -0.139 1.00 0.00 C ATOM 0 H ALA A 115 6.482 -0.769 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 115 5.702 -3.361 -2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 115 6.393 -4.232 0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 115 7.693 -3.289 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.740 -2.577 0.729 1.00 0.00 H new ATOM 1332 N ARG A 116 3.536 -3.694 -0.721 1.00 0.00 N ATOM 1333 CA ARG A 116 2.129 -3.678 -0.328 1.00 0.00 C ATOM 1334 C ARG A 116 1.807 -4.767 0.691 1.00 0.00 C ATOM 1335 O ARG A 116 2.240 -5.910 0.553 1.00 0.00 O ATOM 1336 CB ARG A 116 1.249 -3.831 -1.564 1.00 0.00 C ATOM 1337 CG ARG A 116 1.354 -2.660 -2.526 1.00 0.00 C ATOM 1338 CD ARG A 116 0.604 -2.921 -3.820 1.00 0.00 C ATOM 1339 NE ARG A 116 1.241 -3.959 -4.631 1.00 0.00 N ATOM 1340 CZ ARG A 116 0.802 -4.337 -5.829 1.00 0.00 C ATOM 1341 NH1 ARG A 116 -0.297 -3.794 -6.340 1.00 0.00 N ATOM 1342 NH2 ARG A 116 1.460 -5.260 -6.516 1.00 0.00 N ATOM 0 H ARG A 116 3.856 -4.577 -1.119 1.00 0.00 H new ATOM 0 HA ARG A 116 1.926 -2.720 0.150 1.00 0.00 H new ATOM 0 HB2 ARG A 116 1.525 -4.747 -2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 116 0.211 -3.943 -1.251 1.00 0.00 H new ATOM 0 HG2 ARG A 116 0.957 -1.763 -2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 116 2.403 -2.465 -2.748 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -0.419 -3.219 -3.591 1.00 0.00 H new ATOM 0 HD3 ARG A 116 0.546 -1.998 -4.396 1.00 0.00 H new ATOM 0 HE ARG A 116 2.070 -4.420 -4.256 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -0.807 -3.085 -5.814 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -0.631 -4.086 -7.259 1.00 0.00 H new ATOM 0 HH21 ARG A 116 2.303 -5.681 -6.126 1.00 0.00 H new ATOM 0 HH22 ARG A 116 1.123 -5.549 -7.434 1.00 0.00 H new ATOM 1356 N ASN A 117 1.039 -4.399 1.713 1.00 0.00 N ATOM 1357 CA ASN A 117 0.672 -5.329 2.775 1.00 0.00 C ATOM 1358 C ASN A 117 -0.743 -5.048 3.284 1.00 0.00 C ATOM 1359 O ASN A 117 -1.098 -3.896 3.541 1.00 0.00 O ATOM 1360 CB ASN A 117 1.666 -5.224 3.937 1.00 0.00 C ATOM 1361 CG ASN A 117 1.362 -6.198 5.061 1.00 0.00 C ATOM 1362 OD1 ASN A 117 0.611 -5.886 5.978 1.00 0.00 O ATOM 1363 ND2 ASN A 117 1.958 -7.381 5.001 1.00 0.00 N ATOM 0 H ASN A 117 0.658 -3.460 1.828 1.00 0.00 H new ATOM 0 HA ASN A 117 0.700 -6.338 2.364 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.674 -5.409 3.565 1.00 0.00 H new ATOM 0 HB3 ASN A 117 1.653 -4.207 4.330 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.798 -8.070 5.736 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.576 -7.602 4.220 1.00 0.00 H new ATOM 1370 N CYS A 118 -1.542 -6.100 3.414 1.00 0.00 N ATOM 1371 CA CYS A 118 -2.881 -6.000 3.991 1.00 0.00 C ATOM 1372 C CYS A 118 -2.963 -6.822 5.273 1.00 0.00 C ATOM 1373 O CYS A 118 -2.788 -8.040 5.241 1.00 0.00 O ATOM 1374 CB CYS A 118 -3.938 -6.510 3.005 1.00 0.00 C ATOM 1375 SG CYS A 118 -4.048 -5.564 1.454 1.00 0.00 S ATOM 0 H CYS A 118 -1.284 -7.043 3.125 1.00 0.00 H new ATOM 0 HA CYS A 118 -3.074 -4.950 4.212 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -3.720 -7.551 2.766 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.911 -6.493 3.495 1.00 0.00 H new ATOM 1380 N ASN A 119 -3.225 -6.173 6.400 1.00 0.00 N ATOM 1381 CA ASN A 119 -3.358 -6.887 7.666 1.00 0.00 C ATOM 1382 C ASN A 119 -4.788 -6.837 8.183 1.00 0.00 C ATOM 1383 O ASN A 119 -5.259 -5.797 8.646 1.00 0.00 O ATOM 1384 CB ASN A 119 -2.418 -6.312 8.731 1.00 0.00 C ATOM 1385 CG ASN A 119 -0.971 -6.742 8.556 1.00 0.00 C ATOM 1386 OD1 ASN A 119 -0.050 -5.999 8.893 1.00 0.00 O ATOM 1387 ND2 ASN A 119 -0.754 -7.952 8.055 1.00 0.00 N ATOM 0 H ASN A 119 -3.349 -5.163 6.465 1.00 0.00 H new ATOM 0 HA ASN A 119 -3.086 -7.925 7.472 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -2.472 -5.224 8.703 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.765 -6.623 9.717 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.201 -8.292 7.939 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -1.542 -8.541 7.786 1.00 0.00 H new ATOM 1394 N ILE A 120 -5.484 -7.957 8.064 1.00 0.00 N ATOM 1395 CA ILE A 120 -6.794 -8.119 8.666 1.00 0.00 C ATOM 1396 C ILE A 120 -6.894 -9.509 9.316 1.00 0.00 C ATOM 1397 O ILE A 120 -7.006 -10.526 8.631 1.00 0.00 O ATOM 1398 CB ILE A 120 -7.914 -7.895 7.625 1.00 0.00 C ATOM 1399 CG1 ILE A 120 -9.291 -8.069 8.254 1.00 0.00 C ATOM 1400 CG2 ILE A 120 -7.743 -8.816 6.429 1.00 0.00 C ATOM 1401 CD1 ILE A 120 -9.621 -7.036 9.310 1.00 0.00 C ATOM 0 H ILE A 120 -5.157 -8.775 7.549 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.926 -7.365 9.442 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.835 -6.867 7.270 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -10.046 -8.025 7.469 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -9.353 -9.062 8.700 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.545 -8.636 5.713 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -6.782 -8.620 5.954 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.779 -9.854 6.761 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -10.617 -7.229 9.709 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -8.890 -7.094 10.116 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -9.594 -6.041 8.866 1.00 0.00 H new ATOM 1413 N GLN A 121 -6.815 -9.551 10.638 1.00 0.00 N ATOM 1414 CA GLN A 121 -6.688 -10.819 11.351 1.00 0.00 C ATOM 1415 C GLN A 121 -8.007 -11.593 11.414 1.00 0.00 C ATOM 1416 O GLN A 121 -8.023 -12.815 11.256 1.00 0.00 O ATOM 1417 CB GLN A 121 -6.155 -10.575 12.768 1.00 0.00 C ATOM 1418 CG GLN A 121 -5.803 -11.852 13.516 1.00 0.00 C ATOM 1419 CD GLN A 121 -4.733 -12.663 12.810 1.00 0.00 C ATOM 1420 OE1 GLN A 121 -3.873 -12.116 12.115 1.00 0.00 O ATOM 1421 NE2 GLN A 121 -4.779 -13.974 12.981 1.00 0.00 N ATOM 0 H GLN A 121 -6.836 -8.727 11.239 1.00 0.00 H new ATOM 0 HA GLN A 121 -5.982 -11.432 10.791 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -5.269 -9.942 12.710 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -6.903 -10.024 13.338 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -5.460 -11.599 14.519 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -6.700 -12.461 13.630 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -5.507 -14.387 13.564 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -4.087 -14.572 12.530 1.00 0.00 H new ATOM 1430 N SER A 122 -9.111 -10.888 11.621 1.00 0.00 N ATOM 1431 CA SER A 122 -10.380 -11.545 11.925 1.00 0.00 C ATOM 1432 C SER A 122 -11.359 -11.535 10.750 1.00 0.00 C ATOM 1433 O SER A 122 -12.523 -11.906 10.908 1.00 0.00 O ATOM 1434 CB SER A 122 -11.018 -10.871 13.140 1.00 0.00 C ATOM 1435 OG SER A 122 -10.138 -10.895 14.252 1.00 0.00 O ATOM 0 H SER A 122 -9.157 -9.870 11.585 1.00 0.00 H new ATOM 0 HA SER A 122 -10.160 -12.591 12.137 1.00 0.00 H new ATOM 0 HB2 SER A 122 -11.274 -9.840 12.896 1.00 0.00 H new ATOM 0 HB3 SER A 122 -11.948 -11.379 13.396 1.00 0.00 H new ATOM 0 HG SER A 122 -10.566 -10.457 15.017 1.00 0.00 H new ATOM 1441 N ASP A 123 -10.898 -11.142 9.573 1.00 0.00 N ATOM 1442 CA ASP A 123 -11.777 -11.052 8.408 1.00 0.00 C ATOM 1443 C ASP A 123 -11.048 -11.472 7.136 1.00 0.00 C ATOM 1444 O ASP A 123 -10.476 -10.636 6.433 1.00 0.00 O ATOM 1445 CB ASP A 123 -12.333 -9.633 8.240 1.00 0.00 C ATOM 1446 CG ASP A 123 -13.403 -9.269 9.251 1.00 0.00 C ATOM 1447 OD1 ASP A 123 -13.077 -8.606 10.259 1.00 0.00 O ATOM 1448 OD2 ASP A 123 -14.581 -9.622 9.032 1.00 0.00 O ATOM 0 H ASP A 123 -9.928 -10.881 9.395 1.00 0.00 H new ATOM 0 HA ASP A 123 -12.609 -11.735 8.579 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.513 -8.920 8.321 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -12.746 -9.531 7.236 1.00 0.00 H new ATOM 1453 N SER A 124 -11.074 -12.765 6.842 1.00 0.00 N ATOM 1454 CA SER A 124 -10.415 -13.301 5.655 1.00 0.00 C ATOM 1455 C SER A 124 -10.998 -12.705 4.372 1.00 0.00 C ATOM 1456 O SER A 124 -10.276 -12.465 3.405 1.00 0.00 O ATOM 1457 CB SER A 124 -10.541 -14.825 5.638 1.00 0.00 C ATOM 1458 OG SER A 124 -11.878 -15.228 5.880 1.00 0.00 O ATOM 0 H SER A 124 -11.547 -13.467 7.412 1.00 0.00 H new ATOM 0 HA SER A 124 -9.361 -13.025 5.697 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.211 -15.210 4.673 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.885 -15.256 6.394 1.00 0.00 H new ATOM 0 HG SER A 124 -11.933 -16.206 5.862 1.00 0.00 H new ATOM 1464 N ALA A 125 -12.305 -12.456 4.377 1.00 0.00 N ATOM 1465 CA ALA A 125 -12.991 -11.896 3.216 1.00 0.00 C ATOM 1466 C ALA A 125 -12.458 -10.510 2.872 1.00 0.00 C ATOM 1467 O ALA A 125 -12.302 -10.164 1.698 1.00 0.00 O ATOM 1468 CB ALA A 125 -14.487 -11.836 3.465 1.00 0.00 C ATOM 0 H ALA A 125 -12.913 -12.634 5.177 1.00 0.00 H new ATOM 0 HA ALA A 125 -12.798 -12.551 2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -14.985 -11.416 2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -14.866 -12.841 3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -14.686 -11.207 4.333 1.00 0.00 H new ATOM 1474 N LEU A 126 -12.169 -9.722 3.898 1.00 0.00 N ATOM 1475 CA LEU A 126 -11.616 -8.395 3.697 1.00 0.00 C ATOM 1476 C LEU A 126 -10.197 -8.500 3.158 1.00 0.00 C ATOM 1477 O LEU A 126 -9.768 -7.678 2.346 1.00 0.00 O ATOM 1478 CB LEU A 126 -11.638 -7.591 4.998 1.00 0.00 C ATOM 1479 CG LEU A 126 -13.032 -7.331 5.583 1.00 0.00 C ATOM 1480 CD1 LEU A 126 -12.936 -6.470 6.832 1.00 0.00 C ATOM 1481 CD2 LEU A 126 -13.937 -6.672 4.553 1.00 0.00 C ATOM 0 H LEU A 126 -12.309 -9.980 4.875 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.233 -7.870 2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -11.042 -8.119 5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.151 -6.632 4.822 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.468 -8.292 5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -13.935 -6.297 7.232 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.329 -6.980 7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -12.475 -5.515 6.581 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -14.920 -6.498 4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -13.504 -5.721 4.243 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -14.037 -7.325 3.686 1.00 0.00 H new ATOM 1493 N GLN A 127 -9.477 -9.531 3.593 1.00 0.00 N ATOM 1494 CA GLN A 127 -8.154 -9.800 3.058 1.00 0.00 C ATOM 1495 C GLN A 127 -8.255 -10.105 1.577 1.00 0.00 C ATOM 1496 O GLN A 127 -7.506 -9.555 0.782 1.00 0.00 O ATOM 1497 CB GLN A 127 -7.483 -10.973 3.779 1.00 0.00 C ATOM 1498 CG GLN A 127 -6.191 -11.424 3.110 1.00 0.00 C ATOM 1499 CD GLN A 127 -5.489 -12.532 3.869 1.00 0.00 C ATOM 1500 OE1 GLN A 127 -6.124 -13.328 4.562 1.00 0.00 O ATOM 1501 NE2 GLN A 127 -4.177 -12.604 3.726 1.00 0.00 N ATOM 0 H GLN A 127 -9.788 -10.187 4.309 1.00 0.00 H new ATOM 0 HA GLN A 127 -7.541 -8.912 3.215 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -7.271 -10.686 4.809 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -8.177 -11.813 3.819 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -6.412 -11.766 2.099 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -5.519 -10.571 3.018 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -3.690 -11.924 3.142 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.652 -13.339 4.199 1.00 0.00 H new ATOM 1510 N GLN A 128 -9.210 -10.958 1.221 1.00 0.00 N ATOM 1511 CA GLN A 128 -9.418 -11.361 -0.166 1.00 0.00 C ATOM 1512 C GLN A 128 -9.557 -10.149 -1.074 1.00 0.00 C ATOM 1513 O GLN A 128 -8.986 -10.104 -2.165 1.00 0.00 O ATOM 1514 CB GLN A 128 -10.670 -12.230 -0.286 1.00 0.00 C ATOM 1515 CG GLN A 128 -10.553 -13.580 0.401 1.00 0.00 C ATOM 1516 CD GLN A 128 -9.368 -14.379 -0.093 1.00 0.00 C ATOM 1517 OE1 GLN A 128 -8.280 -14.326 0.483 1.00 0.00 O ATOM 1518 NE2 GLN A 128 -9.564 -15.110 -1.176 1.00 0.00 N ATOM 0 H GLN A 128 -9.858 -11.387 1.881 1.00 0.00 H new ATOM 0 HA GLN A 128 -8.545 -11.935 -0.478 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -11.517 -11.690 0.138 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -10.890 -12.389 -1.342 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -10.463 -13.430 1.477 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -11.467 -14.150 0.234 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -10.481 -15.125 -1.622 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -8.798 -15.659 -1.566 1.00 0.00 H new ATOM 1527 N ALA A 129 -10.307 -9.163 -0.607 1.00 0.00 N ATOM 1528 CA ALA A 129 -10.530 -7.950 -1.369 1.00 0.00 C ATOM 1529 C ALA A 129 -9.277 -7.085 -1.405 1.00 0.00 C ATOM 1530 O ALA A 129 -8.889 -6.587 -2.460 1.00 0.00 O ATOM 1531 CB ALA A 129 -11.704 -7.179 -0.788 1.00 0.00 C ATOM 0 H ALA A 129 -10.772 -9.182 0.300 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.767 -8.227 -2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.864 -6.269 -1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -12.601 -7.797 -0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -11.490 -6.917 0.248 1.00 0.00 H new ATOM 1537 N CYS A 130 -8.640 -6.925 -0.253 1.00 0.00 N ATOM 1538 CA CYS A 130 -7.466 -6.069 -0.142 1.00 0.00 C ATOM 1539 C CYS A 130 -6.288 -6.667 -0.897 1.00 0.00 C ATOM 1540 O CYS A 130 -5.649 -5.987 -1.693 1.00 0.00 O ATOM 1541 CB CYS A 130 -7.091 -5.858 1.325 1.00 0.00 C ATOM 1542 SG CYS A 130 -5.819 -4.578 1.602 1.00 0.00 S ATOM 0 H CYS A 130 -8.916 -7.377 0.619 1.00 0.00 H new ATOM 0 HA CYS A 130 -7.711 -5.104 -0.586 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -7.988 -5.587 1.881 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -6.734 -6.803 1.736 1.00 0.00 H new ATOM 1547 N GLU A 131 -6.027 -7.950 -0.670 1.00 0.00 N ATOM 1548 CA GLU A 131 -4.898 -8.631 -1.289 1.00 0.00 C ATOM 1549 C GLU A 131 -5.025 -8.644 -2.806 1.00 0.00 C ATOM 1550 O GLU A 131 -4.054 -8.873 -3.504 1.00 0.00 O ATOM 1551 CB GLU A 131 -4.729 -10.063 -0.768 1.00 0.00 C ATOM 1552 CG GLU A 131 -5.833 -11.014 -1.191 1.00 0.00 C ATOM 1553 CD GLU A 131 -5.402 -12.464 -1.149 1.00 0.00 C ATOM 1554 OE1 GLU A 131 -5.415 -13.117 -2.216 1.00 0.00 O ATOM 1555 OE2 GLU A 131 -5.027 -12.951 -0.066 1.00 0.00 O ATOM 0 H GLU A 131 -6.587 -8.542 -0.057 1.00 0.00 H new ATOM 0 HA GLU A 131 -4.008 -8.066 -1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.774 -10.454 -1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -4.684 -10.038 0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -6.695 -10.876 -0.539 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -6.155 -10.764 -2.202 1.00 0.00 H new ATOM 1562 N ASP A 132 -6.233 -8.492 -3.317 1.00 0.00 N ATOM 1563 CA ASP A 132 -6.431 -8.446 -4.760 1.00 0.00 C ATOM 1564 C ASP A 132 -5.805 -7.175 -5.343 1.00 0.00 C ATOM 1565 O ASP A 132 -4.989 -7.238 -6.265 1.00 0.00 O ATOM 1566 CB ASP A 132 -7.926 -8.490 -5.085 1.00 0.00 C ATOM 1567 CG ASP A 132 -8.216 -8.686 -6.563 1.00 0.00 C ATOM 1568 OD1 ASP A 132 -7.951 -7.769 -7.366 1.00 0.00 O ATOM 1569 OD2 ASP A 132 -8.746 -9.755 -6.927 1.00 0.00 O ATOM 0 H ASP A 132 -7.085 -8.399 -2.764 1.00 0.00 H new ATOM 0 HA ASP A 132 -5.944 -9.312 -5.208 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -8.389 -9.299 -4.521 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -8.390 -7.562 -4.751 1.00 0.00 H new ATOM 1574 N VAL A 133 -6.175 -6.030 -4.783 1.00 0.00 N ATOM 1575 CA VAL A 133 -5.701 -4.739 -5.279 1.00 0.00 C ATOM 1576 C VAL A 133 -4.332 -4.372 -4.691 1.00 0.00 C ATOM 1577 O VAL A 133 -3.422 -3.938 -5.401 1.00 0.00 O ATOM 1578 CB VAL A 133 -6.727 -3.627 -4.964 1.00 0.00 C ATOM 1579 CG1 VAL A 133 -6.222 -2.268 -5.421 1.00 0.00 C ATOM 1580 CG2 VAL A 133 -8.064 -3.942 -5.613 1.00 0.00 C ATOM 0 H VAL A 133 -6.804 -5.967 -3.982 1.00 0.00 H new ATOM 0 HA VAL A 133 -5.589 -4.827 -6.360 1.00 0.00 H new ATOM 0 HB VAL A 133 -6.862 -3.589 -3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -6.965 -1.506 -5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -5.289 -2.035 -4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -6.050 -2.287 -6.497 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -8.776 -3.150 -5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -7.937 -4.012 -6.693 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -8.440 -4.891 -5.230 1.00 0.00 H new ATOM 1590 N PHE A 134 -4.205 -4.580 -3.392 1.00 0.00 N ATOM 1591 CA PHE A 134 -3.017 -4.218 -2.622 1.00 0.00 C ATOM 1592 C PHE A 134 -2.080 -5.412 -2.476 1.00 0.00 C ATOM 1593 O PHE A 134 -1.341 -5.516 -1.500 1.00 0.00 O ATOM 1594 CB PHE A 134 -3.398 -3.655 -1.251 1.00 0.00 C ATOM 1595 CG PHE A 134 -4.146 -2.349 -1.325 1.00 0.00 C ATOM 1596 CD1 PHE A 134 -5.530 -2.315 -1.236 1.00 0.00 C ATOM 1597 CD2 PHE A 134 -3.461 -1.151 -1.489 1.00 0.00 C ATOM 1598 CE1 PHE A 134 -6.214 -1.116 -1.307 1.00 0.00 C ATOM 1599 CE2 PHE A 134 -4.143 0.051 -1.559 1.00 0.00 C ATOM 1600 CZ PHE A 134 -5.521 0.067 -1.469 1.00 0.00 C ATOM 0 H PHE A 134 -4.936 -5.013 -2.828 1.00 0.00 H new ATOM 0 HA PHE A 134 -2.490 -3.437 -3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -4.011 -4.386 -0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -2.493 -3.513 -0.661 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -6.079 -3.236 -1.110 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -2.384 -1.158 -1.563 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -7.292 -1.105 -1.236 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -3.598 0.975 -1.684 1.00 0.00 H new ATOM 0 HZ PHE A 134 -6.056 1.004 -1.525 1.00 0.00 H new ATOM 1610 N ARG A 135 -2.164 -6.323 -3.442 1.00 0.00 N ATOM 1611 CA ARG A 135 -1.527 -7.640 -3.376 1.00 0.00 C ATOM 1612 C ARG A 135 -0.078 -7.574 -2.909 1.00 0.00 C ATOM 1613 O ARG A 135 0.706 -6.737 -3.359 1.00 0.00 O ATOM 1614 CB ARG A 135 -1.560 -8.270 -4.776 1.00 0.00 C ATOM 1615 CG ARG A 135 -1.056 -9.707 -4.837 1.00 0.00 C ATOM 1616 CD ARG A 135 -1.034 -10.227 -6.266 1.00 0.00 C ATOM 1617 NE ARG A 135 -0.690 -11.650 -6.334 1.00 0.00 N ATOM 1618 CZ ARG A 135 -0.179 -12.243 -7.413 1.00 0.00 C ATOM 1619 NH1 ARG A 135 0.123 -11.530 -8.489 1.00 0.00 N ATOM 1620 NH2 ARG A 135 0.047 -13.551 -7.408 1.00 0.00 N ATOM 0 H ARG A 135 -2.683 -6.167 -4.306 1.00 0.00 H new ATOM 0 HA ARG A 135 -2.080 -8.235 -2.649 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -2.584 -8.242 -5.149 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -0.959 -7.659 -5.449 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -0.053 -9.761 -4.413 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -1.695 -10.345 -4.226 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -2.011 -10.069 -6.723 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -0.313 -9.653 -6.848 1.00 0.00 H new ATOM 0 HE ARG A 135 -0.851 -12.222 -5.505 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -0.035 -10.522 -8.494 1.00 0.00 H new ATOM 0 HH12 ARG A 135 0.514 -11.989 -9.312 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -0.170 -14.103 -6.578 1.00 0.00 H new ATOM 0 HH22 ARG A 135 0.438 -14.004 -8.234 1.00 0.00 H new