USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 HIS : no HD1:sc= -0.0707 X(o=-0.071,f=-0.21) USER MOD Single : A 1 HIS N :NH3+ -111:sc= 0.107 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 152:sc= -0.0903 (180deg=-0.987) USER MOD Single : A 8 TYR OH : rot -25:sc= 1.44 USER MOD Single : A 9 TYR OH : rot 130:sc= -0.08 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 17 ASN : amide:sc= -0.014 K(o=-0.014,f=-1.2) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -1.42 F(o=-3.2,f=-1.4) USER MOD Single : A 21 LYS NZ :NH3+ -169:sc=-0.00202 (180deg=-0.102) USER MOD Single : A 24 LYS NZ :NH3+ 159:sc= -0.422 (180deg=-1.18) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc=-0.00549 (180deg=-0.123) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.362 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.26) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc=-0.00446 (180deg=-0.0869) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-4.3) USER MOD Single : A 38 THR OG1 : rot -44:sc= 0.027 USER MOD Single : A 39 ASN : amide:sc= -2.96! C(o=-3!,f=-4.6!) USER MOD Single : A 40 LYS NZ :NH3+ 152:sc= 0.519 (180deg=0.168) USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0108) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= -0.0762 (180deg=-0.0762) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -74:sc= 0.498 USER MOD Single : A 51 GLN : amide:sc= -0.862 X(o=-0.86,f=-0.79) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.733 USER MOD Single : A 60 SER OG : rot -12:sc= 0.261! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.755 X(o=-0.76,f=-0.45) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -1.391 2.997 2.702 1.00 64.52 N ATOM 2 CA HIS A 1 -2.259 2.723 1.562 1.00 31.35 C ATOM 3 C HIS A 1 -2.249 1.237 1.217 1.00 73.34 C ATOM 4 O HIS A 1 -1.512 0.455 1.817 1.00 40.15 O ATOM 5 CB HIS A 1 -1.819 3.543 0.350 1.00 40.41 C ATOM 6 CG HIS A 1 -2.112 5.006 0.478 1.00 15.43 C ATOM 7 ND1 HIS A 1 -3.225 5.497 1.129 1.00 21.41 N ATOM 8 CD2 HIS A 1 -1.430 6.088 0.036 1.00 1.52 C ATOM 9 CE1 HIS A 1 -3.215 6.817 1.080 1.00 21.33 C ATOM 10 NE2 HIS A 1 -2.136 7.201 0.423 1.00 43.11 N ATOM 0 H1 HIS A 1 -1.970 3.266 3.523 1.00 64.52 H new ATOM 0 H2 HIS A 1 -0.840 2.145 2.932 1.00 64.52 H new ATOM 0 H3 HIS A 1 -0.743 3.775 2.466 1.00 64.52 H new ATOM 0 HA HIS A 1 -3.275 3.008 1.834 1.00 31.35 H new ATOM 0 HB2 HIS A 1 -0.748 3.407 0.199 1.00 40.41 H new ATOM 0 HB3 HIS A 1 -2.317 3.158 -0.539 1.00 40.41 H new ATOM 0 HD2 HIS A 1 -0.503 6.078 -0.518 1.00 1.52 H new ATOM 0 HE1 HIS A 1 -3.962 7.471 1.505 1.00 21.33 H new ATOM 0 HE2 HIS A 1 -1.870 8.167 0.234 1.00 43.11 H new ATOM 18 N MET A 2 -3.073 0.854 0.246 1.00 11.43 N ATOM 19 CA MET A 2 -3.158 -0.538 -0.179 1.00 52.10 C ATOM 20 C MET A 2 -3.536 -0.634 -1.654 1.00 12.43 C ATOM 21 O MET A 2 -4.423 0.079 -2.125 1.00 53.03 O ATOM 22 CB MET A 2 -4.182 -1.292 0.672 1.00 51.31 C ATOM 23 CG MET A 2 -5.573 -0.680 0.632 1.00 32.23 C ATOM 24 SD MET A 2 -6.703 -1.447 1.810 1.00 3.24 S ATOM 25 CE MET A 2 -6.588 -0.302 3.183 1.00 15.01 C ATOM 0 H MET A 2 -3.691 1.488 -0.261 1.00 11.43 H new ATOM 0 HA MET A 2 -2.177 -0.994 -0.043 1.00 52.10 H new ATOM 0 HB2 MET A 2 -4.238 -2.325 0.328 1.00 51.31 H new ATOM 0 HB3 MET A 2 -3.835 -1.318 1.705 1.00 51.31 H new ATOM 0 HG2 MET A 2 -5.503 0.387 0.844 1.00 32.23 H new ATOM 0 HG3 MET A 2 -5.981 -0.779 -0.374 1.00 32.23 H new ATOM 0 HE1 MET A 2 -7.233 -0.640 3.994 1.00 15.01 H new ATOM 0 HE2 MET A 2 -5.557 -0.257 3.534 1.00 15.01 H new ATOM 0 HE3 MET A 2 -6.904 0.689 2.858 1.00 15.01 H new ATOM 35 N LEU A 3 -2.858 -1.518 -2.377 1.00 51.43 N ATOM 36 CA LEU A 3 -3.123 -1.706 -3.799 1.00 61.35 C ATOM 37 C LEU A 3 -4.412 -2.494 -4.014 1.00 5.23 C ATOM 38 O LEU A 3 -4.636 -3.521 -3.375 1.00 32.22 O ATOM 39 CB LEU A 3 -1.952 -2.432 -4.464 1.00 42.14 C ATOM 40 CG LEU A 3 -0.719 -1.580 -4.767 1.00 41.40 C ATOM 41 CD1 LEU A 3 0.039 -1.264 -3.487 1.00 0.21 C ATOM 42 CD2 LEU A 3 0.187 -2.287 -5.765 1.00 32.15 C ATOM 0 H LEU A 3 -2.121 -2.116 -2.002 1.00 51.43 H new ATOM 0 HA LEU A 3 -3.240 -0.723 -4.255 1.00 61.35 H new ATOM 0 HB2 LEU A 3 -1.649 -3.257 -3.820 1.00 42.14 H new ATOM 0 HB3 LEU A 3 -2.305 -2.870 -5.398 1.00 42.14 H new ATOM 0 HG LEU A 3 -1.050 -0.641 -5.210 1.00 41.40 H new ATOM 0 HD11 LEU A 3 0.913 -0.657 -3.722 1.00 0.21 H new ATOM 0 HD12 LEU A 3 -0.611 -0.715 -2.805 1.00 0.21 H new ATOM 0 HD13 LEU A 3 0.359 -2.193 -3.015 1.00 0.21 H new ATOM 0 HD21 LEU A 3 1.059 -1.666 -5.968 1.00 32.15 H new ATOM 0 HD22 LEU A 3 0.510 -3.242 -5.350 1.00 32.15 H new ATOM 0 HD23 LEU A 3 -0.359 -2.461 -6.692 1.00 32.15 H new ATOM 54 N ALA A 4 -5.254 -2.006 -4.918 1.00 43.45 N ATOM 55 CA ALA A 4 -6.518 -2.666 -5.220 1.00 43.12 C ATOM 56 C ALA A 4 -6.302 -3.882 -6.115 1.00 50.30 C ATOM 57 O ALA A 4 -5.442 -3.873 -6.996 1.00 54.54 O ATOM 58 CB ALA A 4 -7.480 -1.688 -5.878 1.00 70.11 C ATOM 0 H ALA A 4 -5.084 -1.155 -5.454 1.00 43.45 H new ATOM 0 HA ALA A 4 -6.953 -3.011 -4.282 1.00 43.12 H new ATOM 0 HB1 ALA A 4 -8.420 -2.194 -6.098 1.00 70.11 H new ATOM 0 HB2 ALA A 4 -7.667 -0.852 -5.204 1.00 70.11 H new ATOM 0 HB3 ALA A 4 -7.043 -1.316 -6.805 1.00 70.11 H new ATOM 64 N LYS A 5 -7.087 -4.928 -5.883 1.00 33.12 N ATOM 65 CA LYS A 5 -6.983 -6.152 -6.668 1.00 34.43 C ATOM 66 C LYS A 5 -7.652 -5.985 -8.029 1.00 3.45 C ATOM 67 O LYS A 5 -8.665 -5.297 -8.151 1.00 70.53 O ATOM 68 CB LYS A 5 -7.622 -7.321 -5.915 1.00 34.35 C ATOM 69 CG LYS A 5 -6.692 -7.979 -4.910 1.00 61.44 C ATOM 70 CD LYS A 5 -5.691 -8.895 -5.595 1.00 31.43 C ATOM 71 CE LYS A 5 -6.231 -10.312 -5.726 1.00 4.55 C ATOM 72 NZ LYS A 5 -7.015 -10.493 -6.979 1.00 4.24 N ATOM 0 H LYS A 5 -7.803 -4.953 -5.157 1.00 33.12 H new ATOM 0 HA LYS A 5 -5.925 -6.363 -6.826 1.00 34.43 H new ATOM 0 HB2 LYS A 5 -8.511 -6.965 -5.395 1.00 34.35 H new ATOM 0 HB3 LYS A 5 -7.952 -8.069 -6.636 1.00 34.35 H new ATOM 0 HG2 LYS A 5 -6.160 -7.211 -4.348 1.00 61.44 H new ATOM 0 HG3 LYS A 5 -7.278 -8.551 -4.191 1.00 61.44 H new ATOM 0 HD2 LYS A 5 -5.454 -8.502 -6.584 1.00 31.43 H new ATOM 0 HD3 LYS A 5 -4.761 -8.910 -5.026 1.00 31.43 H new ATOM 0 HE2 LYS A 5 -5.402 -11.019 -5.711 1.00 4.55 H new ATOM 0 HE3 LYS A 5 -6.861 -10.541 -4.867 1.00 4.55 H new ATOM 0 HZ1 LYS A 5 -6.963 -11.487 -7.281 1.00 4.24 H new ATOM 0 HZ2 LYS A 5 -8.008 -10.235 -6.808 1.00 4.24 H new ATOM 0 HZ3 LYS A 5 -6.623 -9.884 -7.725 1.00 4.24 H new ATOM 86 N GLU A 6 -7.078 -6.618 -9.047 1.00 20.12 N ATOM 87 CA GLU A 6 -7.620 -6.538 -10.398 1.00 61.32 C ATOM 88 C GLU A 6 -8.427 -7.789 -10.735 1.00 51.34 C ATOM 89 O GLU A 6 -8.179 -8.866 -10.193 1.00 0.31 O ATOM 90 CB GLU A 6 -6.491 -6.357 -11.415 1.00 24.53 C ATOM 91 CG GLU A 6 -5.859 -4.976 -11.384 1.00 14.32 C ATOM 92 CD GLU A 6 -6.663 -3.950 -12.160 1.00 4.14 C ATOM 93 OE1 GLU A 6 -6.058 -2.983 -12.667 1.00 41.44 O ATOM 94 OE2 GLU A 6 -7.897 -4.115 -12.259 1.00 25.30 O ATOM 0 H GLU A 6 -6.239 -7.191 -8.962 1.00 20.12 H new ATOM 0 HA GLU A 6 -8.283 -5.674 -10.445 1.00 61.32 H new ATOM 0 HB2 GLU A 6 -5.720 -7.104 -11.226 1.00 24.53 H new ATOM 0 HB3 GLU A 6 -6.881 -6.547 -12.415 1.00 24.53 H new ATOM 0 HG2 GLU A 6 -5.761 -4.648 -10.349 1.00 14.32 H new ATOM 0 HG3 GLU A 6 -4.852 -5.032 -11.798 1.00 14.32 H new ATOM 101 N ASP A 7 -9.394 -7.637 -11.634 1.00 0.14 N ATOM 102 CA ASP A 7 -10.238 -8.753 -12.044 1.00 51.03 C ATOM 103 C ASP A 7 -10.076 -9.037 -13.534 1.00 61.42 C ATOM 104 O ASP A 7 -9.667 -8.166 -14.302 1.00 54.10 O ATOM 105 CB ASP A 7 -11.704 -8.455 -11.726 1.00 32.42 C ATOM 106 CG ASP A 7 -12.429 -9.659 -11.157 1.00 22.33 C ATOM 107 OD1 ASP A 7 -12.058 -10.797 -11.512 1.00 25.32 O ATOM 108 OD2 ASP A 7 -13.368 -9.463 -10.357 1.00 21.53 O ATOM 0 H ASP A 7 -9.612 -6.752 -12.092 1.00 0.14 H new ATOM 0 HA ASP A 7 -9.926 -9.637 -11.487 1.00 51.03 H new ATOM 0 HB2 ASP A 7 -11.758 -7.632 -11.014 1.00 32.42 H new ATOM 0 HB3 ASP A 7 -12.210 -8.125 -12.633 1.00 32.42 H new ATOM 113 N TYR A 8 -10.397 -10.262 -13.936 1.00 34.13 N ATOM 114 CA TYR A 8 -10.284 -10.663 -15.333 1.00 40.31 C ATOM 115 C TYR A 8 -11.034 -9.693 -16.241 1.00 15.25 C ATOM 116 O TYR A 8 -10.594 -9.397 -17.352 1.00 32.32 O ATOM 117 CB TYR A 8 -10.825 -12.080 -15.525 1.00 34.45 C ATOM 118 CG TYR A 8 -10.268 -13.080 -14.537 1.00 23.22 C ATOM 119 CD1 TYR A 8 -11.084 -14.046 -13.960 1.00 2.40 C ATOM 120 CD2 TYR A 8 -8.925 -13.059 -14.180 1.00 12.15 C ATOM 121 CE1 TYR A 8 -10.579 -14.961 -13.056 1.00 41.35 C ATOM 122 CE2 TYR A 8 -8.411 -13.971 -13.278 1.00 54.11 C ATOM 123 CZ TYR A 8 -9.242 -14.920 -12.719 1.00 52.42 C ATOM 124 OH TYR A 8 -8.734 -15.829 -11.820 1.00 15.12 O ATOM 0 H TYR A 8 -10.738 -10.995 -13.314 1.00 34.13 H new ATOM 0 HA TYR A 8 -9.229 -10.645 -15.605 1.00 40.31 H new ATOM 0 HB2 TYR A 8 -11.911 -12.060 -15.436 1.00 34.45 H new ATOM 0 HB3 TYR A 8 -10.594 -12.414 -16.537 1.00 34.45 H new ATOM 0 HD1 TYR A 8 -12.131 -14.082 -14.223 1.00 2.40 H new ATOM 0 HD2 TYR A 8 -8.272 -12.317 -14.615 1.00 12.15 H new ATOM 0 HE1 TYR A 8 -11.227 -15.704 -12.616 1.00 41.35 H new ATOM 0 HE2 TYR A 8 -7.365 -13.941 -13.012 1.00 54.11 H new ATOM 0 HH TYR A 8 -9.453 -16.147 -11.234 1.00 15.12 H new ATOM 134 N TYR A 9 -12.170 -9.200 -15.758 1.00 60.33 N ATOM 135 CA TYR A 9 -12.984 -8.265 -16.525 1.00 50.21 C ATOM 136 C TYR A 9 -12.144 -7.093 -17.024 1.00 23.22 C ATOM 137 O TYR A 9 -12.203 -6.729 -18.198 1.00 14.54 O ATOM 138 CB TYR A 9 -14.144 -7.748 -15.673 1.00 34.43 C ATOM 139 CG TYR A 9 -14.999 -8.848 -15.084 1.00 12.33 C ATOM 140 CD1 TYR A 9 -14.793 -9.295 -13.785 1.00 1.14 C ATOM 141 CD2 TYR A 9 -16.014 -9.439 -15.826 1.00 52.55 C ATOM 142 CE1 TYR A 9 -15.571 -10.299 -13.243 1.00 31.50 C ATOM 143 CE2 TYR A 9 -16.798 -10.443 -15.292 1.00 53.24 C ATOM 144 CZ TYR A 9 -16.573 -10.870 -14.001 1.00 24.14 C ATOM 145 OH TYR A 9 -17.351 -11.870 -13.464 1.00 61.11 O ATOM 0 H TYR A 9 -12.547 -9.433 -14.839 1.00 60.33 H new ATOM 0 HA TYR A 9 -13.384 -8.796 -17.389 1.00 50.21 H new ATOM 0 HB2 TYR A 9 -13.745 -7.136 -14.864 1.00 34.43 H new ATOM 0 HB3 TYR A 9 -14.772 -7.099 -16.284 1.00 34.43 H new ATOM 0 HD1 TYR A 9 -14.011 -8.850 -13.188 1.00 1.14 H new ATOM 0 HD2 TYR A 9 -16.193 -9.108 -16.838 1.00 52.55 H new ATOM 0 HE1 TYR A 9 -15.396 -10.635 -12.232 1.00 31.50 H new ATOM 0 HE2 TYR A 9 -17.583 -10.891 -15.883 1.00 53.24 H new ATOM 0 HH TYR A 9 -18.298 -11.659 -13.604 1.00 61.11 H new ATOM 155 N GLN A 10 -11.361 -6.509 -16.122 1.00 51.13 N ATOM 156 CA GLN A 10 -10.508 -5.378 -16.470 1.00 32.51 C ATOM 157 C GLN A 10 -9.318 -5.832 -17.309 1.00 31.21 C ATOM 158 O GLN A 10 -8.917 -5.151 -18.253 1.00 62.53 O ATOM 159 CB GLN A 10 -10.016 -4.675 -15.204 1.00 32.43 C ATOM 160 CG GLN A 10 -11.071 -3.802 -14.544 1.00 0.21 C ATOM 161 CD GLN A 10 -11.924 -4.566 -13.551 1.00 31.20 C ATOM 162 OE1 GLN A 10 -11.419 -5.098 -12.562 1.00 35.42 O ATOM 163 NE2 GLN A 10 -13.225 -4.625 -13.810 1.00 12.33 N ATOM 0 H GLN A 10 -11.300 -6.800 -15.146 1.00 51.13 H new ATOM 0 HA GLN A 10 -11.099 -4.677 -17.060 1.00 32.51 H new ATOM 0 HB2 GLN A 10 -9.679 -5.426 -14.489 1.00 32.43 H new ATOM 0 HB3 GLN A 10 -9.151 -4.060 -15.453 1.00 32.43 H new ATOM 0 HG2 GLN A 10 -10.583 -2.972 -14.034 1.00 0.21 H new ATOM 0 HG3 GLN A 10 -11.713 -3.371 -15.312 1.00 0.21 H new ATOM 0 HE21 GLN A 10 -13.601 -4.169 -14.642 1.00 12.33 H new ATOM 0 HE22 GLN A 10 -13.849 -5.126 -13.177 1.00 12.33 H new ATOM 172 N ILE A 11 -8.758 -6.985 -16.958 1.00 13.12 N ATOM 173 CA ILE A 11 -7.615 -7.529 -17.679 1.00 64.12 C ATOM 174 C ILE A 11 -7.953 -7.768 -19.147 1.00 35.13 C ATOM 175 O ILE A 11 -7.067 -7.808 -20.001 1.00 74.04 O ATOM 176 CB ILE A 11 -7.132 -8.851 -17.054 1.00 5.03 C ATOM 177 CG1 ILE A 11 -6.747 -8.636 -15.588 1.00 63.44 C ATOM 178 CG2 ILE A 11 -5.955 -9.410 -17.840 1.00 1.04 C ATOM 179 CD1 ILE A 11 -6.583 -9.924 -14.812 1.00 22.20 C ATOM 0 H ILE A 11 -9.078 -7.560 -16.179 1.00 13.12 H new ATOM 0 HA ILE A 11 -6.817 -6.790 -17.608 1.00 64.12 H new ATOM 0 HB ILE A 11 -7.947 -9.574 -17.094 1.00 5.03 H new ATOM 0 HG12 ILE A 11 -5.814 -8.074 -15.544 1.00 63.44 H new ATOM 0 HG13 ILE A 11 -7.510 -8.025 -15.106 1.00 63.44 H new ATOM 0 HG21 ILE A 11 -5.625 -10.344 -17.386 1.00 1.04 H new ATOM 0 HG22 ILE A 11 -6.260 -9.595 -18.870 1.00 1.04 H new ATOM 0 HG23 ILE A 11 -5.135 -8.692 -17.828 1.00 1.04 H new ATOM 0 HD11 ILE A 11 -6.310 -9.696 -13.782 1.00 22.20 H new ATOM 0 HD12 ILE A 11 -7.521 -10.478 -14.825 1.00 22.20 H new ATOM 0 HD13 ILE A 11 -5.799 -10.527 -15.270 1.00 22.20 H new ATOM 191 N LEU A 12 -9.241 -7.925 -19.433 1.00 12.03 N ATOM 192 CA LEU A 12 -9.699 -8.158 -20.798 1.00 62.12 C ATOM 193 C LEU A 12 -10.409 -6.927 -21.352 1.00 60.12 C ATOM 194 O LEU A 12 -10.615 -6.807 -22.559 1.00 71.41 O ATOM 195 CB LEU A 12 -10.637 -9.366 -20.844 1.00 3.35 C ATOM 196 CG LEU A 12 -9.970 -10.726 -21.050 1.00 22.14 C ATOM 197 CD1 LEU A 12 -10.987 -11.847 -20.901 1.00 62.10 C ATOM 198 CD2 LEU A 12 -9.299 -10.790 -22.414 1.00 4.12 C ATOM 0 H LEU A 12 -9.987 -7.895 -18.738 1.00 12.03 H new ATOM 0 HA LEU A 12 -8.826 -8.361 -21.418 1.00 62.12 H new ATOM 0 HB2 LEU A 12 -11.202 -9.398 -19.912 1.00 3.35 H new ATOM 0 HB3 LEU A 12 -11.357 -9.211 -21.648 1.00 3.35 H new ATOM 0 HG LEU A 12 -9.204 -10.853 -20.285 1.00 22.14 H new ATOM 0 HD11 LEU A 12 -10.494 -12.808 -21.051 1.00 62.10 H new ATOM 0 HD12 LEU A 12 -11.421 -11.814 -19.902 1.00 62.10 H new ATOM 0 HD13 LEU A 12 -11.776 -11.724 -21.643 1.00 62.10 H new ATOM 0 HD21 LEU A 12 -8.829 -11.765 -22.543 1.00 4.12 H new ATOM 0 HD22 LEU A 12 -10.045 -10.641 -23.194 1.00 4.12 H new ATOM 0 HD23 LEU A 12 -8.541 -10.010 -22.483 1.00 4.12 H new ATOM 210 N GLY A 13 -10.779 -6.012 -20.461 1.00 33.51 N ATOM 211 CA GLY A 13 -11.460 -4.801 -20.880 1.00 34.50 C ATOM 212 C GLY A 13 -12.929 -5.034 -21.174 1.00 31.41 C ATOM 213 O GLY A 13 -13.530 -4.320 -21.976 1.00 52.22 O ATOM 0 H GLY A 13 -10.619 -6.088 -19.456 1.00 33.51 H new ATOM 0 HA2 GLY A 13 -11.364 -4.046 -20.100 1.00 34.50 H new ATOM 0 HA3 GLY A 13 -10.973 -4.404 -21.770 1.00 34.50 H new ATOM 217 N VAL A 14 -13.509 -6.039 -20.524 1.00 51.42 N ATOM 218 CA VAL A 14 -14.917 -6.365 -20.720 1.00 44.44 C ATOM 219 C VAL A 14 -15.721 -6.114 -19.450 1.00 11.20 C ATOM 220 O VAL A 14 -15.204 -6.178 -18.335 1.00 25.52 O ATOM 221 CB VAL A 14 -15.098 -7.833 -21.148 1.00 52.04 C ATOM 222 CG1 VAL A 14 -14.340 -8.111 -22.437 1.00 63.51 C ATOM 223 CG2 VAL A 14 -14.645 -8.771 -20.040 1.00 4.42 C ATOM 0 H VAL A 14 -13.026 -6.641 -19.858 1.00 51.42 H new ATOM 0 HA VAL A 14 -15.285 -5.715 -21.514 1.00 44.44 H new ATOM 0 HB VAL A 14 -16.157 -8.011 -21.332 1.00 52.04 H new ATOM 0 HG11 VAL A 14 -14.480 -9.153 -22.724 1.00 63.51 H new ATOM 0 HG12 VAL A 14 -14.718 -7.463 -23.228 1.00 63.51 H new ATOM 0 HG13 VAL A 14 -13.279 -7.916 -22.284 1.00 63.51 H new ATOM 0 HG21 VAL A 14 -14.780 -9.804 -20.360 1.00 4.42 H new ATOM 0 HG22 VAL A 14 -13.592 -8.594 -19.821 1.00 4.42 H new ATOM 0 HG23 VAL A 14 -15.238 -8.588 -19.144 1.00 4.42 H new ATOM 233 N PRO A 15 -17.019 -5.821 -19.620 1.00 1.43 N ATOM 234 CA PRO A 15 -17.924 -5.555 -18.497 1.00 61.05 C ATOM 235 C PRO A 15 -18.213 -6.807 -17.677 1.00 71.51 C ATOM 236 O PRO A 15 -17.784 -7.906 -18.031 1.00 51.33 O ATOM 237 CB PRO A 15 -19.200 -5.057 -19.181 1.00 2.12 C ATOM 238 CG PRO A 15 -19.157 -5.655 -20.545 1.00 13.04 C ATOM 239 CD PRO A 15 -17.703 -5.726 -20.920 1.00 70.53 C ATOM 0 HA PRO A 15 -17.498 -4.844 -17.789 1.00 61.05 H new ATOM 0 HB2 PRO A 15 -20.090 -5.374 -18.638 1.00 2.12 H new ATOM 0 HB3 PRO A 15 -19.226 -3.968 -19.227 1.00 2.12 H new ATOM 0 HG2 PRO A 15 -19.610 -6.646 -20.551 1.00 13.04 H new ATOM 0 HG3 PRO A 15 -19.714 -5.045 -21.256 1.00 13.04 H new ATOM 0 HD2 PRO A 15 -17.492 -6.591 -21.549 1.00 70.53 H new ATOM 0 HD3 PRO A 15 -17.388 -4.843 -21.476 1.00 70.53 H new ATOM 247 N ARG A 16 -18.943 -6.635 -16.580 1.00 73.11 N ATOM 248 CA ARG A 16 -19.289 -7.752 -15.709 1.00 70.02 C ATOM 249 C ARG A 16 -20.445 -8.559 -16.293 1.00 13.22 C ATOM 250 O ARG A 16 -20.788 -9.626 -15.786 1.00 61.35 O ATOM 251 CB ARG A 16 -19.660 -7.243 -14.315 1.00 75.41 C ATOM 252 CG ARG A 16 -18.597 -6.358 -13.686 1.00 62.33 C ATOM 253 CD ARG A 16 -17.408 -7.174 -13.202 1.00 72.12 C ATOM 254 NE ARG A 16 -17.592 -7.650 -11.834 1.00 20.03 N ATOM 255 CZ ARG A 16 -17.576 -6.854 -10.770 1.00 71.04 C ATOM 256 NH1 ARG A 16 -17.386 -5.550 -10.917 1.00 75.01 N ATOM 257 NH2 ARG A 16 -17.751 -7.362 -9.557 1.00 62.11 N ATOM 0 H ARG A 16 -19.306 -5.733 -16.273 1.00 73.11 H new ATOM 0 HA ARG A 16 -18.418 -8.403 -15.630 1.00 70.02 H new ATOM 0 HB2 ARG A 16 -20.594 -6.685 -14.378 1.00 75.41 H new ATOM 0 HB3 ARG A 16 -19.842 -8.097 -13.662 1.00 75.41 H new ATOM 0 HG2 ARG A 16 -18.261 -5.619 -14.413 1.00 62.33 H new ATOM 0 HG3 ARG A 16 -19.028 -5.809 -12.849 1.00 62.33 H new ATOM 0 HD2 ARG A 16 -17.259 -8.026 -13.865 1.00 72.12 H new ATOM 0 HD3 ARG A 16 -16.505 -6.566 -13.256 1.00 72.12 H new ATOM 0 HE ARG A 16 -17.741 -8.648 -11.687 1.00 20.03 H new ATOM 0 HH11 ARG A 16 -17.252 -5.156 -11.848 1.00 75.01 H new ATOM 0 HH12 ARG A 16 -17.374 -4.941 -10.099 1.00 75.01 H new ATOM 0 HH21 ARG A 16 -17.898 -8.365 -9.440 1.00 62.11 H new ATOM 0 HH22 ARG A 16 -17.738 -6.750 -8.741 1.00 62.11 H new ATOM 271 N ASN A 17 -21.043 -8.040 -17.361 1.00 4.34 N ATOM 272 CA ASN A 17 -22.161 -8.711 -18.013 1.00 32.14 C ATOM 273 C ASN A 17 -21.775 -9.176 -19.413 1.00 60.04 C ATOM 274 O ASN A 17 -22.605 -9.701 -20.155 1.00 40.42 O ATOM 275 CB ASN A 17 -23.370 -7.776 -18.089 1.00 30.35 C ATOM 276 CG ASN A 17 -23.968 -7.493 -16.724 1.00 55.02 C ATOM 277 OD1 ASN A 17 -23.792 -8.267 -15.784 1.00 22.54 O ATOM 278 ND2 ASN A 17 -24.681 -6.378 -16.611 1.00 34.41 N ATOM 0 H ASN A 17 -20.772 -7.157 -17.793 1.00 4.34 H new ATOM 0 HA ASN A 17 -22.424 -9.586 -17.419 1.00 32.14 H new ATOM 0 HB2 ASN A 17 -23.071 -6.836 -18.554 1.00 30.35 H new ATOM 0 HB3 ASN A 17 -24.130 -8.221 -18.731 1.00 30.35 H new ATOM 0 HD21 ASN A 17 -25.109 -6.135 -15.718 1.00 34.41 H new ATOM 0 HD22 ASN A 17 -24.801 -5.765 -17.418 1.00 34.41 H new ATOM 285 N ALA A 18 -20.509 -8.980 -19.768 1.00 12.01 N ATOM 286 CA ALA A 18 -20.012 -9.381 -21.078 1.00 60.30 C ATOM 287 C ALA A 18 -20.319 -10.849 -21.356 1.00 25.04 C ATOM 288 O ALA A 18 -20.573 -11.625 -20.434 1.00 54.35 O ATOM 289 CB ALA A 18 -18.515 -9.125 -21.176 1.00 34.13 C ATOM 0 H ALA A 18 -19.809 -8.546 -19.166 1.00 12.01 H new ATOM 0 HA ALA A 18 -20.522 -8.781 -21.832 1.00 60.30 H new ATOM 0 HB1 ALA A 18 -18.157 -9.429 -22.160 1.00 34.13 H new ATOM 0 HB2 ALA A 18 -18.317 -8.063 -21.030 1.00 34.13 H new ATOM 0 HB3 ALA A 18 -17.997 -9.699 -20.408 1.00 34.13 H new ATOM 295 N SER A 19 -20.293 -11.223 -22.631 1.00 22.32 N ATOM 296 CA SER A 19 -20.573 -12.598 -23.030 1.00 4.32 C ATOM 297 C SER A 19 -19.296 -13.305 -23.473 1.00 62.25 C ATOM 298 O SER A 19 -18.266 -12.668 -23.694 1.00 30.42 O ATOM 299 CB SER A 19 -21.603 -12.623 -24.161 1.00 24.12 C ATOM 300 OG SER A 19 -22.739 -11.843 -23.833 1.00 12.10 O ATOM 0 H SER A 19 -20.081 -10.594 -23.405 1.00 22.32 H new ATOM 0 HA SER A 19 -20.979 -13.126 -22.167 1.00 4.32 H new ATOM 0 HB2 SER A 19 -21.151 -12.245 -25.078 1.00 24.12 H new ATOM 0 HB3 SER A 19 -21.908 -13.651 -24.357 1.00 24.12 H new ATOM 0 HG SER A 19 -23.382 -11.874 -24.572 1.00 12.10 H new ATOM 306 N GLN A 20 -19.373 -14.626 -23.602 1.00 3.21 N ATOM 307 CA GLN A 20 -18.223 -15.421 -24.018 1.00 53.54 C ATOM 308 C GLN A 20 -17.765 -15.023 -25.417 1.00 43.35 C ATOM 309 O GLN A 20 -16.595 -15.181 -25.768 1.00 20.04 O ATOM 310 CB GLN A 20 -18.568 -16.910 -23.986 1.00 72.52 C ATOM 311 CG GLN A 20 -19.308 -17.337 -22.729 1.00 13.43 C ATOM 312 CD GLN A 20 -18.737 -16.707 -21.474 1.00 14.54 C ATOM 313 OE1 GLN A 20 -17.689 -17.314 -20.930 1.00 51.02 O flip ATOM 314 NE2 GLN A 20 -19.233 -15.685 -20.997 1.00 40.12 N flip ATOM 0 H GLN A 20 -20.219 -15.168 -23.425 1.00 3.21 H new ATOM 0 HA GLN A 20 -17.408 -15.229 -23.320 1.00 53.54 H new ATOM 0 HB2 GLN A 20 -19.178 -17.152 -24.856 1.00 72.52 H new ATOM 0 HB3 GLN A 20 -17.649 -17.489 -24.071 1.00 72.52 H new ATOM 0 HG2 GLN A 20 -20.360 -17.066 -22.821 1.00 13.43 H new ATOM 0 HG3 GLN A 20 -19.266 -18.422 -22.638 1.00 13.43 H new ATOM 0 HE21 GLN A 20 -20.039 -15.251 -21.448 1.00 40.12 H new ATOM 0 HE22 GLN A 20 -18.838 -15.273 -20.152 1.00 40.12 H new ATOM 323 N LYS A 21 -18.694 -14.506 -26.214 1.00 44.35 N ATOM 324 CA LYS A 21 -18.386 -14.084 -27.576 1.00 1.11 C ATOM 325 C LYS A 21 -17.680 -12.731 -27.580 1.00 75.41 C ATOM 326 O LYS A 21 -16.719 -12.526 -28.320 1.00 0.32 O ATOM 327 CB LYS A 21 -19.667 -14.005 -28.409 1.00 61.43 C ATOM 328 CG LYS A 21 -19.433 -13.570 -29.845 1.00 45.34 C ATOM 329 CD LYS A 21 -18.679 -14.628 -30.633 1.00 71.23 C ATOM 330 CE LYS A 21 -18.506 -14.222 -32.089 1.00 0.43 C ATOM 331 NZ LYS A 21 -19.801 -14.227 -32.824 1.00 20.00 N ATOM 0 H LYS A 21 -19.667 -14.369 -25.940 1.00 44.35 H new ATOM 0 HA LYS A 21 -17.718 -14.824 -28.017 1.00 1.11 H new ATOM 0 HB2 LYS A 21 -20.152 -14.981 -28.408 1.00 61.43 H new ATOM 0 HB3 LYS A 21 -20.356 -13.307 -27.934 1.00 61.43 H new ATOM 0 HG2 LYS A 21 -20.390 -13.370 -30.326 1.00 45.34 H new ATOM 0 HG3 LYS A 21 -18.870 -12.637 -29.856 1.00 45.34 H new ATOM 0 HD2 LYS A 21 -17.701 -14.791 -30.181 1.00 71.23 H new ATOM 0 HD3 LYS A 21 -19.217 -15.575 -30.580 1.00 71.23 H new ATOM 0 HE2 LYS A 21 -18.064 -13.227 -32.138 1.00 0.43 H new ATOM 0 HE3 LYS A 21 -17.809 -14.904 -32.576 1.00 0.43 H new ATOM 0 HZ1 LYS A 21 -19.622 -14.129 -33.844 1.00 20.00 H new ATOM 0 HZ2 LYS A 21 -20.299 -15.122 -32.644 1.00 20.00 H new ATOM 0 HZ3 LYS A 21 -20.388 -13.433 -32.498 1.00 20.00 H new ATOM 345 N GLU A 22 -18.164 -11.814 -26.748 1.00 72.14 N ATOM 346 CA GLU A 22 -17.578 -10.482 -26.657 1.00 53.11 C ATOM 347 C GLU A 22 -16.168 -10.546 -26.077 1.00 34.20 C ATOM 348 O GLU A 22 -15.313 -9.723 -26.405 1.00 30.32 O ATOM 349 CB GLU A 22 -18.456 -9.573 -25.794 1.00 43.31 C ATOM 350 CG GLU A 22 -17.867 -8.189 -25.573 1.00 62.54 C ATOM 351 CD GLU A 22 -18.928 -7.138 -25.317 1.00 54.52 C ATOM 352 OE1 GLU A 22 -18.875 -6.487 -24.253 1.00 42.40 O ATOM 353 OE2 GLU A 22 -19.813 -6.965 -26.182 1.00 31.41 O ATOM 0 H GLU A 22 -18.959 -11.969 -26.128 1.00 72.14 H new ATOM 0 HA GLU A 22 -17.519 -10.069 -27.664 1.00 53.11 H new ATOM 0 HB2 GLU A 22 -19.433 -9.472 -26.266 1.00 43.31 H new ATOM 0 HB3 GLU A 22 -18.617 -10.049 -24.827 1.00 43.31 H new ATOM 0 HG2 GLU A 22 -17.181 -8.221 -24.727 1.00 62.54 H new ATOM 0 HG3 GLU A 22 -17.282 -7.904 -26.447 1.00 62.54 H new ATOM 360 N ILE A 23 -15.935 -11.529 -25.214 1.00 5.34 N ATOM 361 CA ILE A 23 -14.629 -11.701 -24.588 1.00 52.12 C ATOM 362 C ILE A 23 -13.593 -12.178 -25.601 1.00 34.25 C ATOM 363 O ILE A 23 -12.426 -11.791 -25.541 1.00 31.32 O ATOM 364 CB ILE A 23 -14.692 -12.705 -23.422 1.00 64.12 C ATOM 365 CG1 ILE A 23 -15.669 -12.216 -22.351 1.00 61.22 C ATOM 366 CG2 ILE A 23 -13.307 -12.913 -22.828 1.00 23.41 C ATOM 367 CD1 ILE A 23 -16.365 -13.337 -21.611 1.00 62.13 C ATOM 0 H ILE A 23 -16.632 -12.218 -24.932 1.00 5.34 H new ATOM 0 HA ILE A 23 -14.333 -10.726 -24.201 1.00 52.12 H new ATOM 0 HB ILE A 23 -15.050 -13.661 -23.804 1.00 64.12 H new ATOM 0 HG12 ILE A 23 -15.129 -11.598 -21.633 1.00 61.22 H new ATOM 0 HG13 ILE A 23 -16.420 -11.579 -22.819 1.00 61.22 H new ATOM 0 HG21 ILE A 23 -13.367 -13.625 -22.005 1.00 23.41 H new ATOM 0 HG22 ILE A 23 -12.637 -13.301 -23.595 1.00 23.41 H new ATOM 0 HG23 ILE A 23 -12.923 -11.962 -22.458 1.00 23.41 H new ATOM 0 HD11 ILE A 23 -17.042 -12.917 -20.867 1.00 62.13 H new ATOM 0 HD12 ILE A 23 -16.933 -13.942 -22.318 1.00 62.13 H new ATOM 0 HD13 ILE A 23 -15.622 -13.961 -21.114 1.00 62.13 H new ATOM 379 N LYS A 24 -14.029 -13.020 -26.532 1.00 25.23 N ATOM 380 CA LYS A 24 -13.141 -13.549 -27.561 1.00 30.14 C ATOM 381 C LYS A 24 -12.536 -12.421 -28.390 1.00 53.20 C ATOM 382 O LYS A 24 -11.363 -12.468 -28.759 1.00 4.50 O ATOM 383 CB LYS A 24 -13.902 -14.515 -28.472 1.00 25.12 C ATOM 384 CG LYS A 24 -14.416 -15.751 -27.754 1.00 13.32 C ATOM 385 CD LYS A 24 -13.529 -16.957 -28.013 1.00 1.40 C ATOM 386 CE LYS A 24 -13.912 -17.663 -29.304 1.00 61.13 C ATOM 387 NZ LYS A 24 -13.285 -17.023 -30.494 1.00 25.43 N ATOM 0 H LYS A 24 -14.992 -13.351 -26.595 1.00 25.23 H new ATOM 0 HA LYS A 24 -12.332 -14.086 -27.067 1.00 30.14 H new ATOM 0 HB2 LYS A 24 -14.745 -13.990 -28.922 1.00 25.12 H new ATOM 0 HB3 LYS A 24 -13.248 -14.824 -29.287 1.00 25.12 H new ATOM 0 HG2 LYS A 24 -14.463 -15.557 -26.682 1.00 13.32 H new ATOM 0 HG3 LYS A 24 -15.432 -15.968 -28.084 1.00 13.32 H new ATOM 0 HD2 LYS A 24 -12.488 -16.639 -28.066 1.00 1.40 H new ATOM 0 HD3 LYS A 24 -13.608 -17.654 -27.179 1.00 1.40 H new ATOM 0 HE2 LYS A 24 -13.607 -18.708 -29.251 1.00 61.13 H new ATOM 0 HE3 LYS A 24 -14.996 -17.653 -29.415 1.00 61.13 H new ATOM 0 HZ1 LYS A 24 -13.264 -17.701 -31.282 1.00 25.43 H new ATOM 0 HZ2 LYS A 24 -13.839 -16.188 -30.771 1.00 25.43 H new ATOM 0 HZ3 LYS A 24 -12.314 -16.733 -30.261 1.00 25.43 H new ATOM 401 N LYS A 25 -13.345 -11.407 -28.679 1.00 45.42 N ATOM 402 CA LYS A 25 -12.889 -10.264 -29.463 1.00 33.24 C ATOM 403 C LYS A 25 -11.975 -9.366 -28.635 1.00 32.41 C ATOM 404 O LYS A 25 -10.899 -8.975 -29.087 1.00 34.15 O ATOM 405 CB LYS A 25 -14.087 -9.459 -29.972 1.00 60.33 C ATOM 406 CG LYS A 25 -14.834 -10.135 -31.109 1.00 14.11 C ATOM 407 CD LYS A 25 -16.314 -9.791 -31.085 1.00 73.12 C ATOM 408 CE LYS A 25 -16.571 -8.395 -31.631 1.00 0.33 C ATOM 409 NZ LYS A 25 -16.392 -8.335 -33.108 1.00 13.32 N ATOM 0 H LYS A 25 -14.319 -11.353 -28.382 1.00 45.42 H new ATOM 0 HA LYS A 25 -12.324 -10.642 -30.315 1.00 33.24 H new ATOM 0 HB2 LYS A 25 -14.777 -9.288 -29.146 1.00 60.33 H new ATOM 0 HB3 LYS A 25 -13.741 -8.481 -30.306 1.00 60.33 H new ATOM 0 HG2 LYS A 25 -14.403 -9.828 -32.062 1.00 14.11 H new ATOM 0 HG3 LYS A 25 -14.709 -11.215 -31.036 1.00 14.11 H new ATOM 0 HD2 LYS A 25 -16.868 -10.521 -31.675 1.00 73.12 H new ATOM 0 HD3 LYS A 25 -16.688 -9.858 -30.063 1.00 73.12 H new ATOM 0 HE2 LYS A 25 -17.585 -8.086 -31.375 1.00 0.33 H new ATOM 0 HE3 LYS A 25 -15.892 -7.688 -31.154 1.00 0.33 H new ATOM 0 HZ1 LYS A 25 -16.783 -7.442 -33.469 1.00 13.32 H new ATOM 0 HZ2 LYS A 25 -15.379 -8.387 -33.337 1.00 13.32 H new ATOM 0 HZ3 LYS A 25 -16.889 -9.134 -33.551 1.00 13.32 H new ATOM 423 N ALA A 26 -12.410 -9.045 -27.421 1.00 32.11 N ATOM 424 CA ALA A 26 -11.629 -8.197 -26.529 1.00 51.34 C ATOM 425 C ALA A 26 -10.295 -8.848 -26.181 1.00 11.12 C ATOM 426 O ALA A 26 -9.298 -8.161 -25.957 1.00 21.44 O ATOM 427 CB ALA A 26 -12.418 -7.894 -25.264 1.00 24.02 C ATOM 0 H ALA A 26 -13.299 -9.359 -27.033 1.00 32.11 H new ATOM 0 HA ALA A 26 -11.421 -7.261 -27.047 1.00 51.34 H new ATOM 0 HB1 ALA A 26 -11.823 -7.260 -24.607 1.00 24.02 H new ATOM 0 HB2 ALA A 26 -13.342 -7.379 -25.526 1.00 24.02 H new ATOM 0 HB3 ALA A 26 -12.655 -8.826 -24.751 1.00 24.02 H new ATOM 433 N TYR A 27 -10.284 -10.175 -26.136 1.00 71.41 N ATOM 434 CA TYR A 27 -9.073 -10.919 -25.811 1.00 63.24 C ATOM 435 C TYR A 27 -8.081 -10.878 -26.970 1.00 71.01 C ATOM 436 O TYR A 27 -6.868 -10.842 -26.763 1.00 61.40 O ATOM 437 CB TYR A 27 -9.416 -12.370 -25.471 1.00 30.34 C ATOM 438 CG TYR A 27 -8.204 -13.263 -25.334 1.00 24.31 C ATOM 439 CD1 TYR A 27 -7.144 -12.907 -24.509 1.00 23.10 C ATOM 440 CD2 TYR A 27 -8.117 -14.462 -26.030 1.00 73.42 C ATOM 441 CE1 TYR A 27 -6.034 -13.719 -24.381 1.00 65.44 C ATOM 442 CE2 TYR A 27 -7.012 -15.282 -25.908 1.00 2.44 C ATOM 443 CZ TYR A 27 -5.972 -14.906 -25.082 1.00 55.33 C ATOM 444 OH TYR A 27 -4.869 -15.718 -24.959 1.00 21.34 O ATOM 0 H TYR A 27 -11.100 -10.758 -26.321 1.00 71.41 H new ATOM 0 HA TYR A 27 -8.611 -10.449 -24.943 1.00 63.24 H new ATOM 0 HB2 TYR A 27 -9.980 -12.392 -24.539 1.00 30.34 H new ATOM 0 HB3 TYR A 27 -10.067 -12.772 -26.247 1.00 30.34 H new ATOM 0 HD1 TYR A 27 -7.189 -11.979 -23.958 1.00 23.10 H new ATOM 0 HD2 TYR A 27 -8.928 -14.759 -26.678 1.00 73.42 H new ATOM 0 HE1 TYR A 27 -5.219 -13.426 -23.736 1.00 65.44 H new ATOM 0 HE2 TYR A 27 -6.962 -16.212 -26.456 1.00 2.44 H new ATOM 0 HH TYR A 27 -4.985 -16.515 -25.518 1.00 21.34 H new ATOM 454 N TYR A 28 -8.607 -10.883 -28.190 1.00 43.30 N ATOM 455 CA TYR A 28 -7.769 -10.848 -29.383 1.00 53.31 C ATOM 456 C TYR A 28 -7.202 -9.450 -29.610 1.00 54.41 C ATOM 457 O TYR A 28 -6.008 -9.286 -29.857 1.00 1.44 O ATOM 458 CB TYR A 28 -8.572 -11.290 -30.608 1.00 44.10 C ATOM 459 CG TYR A 28 -7.798 -11.197 -31.904 1.00 75.21 C ATOM 460 CD1 TYR A 28 -8.255 -10.409 -32.953 1.00 74.24 C ATOM 461 CD2 TYR A 28 -6.612 -11.898 -32.080 1.00 21.11 C ATOM 462 CE1 TYR A 28 -7.553 -10.322 -34.140 1.00 1.13 C ATOM 463 CE2 TYR A 28 -5.902 -11.816 -33.262 1.00 40.41 C ATOM 464 CZ TYR A 28 -6.377 -11.026 -34.289 1.00 64.50 C ATOM 465 OH TYR A 28 -5.673 -10.943 -35.469 1.00 11.23 O ATOM 0 H TYR A 28 -9.609 -10.911 -28.379 1.00 43.30 H new ATOM 0 HA TYR A 28 -6.938 -11.537 -29.233 1.00 53.31 H new ATOM 0 HB2 TYR A 28 -8.902 -12.319 -30.464 1.00 44.10 H new ATOM 0 HB3 TYR A 28 -9.469 -10.676 -30.685 1.00 44.10 H new ATOM 0 HD1 TYR A 28 -9.175 -9.855 -32.839 1.00 74.24 H new ATOM 0 HD2 TYR A 28 -6.238 -12.518 -31.279 1.00 21.11 H new ATOM 0 HE1 TYR A 28 -7.923 -9.706 -34.946 1.00 1.13 H new ATOM 0 HE2 TYR A 28 -4.981 -12.367 -33.382 1.00 40.41 H new ATOM 0 HH TYR A 28 -4.868 -11.498 -35.409 1.00 11.23 H new ATOM 475 N GLN A 29 -8.069 -8.446 -29.524 1.00 51.30 N ATOM 476 CA GLN A 29 -7.656 -7.061 -29.720 1.00 24.21 C ATOM 477 C GLN A 29 -6.589 -6.663 -28.705 1.00 63.15 C ATOM 478 O GLN A 29 -5.689 -5.880 -29.011 1.00 5.55 O ATOM 479 CB GLN A 29 -8.860 -6.126 -29.605 1.00 14.25 C ATOM 480 CG GLN A 29 -9.321 -5.900 -28.173 1.00 62.54 C ATOM 481 CD GLN A 29 -10.473 -4.920 -28.079 1.00 11.05 C ATOM 482 OE1 GLN A 29 -10.324 -3.818 -27.549 1.00 20.41 O ATOM 483 NE2 GLN A 29 -11.632 -5.316 -28.593 1.00 5.11 N ATOM 0 H GLN A 29 -9.061 -8.566 -29.320 1.00 51.30 H new ATOM 0 HA GLN A 29 -7.232 -6.973 -30.720 1.00 24.21 H new ATOM 0 HB2 GLN A 29 -8.607 -5.165 -30.052 1.00 14.25 H new ATOM 0 HB3 GLN A 29 -9.687 -6.539 -30.183 1.00 14.25 H new ATOM 0 HG2 GLN A 29 -9.623 -6.853 -27.738 1.00 62.54 H new ATOM 0 HG3 GLN A 29 -8.485 -5.530 -27.580 1.00 62.54 H new ATOM 0 HE21 GLN A 29 -11.711 -6.238 -29.023 1.00 5.11 H new ATOM 0 HE22 GLN A 29 -12.443 -4.698 -28.558 1.00 5.11 H new ATOM 492 N LEU A 30 -6.695 -7.207 -27.498 1.00 53.21 N ATOM 493 CA LEU A 30 -5.739 -6.908 -26.437 1.00 74.14 C ATOM 494 C LEU A 30 -4.400 -7.586 -26.705 1.00 65.20 C ATOM 495 O LEU A 30 -3.341 -6.993 -26.502 1.00 2.32 O ATOM 496 CB LEU A 30 -6.291 -7.360 -25.084 1.00 74.23 C ATOM 497 CG LEU A 30 -6.665 -6.246 -24.106 1.00 24.24 C ATOM 498 CD1 LEU A 30 -7.571 -5.227 -24.778 1.00 15.04 C ATOM 499 CD2 LEU A 30 -7.335 -6.826 -22.869 1.00 11.45 C ATOM 0 H LEU A 30 -7.433 -7.858 -27.229 1.00 53.21 H new ATOM 0 HA LEU A 30 -5.582 -5.830 -26.416 1.00 74.14 H new ATOM 0 HB2 LEU A 30 -7.175 -7.973 -25.261 1.00 74.23 H new ATOM 0 HB3 LEU A 30 -5.549 -8.001 -24.607 1.00 74.23 H new ATOM 0 HG LEU A 30 -5.751 -5.739 -23.796 1.00 24.24 H new ATOM 0 HD11 LEU A 30 -7.826 -4.442 -24.066 1.00 15.04 H new ATOM 0 HD12 LEU A 30 -7.055 -4.789 -25.632 1.00 15.04 H new ATOM 0 HD13 LEU A 30 -8.482 -5.719 -25.118 1.00 15.04 H new ATOM 0 HD21 LEU A 30 -7.594 -6.019 -22.184 1.00 11.45 H new ATOM 0 HD22 LEU A 30 -8.240 -7.359 -23.161 1.00 11.45 H new ATOM 0 HD23 LEU A 30 -6.651 -7.516 -22.375 1.00 11.45 H new ATOM 511 N ALA A 31 -4.454 -8.832 -27.164 1.00 60.22 N ATOM 512 CA ALA A 31 -3.245 -9.589 -27.464 1.00 31.40 C ATOM 513 C ALA A 31 -2.384 -8.864 -28.493 1.00 32.32 C ATOM 514 O ALA A 31 -1.158 -8.844 -28.388 1.00 4.12 O ATOM 515 CB ALA A 31 -3.604 -10.982 -27.961 1.00 12.12 C ATOM 0 H ALA A 31 -5.322 -9.339 -27.336 1.00 60.22 H new ATOM 0 HA ALA A 31 -2.666 -9.681 -26.545 1.00 31.40 H new ATOM 0 HB1 ALA A 31 -2.692 -11.536 -28.181 1.00 12.12 H new ATOM 0 HB2 ALA A 31 -4.171 -11.507 -27.193 1.00 12.12 H new ATOM 0 HB3 ALA A 31 -4.207 -10.901 -28.866 1.00 12.12 H new ATOM 521 N LYS A 32 -3.034 -8.270 -29.488 1.00 20.21 N ATOM 522 CA LYS A 32 -2.329 -7.543 -30.537 1.00 3.05 C ATOM 523 C LYS A 32 -1.539 -6.376 -29.953 1.00 15.44 C ATOM 524 O LYS A 32 -0.554 -5.925 -30.537 1.00 2.23 O ATOM 525 CB LYS A 32 -3.319 -7.030 -31.584 1.00 40.42 C ATOM 526 CG LYS A 32 -3.867 -8.120 -32.489 1.00 12.24 C ATOM 527 CD LYS A 32 -5.307 -7.842 -32.887 1.00 40.02 C ATOM 528 CE LYS A 32 -5.427 -6.546 -33.675 1.00 31.31 C ATOM 529 NZ LYS A 32 -6.666 -6.512 -34.500 1.00 14.42 N ATOM 0 H LYS A 32 -4.049 -8.278 -29.590 1.00 20.21 H new ATOM 0 HA LYS A 32 -1.630 -8.230 -31.014 1.00 3.05 H new ATOM 0 HB2 LYS A 32 -4.150 -6.539 -31.077 1.00 40.42 H new ATOM 0 HB3 LYS A 32 -2.828 -6.274 -32.196 1.00 40.42 H new ATOM 0 HG2 LYS A 32 -3.249 -8.196 -33.384 1.00 12.24 H new ATOM 0 HG3 LYS A 32 -3.809 -9.081 -31.979 1.00 12.24 H new ATOM 0 HD2 LYS A 32 -5.686 -8.670 -33.486 1.00 40.02 H new ATOM 0 HD3 LYS A 32 -5.928 -7.784 -31.993 1.00 40.02 H new ATOM 0 HE2 LYS A 32 -5.426 -5.701 -32.987 1.00 31.31 H new ATOM 0 HE3 LYS A 32 -4.557 -6.432 -34.321 1.00 31.31 H new ATOM 0 HZ1 LYS A 32 -6.711 -5.613 -35.022 1.00 14.42 H new ATOM 0 HZ2 LYS A 32 -6.656 -7.304 -35.174 1.00 14.42 H new ATOM 0 HZ3 LYS A 32 -7.498 -6.595 -33.881 1.00 14.42 H new ATOM 543 N LYS A 33 -1.978 -5.891 -28.796 1.00 10.51 N ATOM 544 CA LYS A 33 -1.312 -4.777 -28.131 1.00 24.34 C ATOM 545 C LYS A 33 0.015 -5.222 -27.523 1.00 11.00 C ATOM 546 O LYS A 33 1.002 -4.487 -27.558 1.00 63.25 O ATOM 547 CB LYS A 33 -2.214 -4.194 -27.041 1.00 2.23 C ATOM 548 CG LYS A 33 -3.657 -4.011 -27.479 1.00 5.31 C ATOM 549 CD LYS A 33 -4.451 -3.210 -26.461 1.00 51.10 C ATOM 550 CE LYS A 33 -5.534 -2.376 -27.130 1.00 24.53 C ATOM 551 NZ LYS A 33 -4.965 -1.205 -27.852 1.00 2.12 N ATOM 0 H LYS A 33 -2.792 -6.252 -28.299 1.00 10.51 H new ATOM 0 HA LYS A 33 -1.111 -4.008 -28.877 1.00 24.34 H new ATOM 0 HB2 LYS A 33 -2.188 -4.849 -26.170 1.00 2.23 H new ATOM 0 HB3 LYS A 33 -1.813 -3.230 -26.727 1.00 2.23 H new ATOM 0 HG2 LYS A 33 -3.684 -3.504 -28.443 1.00 5.31 H new ATOM 0 HG3 LYS A 33 -4.122 -4.987 -27.619 1.00 5.31 H new ATOM 0 HD2 LYS A 33 -4.906 -3.887 -25.738 1.00 51.10 H new ATOM 0 HD3 LYS A 33 -3.778 -2.557 -25.906 1.00 51.10 H new ATOM 0 HE2 LYS A 33 -6.091 -2.998 -27.830 1.00 24.53 H new ATOM 0 HE3 LYS A 33 -6.242 -2.030 -26.378 1.00 24.53 H new ATOM 0 HZ1 LYS A 33 -5.730 -0.547 -28.104 1.00 2.12 H new ATOM 0 HZ2 LYS A 33 -4.279 -0.719 -27.240 1.00 2.12 H new ATOM 0 HZ3 LYS A 33 -4.488 -1.529 -28.717 1.00 2.12 H new ATOM 565 N TYR A 34 0.031 -6.428 -26.968 1.00 20.54 N ATOM 566 CA TYR A 34 1.236 -6.970 -26.352 1.00 24.34 C ATOM 567 C TYR A 34 1.915 -7.977 -27.276 1.00 3.34 C ATOM 568 O TYR A 34 2.703 -8.812 -26.831 1.00 61.32 O ATOM 569 CB TYR A 34 0.897 -7.635 -25.016 1.00 44.03 C ATOM 570 CG TYR A 34 0.208 -6.711 -24.038 1.00 32.21 C ATOM 571 CD1 TYR A 34 0.939 -5.964 -23.123 1.00 25.40 C ATOM 572 CD2 TYR A 34 -1.176 -6.585 -24.029 1.00 40.43 C ATOM 573 CE1 TYR A 34 0.313 -5.120 -22.227 1.00 3.11 C ATOM 574 CE2 TYR A 34 -1.811 -5.741 -23.138 1.00 24.43 C ATOM 575 CZ TYR A 34 -1.062 -5.012 -22.238 1.00 43.33 C ATOM 576 OH TYR A 34 -1.689 -4.170 -21.348 1.00 71.42 O ATOM 0 H TYR A 34 -0.777 -7.049 -26.932 1.00 20.54 H new ATOM 0 HA TYR A 34 1.925 -6.144 -26.175 1.00 24.34 H new ATOM 0 HB2 TYR A 34 0.257 -8.497 -25.201 1.00 44.03 H new ATOM 0 HB3 TYR A 34 1.815 -8.011 -24.563 1.00 44.03 H new ATOM 0 HD1 TYR A 34 2.016 -6.045 -23.112 1.00 25.40 H new ATOM 0 HD2 TYR A 34 -1.765 -7.157 -24.731 1.00 40.43 H new ATOM 0 HE1 TYR A 34 0.897 -4.548 -21.521 1.00 3.11 H new ATOM 0 HE2 TYR A 34 -2.887 -5.653 -23.146 1.00 24.43 H new ATOM 0 HH TYR A 34 -2.658 -4.209 -21.488 1.00 71.42 H new ATOM 586 N HIS A 35 1.604 -7.890 -28.565 1.00 41.10 N ATOM 587 CA HIS A 35 2.184 -8.792 -29.554 1.00 3.51 C ATOM 588 C HIS A 35 3.705 -8.673 -29.570 1.00 64.54 C ATOM 589 O HIS A 35 4.281 -7.689 -29.106 1.00 51.05 O ATOM 590 CB HIS A 35 1.623 -8.488 -30.943 1.00 75.42 C ATOM 591 CG HIS A 35 0.647 -9.514 -31.432 1.00 32.43 C ATOM 592 ND1 HIS A 35 -0.159 -10.249 -30.587 1.00 64.04 N ATOM 593 CD2 HIS A 35 0.348 -9.925 -32.686 1.00 61.43 C ATOM 594 CE1 HIS A 35 -0.909 -11.069 -31.301 1.00 53.23 C ATOM 595 NE2 HIS A 35 -0.621 -10.892 -32.578 1.00 54.22 N ATOM 0 H HIS A 35 0.954 -7.204 -28.949 1.00 41.10 H new ATOM 0 HA HIS A 35 1.919 -9.813 -29.279 1.00 3.51 H new ATOM 0 HB2 HIS A 35 1.134 -7.514 -30.923 1.00 75.42 H new ATOM 0 HB3 HIS A 35 2.448 -8.417 -31.652 1.00 75.42 H new ATOM 0 HD1 HIS A 35 -0.173 -10.171 -29.570 1.00 64.04 H new ATOM 0 HD2 HIS A 35 0.789 -9.560 -33.602 1.00 61.43 H new ATOM 0 HE1 HIS A 35 -1.634 -11.766 -30.908 1.00 53.23 H new ATOM 603 N PRO A 36 4.373 -9.701 -30.116 1.00 43.54 N ATOM 604 CA PRO A 36 5.836 -9.735 -30.206 1.00 61.31 C ATOM 605 C PRO A 36 6.380 -8.722 -31.207 1.00 52.14 C ATOM 606 O PRO A 36 7.589 -8.507 -31.293 1.00 10.22 O ATOM 607 CB PRO A 36 6.129 -11.162 -30.677 1.00 33.10 C ATOM 608 CG PRO A 36 4.893 -11.585 -31.394 1.00 65.23 C ATOM 609 CD PRO A 36 3.752 -10.907 -30.689 1.00 10.41 C ATOM 0 HA PRO A 36 6.308 -9.478 -29.258 1.00 61.31 H new ATOM 0 HB2 PRO A 36 6.998 -11.191 -31.334 1.00 33.10 H new ATOM 0 HB3 PRO A 36 6.344 -11.821 -29.835 1.00 33.10 H new ATOM 0 HG2 PRO A 36 4.932 -11.293 -32.444 1.00 65.23 H new ATOM 0 HG3 PRO A 36 4.779 -12.669 -31.368 1.00 65.23 H new ATOM 0 HD2 PRO A 36 2.946 -10.655 -31.379 1.00 10.41 H new ATOM 0 HD3 PRO A 36 3.322 -11.544 -29.916 1.00 10.41 H new ATOM 617 N ASP A 37 5.480 -8.102 -31.963 1.00 33.15 N ATOM 618 CA ASP A 37 5.869 -7.110 -32.957 1.00 44.53 C ATOM 619 C ASP A 37 6.228 -5.785 -32.292 1.00 3.34 C ATOM 620 O ASP A 37 6.957 -4.970 -32.858 1.00 4.31 O ATOM 621 CB ASP A 37 4.740 -6.898 -33.967 1.00 43.31 C ATOM 622 CG ASP A 37 4.423 -8.155 -34.753 1.00 11.22 C ATOM 623 OD1 ASP A 37 4.931 -8.290 -35.885 1.00 62.32 O ATOM 624 OD2 ASP A 37 3.666 -9.003 -34.236 1.00 15.23 O ATOM 0 H ASP A 37 4.476 -8.270 -31.906 1.00 33.15 H new ATOM 0 HA ASP A 37 6.749 -7.483 -33.480 1.00 44.53 H new ATOM 0 HB2 ASP A 37 3.844 -6.566 -33.442 1.00 43.31 H new ATOM 0 HB3 ASP A 37 5.019 -6.102 -34.657 1.00 43.31 H new ATOM 629 N THR A 38 5.710 -5.575 -31.085 1.00 43.22 N ATOM 630 CA THR A 38 5.974 -4.349 -30.343 1.00 52.41 C ATOM 631 C THR A 38 6.872 -4.616 -29.141 1.00 45.31 C ATOM 632 O THR A 38 7.182 -3.707 -28.372 1.00 22.12 O ATOM 633 CB THR A 38 4.667 -3.694 -29.857 1.00 72.11 C ATOM 634 OG1 THR A 38 4.136 -4.426 -28.746 1.00 41.44 O ATOM 635 CG2 THR A 38 3.638 -3.645 -30.976 1.00 52.54 C ATOM 0 H THR A 38 5.105 -6.239 -30.601 1.00 43.22 H new ATOM 0 HA THR A 38 6.481 -3.669 -31.028 1.00 52.41 H new ATOM 0 HB THR A 38 4.891 -2.674 -29.546 1.00 72.11 H new ATOM 0 HG1 THR A 38 4.196 -5.387 -28.929 1.00 41.44 H new ATOM 0 HG21 THR A 38 2.724 -3.179 -30.609 1.00 52.54 H new ATOM 0 HG22 THR A 38 4.033 -3.063 -31.809 1.00 52.54 H new ATOM 0 HG23 THR A 38 3.418 -4.658 -31.313 1.00 52.54 H new ATOM 643 N ASN A 39 7.289 -5.868 -28.986 1.00 72.41 N ATOM 644 CA ASN A 39 8.153 -6.255 -27.877 1.00 11.13 C ATOM 645 C ASN A 39 9.604 -5.877 -28.160 1.00 73.10 C ATOM 646 O ASN A 39 10.473 -6.019 -27.300 1.00 64.02 O ATOM 647 CB ASN A 39 8.047 -7.760 -27.621 1.00 13.45 C ATOM 648 CG ASN A 39 6.946 -8.102 -26.635 1.00 22.00 C ATOM 649 OD1 ASN A 39 7.141 -8.908 -25.725 1.00 2.10 O ATOM 650 ND2 ASN A 39 5.781 -7.489 -26.813 1.00 24.53 N ATOM 0 H ASN A 39 7.042 -6.632 -29.615 1.00 72.41 H new ATOM 0 HA ASN A 39 7.823 -5.718 -26.988 1.00 11.13 H new ATOM 0 HB2 ASN A 39 7.859 -8.274 -28.564 1.00 13.45 H new ATOM 0 HB3 ASN A 39 8.999 -8.129 -27.241 1.00 13.45 H new ATOM 0 HD21 ASN A 39 5.003 -7.679 -26.182 1.00 24.53 H new ATOM 0 HD22 ASN A 39 5.665 -6.828 -27.581 1.00 24.53 H new ATOM 657 N LYS A 40 9.858 -5.395 -29.372 1.00 12.54 N ATOM 658 CA LYS A 40 11.202 -4.994 -29.770 1.00 10.33 C ATOM 659 C LYS A 40 11.810 -4.039 -28.748 1.00 1.44 C ATOM 660 O LYS A 40 12.993 -4.134 -28.422 1.00 24.31 O ATOM 661 CB LYS A 40 11.171 -4.330 -31.148 1.00 63.24 C ATOM 662 CG LYS A 40 11.359 -5.306 -32.297 1.00 43.23 C ATOM 663 CD LYS A 40 10.199 -6.281 -32.396 1.00 75.31 C ATOM 664 CE LYS A 40 10.523 -7.604 -31.720 1.00 23.44 C ATOM 665 NZ LYS A 40 10.162 -8.768 -32.576 1.00 22.24 N ATOM 0 H LYS A 40 9.150 -5.273 -30.096 1.00 12.54 H new ATOM 0 HA LYS A 40 11.822 -5.889 -29.818 1.00 10.33 H new ATOM 0 HB2 LYS A 40 10.219 -3.814 -31.272 1.00 63.24 H new ATOM 0 HB3 LYS A 40 11.953 -3.572 -31.195 1.00 63.24 H new ATOM 0 HG2 LYS A 40 11.453 -4.754 -33.232 1.00 43.23 H new ATOM 0 HG3 LYS A 40 12.289 -5.858 -32.158 1.00 43.23 H new ATOM 0 HD2 LYS A 40 9.314 -5.843 -31.935 1.00 75.31 H new ATOM 0 HD3 LYS A 40 9.958 -6.456 -33.445 1.00 75.31 H new ATOM 0 HE2 LYS A 40 11.587 -7.641 -31.486 1.00 23.44 H new ATOM 0 HE3 LYS A 40 9.986 -7.669 -30.773 1.00 23.44 H new ATOM 0 HZ1 LYS A 40 10.781 -9.572 -32.348 1.00 22.24 H new ATOM 0 HZ2 LYS A 40 9.172 -9.033 -32.401 1.00 22.24 H new ATOM 0 HZ3 LYS A 40 10.281 -8.513 -33.577 1.00 22.24 H new ATOM 679 N ASP A 41 10.993 -3.120 -28.245 1.00 4.44 N ATOM 680 CA ASP A 41 11.450 -2.149 -27.257 1.00 45.31 C ATOM 681 C ASP A 41 10.681 -2.301 -25.949 1.00 11.22 C ATOM 682 O ASP A 41 10.641 -1.382 -25.130 1.00 60.11 O ATOM 683 CB ASP A 41 11.289 -0.726 -27.796 1.00 73.50 C ATOM 684 CG ASP A 41 12.109 0.284 -27.019 1.00 24.00 C ATOM 685 OD1 ASP A 41 13.353 0.167 -27.022 1.00 50.34 O ATOM 686 OD2 ASP A 41 11.508 1.192 -26.408 1.00 63.01 O ATOM 0 H ASP A 41 10.011 -3.027 -28.505 1.00 4.44 H new ATOM 0 HA ASP A 41 12.505 -2.337 -27.060 1.00 45.31 H new ATOM 0 HB2 ASP A 41 11.587 -0.702 -28.844 1.00 73.50 H new ATOM 0 HB3 ASP A 41 10.237 -0.443 -27.757 1.00 73.50 H new ATOM 691 N ASP A 42 10.071 -3.465 -25.759 1.00 74.44 N ATOM 692 CA ASP A 42 9.302 -3.738 -24.551 1.00 32.24 C ATOM 693 C ASP A 42 9.392 -5.213 -24.170 1.00 45.31 C ATOM 694 O ASP A 42 8.497 -6.008 -24.454 1.00 20.50 O ATOM 695 CB ASP A 42 7.839 -3.339 -24.750 1.00 71.11 C ATOM 696 CG ASP A 42 7.195 -2.843 -23.471 1.00 14.24 C ATOM 697 OD1 ASP A 42 7.342 -3.519 -22.431 1.00 14.12 O ATOM 698 OD2 ASP A 42 6.544 -1.778 -23.509 1.00 10.20 O ATOM 0 H ASP A 42 10.094 -4.236 -26.427 1.00 74.44 H new ATOM 0 HA ASP A 42 9.725 -3.145 -23.740 1.00 32.24 H new ATOM 0 HB2 ASP A 42 7.778 -2.560 -25.510 1.00 71.11 H new ATOM 0 HB3 ASP A 42 7.280 -4.196 -25.126 1.00 71.11 H new ATOM 703 N PRO A 43 10.500 -5.588 -23.513 1.00 0.52 N ATOM 704 CA PRO A 43 10.734 -6.968 -23.080 1.00 24.31 C ATOM 705 C PRO A 43 9.803 -7.387 -21.948 1.00 13.13 C ATOM 706 O PRO A 43 9.767 -8.554 -21.558 1.00 24.30 O ATOM 707 CB PRO A 43 12.187 -6.947 -22.597 1.00 12.22 C ATOM 708 CG PRO A 43 12.435 -5.531 -22.206 1.00 42.22 C ATOM 709 CD PRO A 43 11.608 -4.692 -23.141 1.00 64.12 C ATOM 0 HA PRO A 43 10.547 -7.683 -23.881 1.00 24.31 H new ATOM 0 HB2 PRO A 43 12.334 -7.622 -21.754 1.00 12.22 H new ATOM 0 HB3 PRO A 43 12.871 -7.266 -23.384 1.00 12.22 H new ATOM 0 HG2 PRO A 43 12.149 -5.357 -21.169 1.00 42.22 H new ATOM 0 HG3 PRO A 43 13.493 -5.282 -22.291 1.00 42.22 H new ATOM 0 HD2 PRO A 43 11.246 -3.786 -22.655 1.00 64.12 H new ATOM 0 HD3 PRO A 43 12.181 -4.378 -24.013 1.00 64.12 H new ATOM 717 N LYS A 44 9.048 -6.427 -21.423 1.00 63.20 N ATOM 718 CA LYS A 44 8.114 -6.696 -20.336 1.00 41.33 C ATOM 719 C LYS A 44 6.710 -6.948 -20.876 1.00 31.32 C ATOM 720 O LYS A 44 5.871 -7.540 -20.197 1.00 64.42 O ATOM 721 CB LYS A 44 8.091 -5.522 -19.354 1.00 61.13 C ATOM 722 CG LYS A 44 9.192 -5.581 -18.310 1.00 22.53 C ATOM 723 CD LYS A 44 9.376 -4.242 -17.617 1.00 1.24 C ATOM 724 CE LYS A 44 10.531 -4.280 -16.627 1.00 52.03 C ATOM 725 NZ LYS A 44 11.851 -4.272 -17.316 1.00 3.15 N ATOM 0 H LYS A 44 9.065 -5.455 -21.733 1.00 63.20 H new ATOM 0 HA LYS A 44 8.450 -7.592 -19.814 1.00 41.33 H new ATOM 0 HB2 LYS A 44 8.181 -4.590 -19.912 1.00 61.13 H new ATOM 0 HB3 LYS A 44 7.125 -5.500 -18.850 1.00 61.13 H new ATOM 0 HG2 LYS A 44 8.952 -6.345 -17.570 1.00 22.53 H new ATOM 0 HG3 LYS A 44 10.128 -5.878 -18.783 1.00 22.53 H new ATOM 0 HD2 LYS A 44 9.559 -3.468 -18.362 1.00 1.24 H new ATOM 0 HD3 LYS A 44 8.458 -3.972 -17.096 1.00 1.24 H new ATOM 0 HE2 LYS A 44 10.465 -3.422 -15.958 1.00 52.03 H new ATOM 0 HE3 LYS A 44 10.450 -5.173 -16.008 1.00 52.03 H new ATOM 0 HZ1 LYS A 44 12.612 -4.247 -16.608 1.00 3.15 H new ATOM 0 HZ2 LYS A 44 11.945 -5.130 -17.896 1.00 3.15 H new ATOM 0 HZ3 LYS A 44 11.919 -3.433 -17.926 1.00 3.15 H new ATOM 739 N ALA A 45 6.461 -6.497 -22.101 1.00 4.42 N ATOM 740 CA ALA A 45 5.160 -6.677 -22.732 1.00 61.22 C ATOM 741 C ALA A 45 4.773 -8.151 -22.781 1.00 23.43 C ATOM 742 O ALA A 45 3.611 -8.506 -22.584 1.00 13.12 O ATOM 743 CB ALA A 45 5.167 -6.085 -24.134 1.00 12.13 C ATOM 0 H ALA A 45 7.144 -6.004 -22.676 1.00 4.42 H new ATOM 0 HA ALA A 45 4.417 -6.153 -22.131 1.00 61.22 H new ATOM 0 HB1 ALA A 45 4.189 -6.227 -24.594 1.00 12.13 H new ATOM 0 HB2 ALA A 45 5.391 -5.020 -24.078 1.00 12.13 H new ATOM 0 HB3 ALA A 45 5.926 -6.584 -24.736 1.00 12.13 H new ATOM 749 N LYS A 46 5.755 -9.007 -23.045 1.00 34.43 N ATOM 750 CA LYS A 46 5.518 -10.444 -23.119 1.00 31.22 C ATOM 751 C LYS A 46 4.908 -10.963 -21.820 1.00 44.03 C ATOM 752 O LYS A 46 4.034 -11.828 -21.838 1.00 32.25 O ATOM 753 CB LYS A 46 6.826 -11.183 -23.412 1.00 12.15 C ATOM 754 CG LYS A 46 7.919 -10.911 -22.393 1.00 1.21 C ATOM 755 CD LYS A 46 9.291 -11.275 -22.936 1.00 53.33 C ATOM 756 CE LYS A 46 9.724 -10.322 -24.040 1.00 11.44 C ATOM 757 NZ LYS A 46 11.206 -10.216 -24.131 1.00 4.54 N ATOM 0 H LYS A 46 6.723 -8.730 -23.211 1.00 34.43 H new ATOM 0 HA LYS A 46 4.814 -10.629 -23.930 1.00 31.22 H new ATOM 0 HB2 LYS A 46 6.629 -12.255 -23.444 1.00 12.15 H new ATOM 0 HB3 LYS A 46 7.183 -10.895 -24.401 1.00 12.15 H new ATOM 0 HG2 LYS A 46 7.905 -9.857 -22.115 1.00 1.21 H new ATOM 0 HG3 LYS A 46 7.722 -11.482 -21.486 1.00 1.21 H new ATOM 0 HD2 LYS A 46 10.021 -11.252 -22.127 1.00 53.33 H new ATOM 0 HD3 LYS A 46 9.273 -12.295 -23.321 1.00 53.33 H new ATOM 0 HE2 LYS A 46 9.325 -10.666 -24.994 1.00 11.44 H new ATOM 0 HE3 LYS A 46 9.300 -9.335 -23.855 1.00 11.44 H new ATOM 0 HZ1 LYS A 46 11.461 -9.558 -24.895 1.00 4.54 H new ATOM 0 HZ2 LYS A 46 11.585 -9.863 -23.229 1.00 4.54 H new ATOM 0 HZ3 LYS A 46 11.609 -11.153 -24.333 1.00 4.54 H new ATOM 771 N GLU A 47 5.376 -10.427 -20.697 1.00 33.20 N ATOM 772 CA GLU A 47 4.875 -10.837 -19.390 1.00 50.21 C ATOM 773 C GLU A 47 3.407 -10.454 -19.226 1.00 10.04 C ATOM 774 O GLU A 47 2.613 -11.216 -18.674 1.00 13.34 O ATOM 775 CB GLU A 47 5.708 -10.198 -18.277 1.00 11.21 C ATOM 776 CG GLU A 47 7.149 -10.678 -18.243 1.00 20.22 C ATOM 777 CD GLU A 47 7.289 -12.059 -17.631 1.00 44.34 C ATOM 778 OE1 GLU A 47 7.043 -13.052 -18.347 1.00 40.15 O ATOM 779 OE2 GLU A 47 7.645 -12.146 -16.438 1.00 22.13 O ATOM 0 H GLU A 47 6.100 -9.709 -20.666 1.00 33.20 H new ATOM 0 HA GLU A 47 4.960 -11.921 -19.320 1.00 50.21 H new ATOM 0 HB2 GLU A 47 5.697 -9.115 -18.403 1.00 11.21 H new ATOM 0 HB3 GLU A 47 5.240 -10.412 -17.316 1.00 11.21 H new ATOM 0 HG2 GLU A 47 7.548 -10.692 -19.257 1.00 20.22 H new ATOM 0 HG3 GLU A 47 7.751 -9.970 -17.674 1.00 20.22 H new ATOM 786 N LYS A 48 3.053 -9.268 -19.708 1.00 44.51 N ATOM 787 CA LYS A 48 1.682 -8.782 -19.616 1.00 52.53 C ATOM 788 C LYS A 48 0.765 -9.560 -20.554 1.00 72.21 C ATOM 789 O LYS A 48 -0.404 -9.792 -20.245 1.00 30.15 O ATOM 790 CB LYS A 48 1.624 -7.290 -19.952 1.00 1.50 C ATOM 791 CG LYS A 48 2.599 -6.447 -19.147 1.00 53.05 C ATOM 792 CD LYS A 48 2.352 -6.582 -17.654 1.00 60.13 C ATOM 793 CE LYS A 48 3.337 -5.749 -16.849 1.00 24.11 C ATOM 794 NZ LYS A 48 3.463 -6.239 -15.448 1.00 51.12 N ATOM 0 H LYS A 48 3.698 -8.625 -20.167 1.00 44.51 H new ATOM 0 HA LYS A 48 1.338 -8.932 -18.593 1.00 52.53 H new ATOM 0 HB2 LYS A 48 1.832 -7.157 -21.014 1.00 1.50 H new ATOM 0 HB3 LYS A 48 0.612 -6.926 -19.777 1.00 1.50 H new ATOM 0 HG2 LYS A 48 3.620 -6.751 -19.377 1.00 53.05 H new ATOM 0 HG3 LYS A 48 2.505 -5.401 -19.439 1.00 53.05 H new ATOM 0 HD2 LYS A 48 1.334 -6.268 -17.423 1.00 60.13 H new ATOM 0 HD3 LYS A 48 2.437 -7.629 -17.363 1.00 60.13 H new ATOM 0 HE2 LYS A 48 4.314 -5.775 -17.332 1.00 24.11 H new ATOM 0 HE3 LYS A 48 3.012 -4.709 -16.842 1.00 24.11 H new ATOM 0 HZ1 LYS A 48 4.143 -5.645 -14.932 1.00 51.12 H new ATOM 0 HZ2 LYS A 48 2.536 -6.191 -14.979 1.00 51.12 H new ATOM 0 HZ3 LYS A 48 3.798 -7.224 -15.453 1.00 51.12 H new ATOM 808 N PHE A 49 1.303 -9.963 -21.701 1.00 15.32 N ATOM 809 CA PHE A 49 0.532 -10.716 -22.684 1.00 24.15 C ATOM 810 C PHE A 49 -0.003 -12.010 -22.078 1.00 73.45 C ATOM 811 O PHE A 49 -1.084 -12.477 -22.440 1.00 3.32 O ATOM 812 CB PHE A 49 1.396 -11.031 -23.907 1.00 13.20 C ATOM 813 CG PHE A 49 0.738 -11.967 -24.880 1.00 31.11 C ATOM 814 CD1 PHE A 49 -0.015 -11.475 -25.934 1.00 34.53 C ATOM 815 CD2 PHE A 49 0.873 -13.339 -24.740 1.00 74.13 C ATOM 816 CE1 PHE A 49 -0.622 -12.334 -26.831 1.00 63.41 C ATOM 817 CE2 PHE A 49 0.269 -14.203 -25.635 1.00 0.33 C ATOM 818 CZ PHE A 49 -0.480 -13.700 -26.681 1.00 10.14 C ATOM 0 H PHE A 49 2.269 -9.781 -21.972 1.00 15.32 H new ATOM 0 HA PHE A 49 -0.314 -10.103 -22.994 1.00 24.15 H new ATOM 0 HB2 PHE A 49 1.640 -10.100 -24.419 1.00 13.20 H new ATOM 0 HB3 PHE A 49 2.337 -11.468 -23.574 1.00 13.20 H new ATOM 0 HD1 PHE A 49 -0.129 -10.408 -26.056 1.00 34.53 H new ATOM 0 HD2 PHE A 49 1.456 -13.738 -23.923 1.00 74.13 H new ATOM 0 HE1 PHE A 49 -1.207 -11.938 -27.648 1.00 63.41 H new ATOM 0 HE2 PHE A 49 0.383 -15.270 -25.516 1.00 0.33 H new ATOM 0 HZ PHE A 49 -0.954 -14.373 -27.380 1.00 10.14 H new ATOM 828 N SER A 50 0.761 -12.586 -21.156 1.00 20.02 N ATOM 829 CA SER A 50 0.366 -13.829 -20.503 1.00 45.11 C ATOM 830 C SER A 50 -0.878 -13.621 -19.645 1.00 50.35 C ATOM 831 O SER A 50 -1.731 -14.502 -19.548 1.00 33.21 O ATOM 832 CB SER A 50 1.511 -14.362 -19.640 1.00 4.04 C ATOM 833 OG SER A 50 1.044 -15.323 -18.709 1.00 73.02 O ATOM 0 H SER A 50 1.657 -12.212 -20.844 1.00 20.02 H new ATOM 0 HA SER A 50 0.133 -14.560 -21.278 1.00 45.11 H new ATOM 0 HB2 SER A 50 2.273 -14.810 -20.278 1.00 4.04 H new ATOM 0 HB3 SER A 50 1.985 -13.537 -19.109 1.00 4.04 H new ATOM 0 HG SER A 50 0.552 -14.871 -17.992 1.00 73.02 H new ATOM 839 N GLN A 51 -0.973 -12.449 -19.026 1.00 40.52 N ATOM 840 CA GLN A 51 -2.112 -12.124 -18.176 1.00 74.31 C ATOM 841 C GLN A 51 -3.412 -12.155 -18.973 1.00 34.31 C ATOM 842 O GLN A 51 -4.468 -12.510 -18.446 1.00 2.43 O ATOM 843 CB GLN A 51 -1.924 -10.747 -17.538 1.00 50.22 C ATOM 844 CG GLN A 51 -0.730 -10.669 -16.600 1.00 54.21 C ATOM 845 CD GLN A 51 -0.613 -11.885 -15.702 1.00 53.33 C ATOM 846 OE1 GLN A 51 -1.580 -12.289 -15.056 1.00 54.00 O ATOM 847 NE2 GLN A 51 0.575 -12.476 -15.657 1.00 40.43 N ATOM 0 H GLN A 51 -0.275 -11.709 -19.097 1.00 40.52 H new ATOM 0 HA GLN A 51 -2.171 -12.876 -17.389 1.00 74.31 H new ATOM 0 HB2 GLN A 51 -1.805 -10.004 -18.326 1.00 50.22 H new ATOM 0 HB3 GLN A 51 -2.827 -10.485 -16.986 1.00 50.22 H new ATOM 0 HG2 GLN A 51 0.183 -10.567 -17.187 1.00 54.21 H new ATOM 0 HG3 GLN A 51 -0.815 -9.774 -15.984 1.00 54.21 H new ATOM 0 HE21 GLN A 51 1.349 -12.107 -16.209 1.00 40.43 H new ATOM 0 HE22 GLN A 51 0.713 -13.299 -15.070 1.00 40.43 H new ATOM 856 N LEU A 52 -3.330 -11.782 -20.245 1.00 64.11 N ATOM 857 CA LEU A 52 -4.500 -11.767 -21.116 1.00 11.33 C ATOM 858 C LEU A 52 -5.101 -13.163 -21.244 1.00 55.43 C ATOM 859 O LEU A 52 -6.309 -13.345 -21.094 1.00 30.25 O ATOM 860 CB LEU A 52 -4.125 -11.231 -22.499 1.00 23.35 C ATOM 861 CG LEU A 52 -3.419 -9.875 -22.524 1.00 54.13 C ATOM 862 CD1 LEU A 52 -2.763 -9.640 -23.876 1.00 21.21 C ATOM 863 CD2 LEU A 52 -4.401 -8.757 -22.205 1.00 74.10 C ATOM 0 H LEU A 52 -2.465 -11.486 -20.697 1.00 64.11 H new ATOM 0 HA LEU A 52 -5.246 -11.110 -20.670 1.00 11.33 H new ATOM 0 HB2 LEU A 52 -3.481 -11.962 -22.988 1.00 23.35 H new ATOM 0 HB3 LEU A 52 -5.034 -11.156 -23.096 1.00 23.35 H new ATOM 0 HG LEU A 52 -2.641 -9.878 -21.761 1.00 54.13 H new ATOM 0 HD11 LEU A 52 -2.265 -8.670 -23.875 1.00 21.21 H new ATOM 0 HD12 LEU A 52 -2.030 -10.424 -24.066 1.00 21.21 H new ATOM 0 HD13 LEU A 52 -3.523 -9.657 -24.657 1.00 21.21 H new ATOM 0 HD21 LEU A 52 -3.881 -7.799 -22.227 1.00 74.10 H new ATOM 0 HD22 LEU A 52 -5.201 -8.753 -22.945 1.00 74.10 H new ATOM 0 HD23 LEU A 52 -4.825 -8.917 -21.214 1.00 74.10 H new ATOM 875 N ALA A 53 -4.250 -14.145 -21.522 1.00 12.33 N ATOM 876 CA ALA A 53 -4.697 -15.525 -21.666 1.00 42.31 C ATOM 877 C ALA A 53 -5.172 -16.091 -20.332 1.00 44.51 C ATOM 878 O ALA A 53 -6.094 -16.904 -20.286 1.00 1.30 O ATOM 879 CB ALA A 53 -3.579 -16.384 -22.238 1.00 51.03 C ATOM 0 H ALA A 53 -3.247 -14.011 -21.652 1.00 12.33 H new ATOM 0 HA ALA A 53 -5.540 -15.538 -22.356 1.00 42.31 H new ATOM 0 HB1 ALA A 53 -3.926 -17.412 -22.340 1.00 51.03 H new ATOM 0 HB2 ALA A 53 -3.289 -16.000 -23.216 1.00 51.03 H new ATOM 0 HB3 ALA A 53 -2.720 -16.356 -21.568 1.00 51.03 H new ATOM 885 N GLU A 54 -4.535 -15.655 -19.249 1.00 63.14 N ATOM 886 CA GLU A 54 -4.892 -16.121 -17.915 1.00 13.44 C ATOM 887 C GLU A 54 -6.318 -15.709 -17.559 1.00 2.45 C ATOM 888 O GLU A 54 -7.123 -16.532 -17.123 1.00 44.43 O ATOM 889 CB GLU A 54 -3.915 -15.564 -16.877 1.00 63.23 C ATOM 890 CG GLU A 54 -2.563 -16.257 -16.882 1.00 65.21 C ATOM 891 CD GLU A 54 -1.537 -15.541 -16.025 1.00 31.45 C ATOM 892 OE1 GLU A 54 -0.795 -14.696 -16.567 1.00 33.10 O ATOM 893 OE2 GLU A 54 -1.477 -15.827 -14.810 1.00 60.01 O ATOM 0 H GLU A 54 -3.770 -14.981 -19.270 1.00 63.14 H new ATOM 0 HA GLU A 54 -4.834 -17.209 -17.911 1.00 13.44 H new ATOM 0 HB2 GLU A 54 -3.769 -14.500 -17.062 1.00 63.23 H new ATOM 0 HB3 GLU A 54 -4.358 -15.658 -15.886 1.00 63.23 H new ATOM 0 HG2 GLU A 54 -2.682 -17.279 -16.522 1.00 65.21 H new ATOM 0 HG3 GLU A 54 -2.195 -16.320 -17.906 1.00 65.21 H new ATOM 900 N ALA A 55 -6.622 -14.429 -17.746 1.00 41.44 N ATOM 901 CA ALA A 55 -7.950 -13.907 -17.447 1.00 5.12 C ATOM 902 C ALA A 55 -8.975 -14.401 -18.461 1.00 53.13 C ATOM 903 O ALA A 55 -10.123 -14.679 -18.113 1.00 21.30 O ATOM 904 CB ALA A 55 -7.924 -12.386 -17.417 1.00 15.15 C ATOM 0 H ALA A 55 -5.966 -13.734 -18.103 1.00 41.44 H new ATOM 0 HA ALA A 55 -8.245 -14.274 -16.464 1.00 5.12 H new ATOM 0 HB1 ALA A 55 -8.922 -12.009 -17.193 1.00 15.15 H new ATOM 0 HB2 ALA A 55 -7.228 -12.049 -16.649 1.00 15.15 H new ATOM 0 HB3 ALA A 55 -7.603 -12.008 -18.388 1.00 15.15 H new ATOM 910 N TYR A 56 -8.555 -14.507 -19.717 1.00 1.32 N ATOM 911 CA TYR A 56 -9.438 -14.964 -20.783 1.00 34.23 C ATOM 912 C TYR A 56 -9.829 -16.425 -20.577 1.00 41.44 C ATOM 913 O TYR A 56 -10.889 -16.863 -21.023 1.00 1.12 O ATOM 914 CB TYR A 56 -8.762 -14.792 -22.144 1.00 22.13 C ATOM 915 CG TYR A 56 -9.435 -15.564 -23.256 1.00 42.54 C ATOM 916 CD1 TYR A 56 -10.498 -15.015 -23.964 1.00 21.44 C ATOM 917 CD2 TYR A 56 -9.009 -16.840 -23.600 1.00 24.52 C ATOM 918 CE1 TYR A 56 -11.117 -15.717 -24.981 1.00 5.44 C ATOM 919 CE2 TYR A 56 -9.620 -17.548 -24.616 1.00 72.42 C ATOM 920 CZ TYR A 56 -10.674 -16.982 -25.303 1.00 62.45 C ATOM 921 OH TYR A 56 -11.287 -17.685 -26.316 1.00 4.14 O ATOM 0 H TYR A 56 -7.608 -14.282 -20.022 1.00 1.32 H new ATOM 0 HA TYR A 56 -10.343 -14.357 -20.756 1.00 34.23 H new ATOM 0 HB2 TYR A 56 -8.750 -13.733 -22.403 1.00 22.13 H new ATOM 0 HB3 TYR A 56 -7.723 -15.113 -22.067 1.00 22.13 H new ATOM 0 HD1 TYR A 56 -10.846 -14.023 -23.715 1.00 21.44 H new ATOM 0 HD2 TYR A 56 -8.185 -17.287 -23.063 1.00 24.52 H new ATOM 0 HE1 TYR A 56 -11.943 -15.277 -25.520 1.00 5.44 H new ATOM 0 HE2 TYR A 56 -9.275 -18.539 -24.871 1.00 72.42 H new ATOM 0 HH TYR A 56 -10.854 -18.558 -26.417 1.00 4.14 H new ATOM 931 N GLU A 57 -8.964 -17.172 -19.899 1.00 1.12 N ATOM 932 CA GLU A 57 -9.218 -18.583 -19.634 1.00 61.21 C ATOM 933 C GLU A 57 -10.496 -18.763 -18.820 1.00 53.35 C ATOM 934 O GLU A 57 -11.339 -19.600 -19.144 1.00 11.30 O ATOM 935 CB GLU A 57 -8.035 -19.206 -18.890 1.00 30.31 C ATOM 936 CG GLU A 57 -7.065 -19.943 -19.798 1.00 24.02 C ATOM 937 CD GLU A 57 -7.155 -21.449 -19.648 1.00 64.31 C ATOM 938 OE1 GLU A 57 -6.434 -22.005 -18.793 1.00 74.30 O ATOM 939 OE2 GLU A 57 -7.946 -22.072 -20.387 1.00 12.12 O ATOM 0 H GLU A 57 -8.082 -16.824 -19.523 1.00 1.12 H new ATOM 0 HA GLU A 57 -9.343 -19.089 -20.591 1.00 61.21 H new ATOM 0 HB2 GLU A 57 -7.497 -18.421 -18.358 1.00 30.31 H new ATOM 0 HB3 GLU A 57 -8.413 -19.899 -18.138 1.00 30.31 H new ATOM 0 HG2 GLU A 57 -7.266 -19.672 -20.834 1.00 24.02 H new ATOM 0 HG3 GLU A 57 -6.048 -19.620 -19.576 1.00 24.02 H new ATOM 946 N VAL A 58 -10.633 -17.971 -17.762 1.00 11.42 N ATOM 947 CA VAL A 58 -11.808 -18.041 -16.901 1.00 51.43 C ATOM 948 C VAL A 58 -13.020 -17.403 -17.572 1.00 65.34 C ATOM 949 O VAL A 58 -14.128 -17.938 -17.515 1.00 63.24 O ATOM 950 CB VAL A 58 -11.557 -17.344 -15.551 1.00 12.51 C ATOM 951 CG1 VAL A 58 -12.742 -17.544 -14.618 1.00 25.41 C ATOM 952 CG2 VAL A 58 -10.274 -17.859 -14.916 1.00 54.21 C ATOM 0 H VAL A 58 -9.945 -17.273 -17.480 1.00 11.42 H new ATOM 0 HA VAL A 58 -12.008 -19.098 -16.724 1.00 51.43 H new ATOM 0 HB VAL A 58 -11.443 -16.275 -15.729 1.00 12.51 H new ATOM 0 HG11 VAL A 58 -12.546 -17.044 -13.669 1.00 25.41 H new ATOM 0 HG12 VAL A 58 -13.638 -17.122 -15.072 1.00 25.41 H new ATOM 0 HG13 VAL A 58 -12.892 -18.609 -14.443 1.00 25.41 H new ATOM 0 HG21 VAL A 58 -10.112 -17.356 -13.963 1.00 54.21 H new ATOM 0 HG22 VAL A 58 -10.356 -18.933 -14.750 1.00 54.21 H new ATOM 0 HG23 VAL A 58 -9.433 -17.658 -15.580 1.00 54.21 H new ATOM 962 N LEU A 59 -12.802 -16.258 -18.209 1.00 2.33 N ATOM 963 CA LEU A 59 -13.876 -15.546 -18.893 1.00 31.24 C ATOM 964 C LEU A 59 -14.302 -16.287 -20.156 1.00 43.12 C ATOM 965 O LEU A 59 -15.310 -15.949 -20.776 1.00 12.01 O ATOM 966 CB LEU A 59 -13.430 -14.126 -19.246 1.00 20.32 C ATOM 967 CG LEU A 59 -13.934 -13.015 -18.324 1.00 73.41 C ATOM 968 CD1 LEU A 59 -13.626 -13.346 -16.872 1.00 0.41 C ATOM 969 CD2 LEU A 59 -13.317 -11.679 -18.712 1.00 32.53 C ATOM 0 H LEU A 59 -11.891 -15.803 -18.266 1.00 2.33 H new ATOM 0 HA LEU A 59 -14.731 -15.494 -18.219 1.00 31.24 H new ATOM 0 HB2 LEU A 59 -12.340 -14.100 -19.251 1.00 20.32 H new ATOM 0 HB3 LEU A 59 -13.759 -13.905 -20.261 1.00 20.32 H new ATOM 0 HG LEU A 59 -15.016 -12.938 -18.436 1.00 73.41 H new ATOM 0 HD11 LEU A 59 -13.992 -12.544 -16.231 1.00 0.41 H new ATOM 0 HD12 LEU A 59 -14.116 -14.281 -16.600 1.00 0.41 H new ATOM 0 HD13 LEU A 59 -12.549 -13.451 -16.743 1.00 0.41 H new ATOM 0 HD21 LEU A 59 -13.687 -10.900 -18.045 1.00 32.53 H new ATOM 0 HD22 LEU A 59 -12.232 -11.742 -18.630 1.00 32.53 H new ATOM 0 HD23 LEU A 59 -13.590 -11.437 -19.739 1.00 32.53 H new ATOM 981 N SER A 60 -13.527 -17.300 -20.531 1.00 53.04 N ATOM 982 CA SER A 60 -13.823 -18.088 -21.722 1.00 71.11 C ATOM 983 C SER A 60 -15.014 -19.011 -21.481 1.00 11.41 C ATOM 984 O SER A 60 -15.570 -19.583 -22.419 1.00 0.14 O ATOM 985 CB SER A 60 -12.600 -18.912 -22.131 1.00 54.41 C ATOM 986 OG SER A 60 -12.948 -19.903 -23.082 1.00 32.44 O ATOM 0 H SER A 60 -12.690 -17.594 -20.028 1.00 53.04 H new ATOM 0 HA SER A 60 -14.076 -17.400 -22.529 1.00 71.11 H new ATOM 0 HB2 SER A 60 -11.838 -18.254 -22.549 1.00 54.41 H new ATOM 0 HB3 SER A 60 -12.165 -19.385 -21.251 1.00 54.41 H new ATOM 0 HG SER A 60 -13.924 -19.974 -23.139 1.00 32.44 H new ATOM 992 N ASP A 61 -15.400 -19.150 -20.217 1.00 52.44 N ATOM 993 CA ASP A 61 -16.526 -20.001 -19.851 1.00 62.42 C ATOM 994 C ASP A 61 -17.396 -19.328 -18.795 1.00 1.43 C ATOM 995 O ASP A 61 -16.896 -18.862 -17.771 1.00 34.30 O ATOM 996 CB ASP A 61 -16.025 -21.350 -19.333 1.00 24.25 C ATOM 997 CG ASP A 61 -16.935 -22.497 -19.727 1.00 11.53 C ATOM 998 OD1 ASP A 61 -16.414 -23.552 -20.145 1.00 1.21 O ATOM 999 OD2 ASP A 61 -18.169 -22.339 -19.616 1.00 43.23 O ATOM 0 H ASP A 61 -14.950 -18.684 -19.429 1.00 52.44 H new ATOM 0 HA ASP A 61 -17.131 -20.164 -20.743 1.00 62.42 H new ATOM 0 HB2 ASP A 61 -15.023 -21.535 -19.721 1.00 24.25 H new ATOM 0 HB3 ASP A 61 -15.944 -21.311 -18.247 1.00 24.25 H new ATOM 1004 N GLU A 62 -18.699 -19.279 -19.052 1.00 12.30 N ATOM 1005 CA GLU A 62 -19.638 -18.660 -18.123 1.00 42.23 C ATOM 1006 C GLU A 62 -19.506 -19.268 -16.730 1.00 45.00 C ATOM 1007 O GLU A 62 -19.592 -18.565 -15.723 1.00 24.21 O ATOM 1008 CB GLU A 62 -21.073 -18.823 -18.629 1.00 64.20 C ATOM 1009 CG GLU A 62 -21.442 -20.260 -18.957 1.00 54.02 C ATOM 1010 CD GLU A 62 -22.781 -20.372 -19.661 1.00 11.34 C ATOM 1011 OE1 GLU A 62 -23.262 -19.347 -20.188 1.00 71.42 O ATOM 1012 OE2 GLU A 62 -23.347 -21.485 -19.683 1.00 54.35 O ATOM 0 H GLU A 62 -19.129 -19.660 -19.895 1.00 12.30 H new ATOM 0 HA GLU A 62 -19.401 -17.598 -18.061 1.00 42.23 H new ATOM 0 HB2 GLU A 62 -21.761 -18.443 -17.874 1.00 64.20 H new ATOM 0 HB3 GLU A 62 -21.207 -18.210 -19.520 1.00 64.20 H new ATOM 0 HG2 GLU A 62 -20.667 -20.696 -19.587 1.00 54.02 H new ATOM 0 HG3 GLU A 62 -21.470 -20.843 -18.037 1.00 54.02 H new ATOM 1019 N VAL A 63 -19.296 -20.580 -16.681 1.00 13.23 N ATOM 1020 CA VAL A 63 -19.152 -21.284 -15.412 1.00 44.31 C ATOM 1021 C VAL A 63 -17.902 -20.825 -14.669 1.00 13.05 C ATOM 1022 O VAL A 63 -17.960 -20.480 -13.488 1.00 31.31 O ATOM 1023 CB VAL A 63 -19.081 -22.808 -15.621 1.00 64.10 C ATOM 1024 CG1 VAL A 63 -19.116 -23.533 -14.284 1.00 43.41 C ATOM 1025 CG2 VAL A 63 -20.215 -23.276 -16.520 1.00 52.40 C ATOM 0 H VAL A 63 -19.222 -21.176 -17.505 1.00 13.23 H new ATOM 0 HA VAL A 63 -20.033 -21.047 -14.816 1.00 44.31 H new ATOM 0 HB VAL A 63 -18.137 -23.046 -16.112 1.00 64.10 H new ATOM 0 HG11 VAL A 63 -19.065 -24.609 -14.452 1.00 43.41 H new ATOM 0 HG12 VAL A 63 -18.266 -23.220 -13.678 1.00 43.41 H new ATOM 0 HG13 VAL A 63 -20.042 -23.291 -13.763 1.00 43.41 H new ATOM 0 HG21 VAL A 63 -20.149 -24.355 -16.657 1.00 52.40 H new ATOM 0 HG22 VAL A 63 -21.171 -23.026 -16.060 1.00 52.40 H new ATOM 0 HG23 VAL A 63 -20.139 -22.782 -17.489 1.00 52.40 H new ATOM 1035 N LYS A 64 -16.772 -20.822 -15.367 1.00 71.42 N ATOM 1036 CA LYS A 64 -15.507 -20.404 -14.775 1.00 60.32 C ATOM 1037 C LYS A 64 -15.573 -18.949 -14.322 1.00 21.41 C ATOM 1038 O LYS A 64 -15.101 -18.605 -13.238 1.00 64.13 O ATOM 1039 CB LYS A 64 -14.366 -20.586 -15.779 1.00 0.32 C ATOM 1040 CG LYS A 64 -13.943 -22.033 -15.964 1.00 1.32 C ATOM 1041 CD LYS A 64 -12.455 -22.146 -16.250 1.00 61.32 C ATOM 1042 CE LYS A 64 -11.623 -21.801 -15.024 1.00 74.32 C ATOM 1043 NZ LYS A 64 -11.293 -23.010 -14.220 1.00 61.30 N ATOM 0 H LYS A 64 -16.706 -21.105 -16.345 1.00 71.42 H new ATOM 0 HA LYS A 64 -15.318 -21.029 -13.902 1.00 60.32 H new ATOM 0 HB2 LYS A 64 -14.673 -20.180 -16.743 1.00 0.32 H new ATOM 0 HB3 LYS A 64 -13.506 -20.004 -15.448 1.00 0.32 H new ATOM 0 HG2 LYS A 64 -14.186 -22.602 -15.067 1.00 1.32 H new ATOM 0 HG3 LYS A 64 -14.507 -22.476 -16.785 1.00 1.32 H new ATOM 0 HD2 LYS A 64 -12.222 -23.160 -16.575 1.00 61.32 H new ATOM 0 HD3 LYS A 64 -12.190 -21.479 -17.070 1.00 61.32 H new ATOM 0 HE2 LYS A 64 -10.701 -21.310 -15.337 1.00 74.32 H new ATOM 0 HE3 LYS A 64 -12.168 -21.090 -14.403 1.00 74.32 H new ATOM 0 HZ1 LYS A 64 -10.726 -22.733 -13.394 1.00 61.30 H new ATOM 0 HZ2 LYS A 64 -12.172 -23.465 -13.900 1.00 61.30 H new ATOM 0 HZ3 LYS A 64 -10.751 -23.678 -14.804 1.00 61.30 H new ATOM 1057 N ARG A 65 -16.162 -18.100 -15.157 1.00 75.21 N ATOM 1058 CA ARG A 65 -16.290 -16.683 -14.841 1.00 52.43 C ATOM 1059 C ARG A 65 -17.236 -16.471 -13.662 1.00 64.24 C ATOM 1060 O ARG A 65 -16.925 -15.732 -12.728 1.00 50.01 O ATOM 1061 CB ARG A 65 -16.798 -15.910 -16.061 1.00 24.54 C ATOM 1062 CG ARG A 65 -16.965 -14.421 -15.811 1.00 52.54 C ATOM 1063 CD ARG A 65 -17.415 -13.693 -17.068 1.00 52.44 C ATOM 1064 NE ARG A 65 -18.755 -14.097 -17.485 1.00 14.11 N ATOM 1065 CZ ARG A 65 -19.869 -13.613 -16.947 1.00 34.43 C ATOM 1066 NH1 ARG A 65 -19.804 -12.712 -15.976 1.00 62.41 N ATOM 1067 NH2 ARG A 65 -21.052 -14.031 -17.380 1.00 12.44 N ATOM 0 H ARG A 65 -16.558 -18.369 -16.058 1.00 75.21 H new ATOM 0 HA ARG A 65 -15.304 -16.308 -14.566 1.00 52.43 H new ATOM 0 HB2 ARG A 65 -16.103 -16.055 -16.888 1.00 24.54 H new ATOM 0 HB3 ARG A 65 -17.756 -16.327 -16.372 1.00 24.54 H new ATOM 0 HG2 ARG A 65 -17.695 -14.264 -15.017 1.00 52.54 H new ATOM 0 HG3 ARG A 65 -16.021 -14.001 -15.464 1.00 52.54 H new ATOM 0 HD2 ARG A 65 -17.400 -12.618 -16.889 1.00 52.44 H new ATOM 0 HD3 ARG A 65 -16.709 -13.892 -17.874 1.00 52.44 H new ATOM 0 HE ARG A 65 -18.840 -14.789 -18.230 1.00 14.11 H new ATOM 0 HH11 ARG A 65 -18.897 -12.389 -15.640 1.00 62.41 H new ATOM 0 HH12 ARG A 65 -20.661 -12.342 -15.565 1.00 62.41 H new ATOM 0 HH21 ARG A 65 -21.106 -14.724 -18.126 1.00 12.44 H new ATOM 0 HH22 ARG A 65 -21.907 -13.659 -16.966 1.00 12.44 H new ATOM 1081 N LYS A 66 -18.391 -17.125 -13.713 1.00 13.11 N ATOM 1082 CA LYS A 66 -19.383 -17.010 -12.650 1.00 62.31 C ATOM 1083 C LYS A 66 -18.828 -17.536 -11.330 1.00 14.12 C ATOM 1084 O LYS A 66 -19.016 -16.922 -10.280 1.00 0.11 O ATOM 1085 CB LYS A 66 -20.653 -17.778 -13.024 1.00 64.20 C ATOM 1086 CG LYS A 66 -21.491 -17.087 -14.086 1.00 24.41 C ATOM 1087 CD LYS A 66 -22.150 -15.830 -13.545 1.00 34.11 C ATOM 1088 CE LYS A 66 -22.261 -14.754 -14.614 1.00 60.35 C ATOM 1089 NZ LYS A 66 -23.099 -13.608 -14.164 1.00 64.41 N ATOM 0 H LYS A 66 -18.664 -17.741 -14.479 1.00 13.11 H new ATOM 0 HA LYS A 66 -19.627 -15.955 -12.527 1.00 62.31 H new ATOM 0 HB2 LYS A 66 -20.376 -18.770 -13.380 1.00 64.20 H new ATOM 0 HB3 LYS A 66 -21.259 -17.919 -12.129 1.00 64.20 H new ATOM 0 HG2 LYS A 66 -20.861 -16.831 -14.938 1.00 24.41 H new ATOM 0 HG3 LYS A 66 -22.256 -17.772 -14.450 1.00 24.41 H new ATOM 0 HD2 LYS A 66 -23.143 -16.073 -13.167 1.00 34.11 H new ATOM 0 HD3 LYS A 66 -21.573 -15.449 -12.703 1.00 34.11 H new ATOM 0 HE2 LYS A 66 -21.265 -14.396 -14.873 1.00 60.35 H new ATOM 0 HE3 LYS A 66 -22.690 -15.184 -15.519 1.00 60.35 H new ATOM 0 HZ1 LYS A 66 -23.150 -12.897 -14.921 1.00 64.41 H new ATOM 0 HZ2 LYS A 66 -24.057 -13.945 -13.941 1.00 64.41 H new ATOM 0 HZ3 LYS A 66 -22.676 -13.181 -13.315 1.00 64.41 H new ATOM 1103 N GLN A 67 -18.145 -18.674 -11.392 1.00 4.04 N ATOM 1104 CA GLN A 67 -17.563 -19.281 -10.200 1.00 43.51 C ATOM 1105 C GLN A 67 -16.577 -18.328 -9.530 1.00 75.34 C ATOM 1106 O GLN A 67 -16.514 -18.246 -8.303 1.00 75.35 O ATOM 1107 CB GLN A 67 -16.860 -20.590 -10.560 1.00 64.35 C ATOM 1108 CG GLN A 67 -17.808 -21.768 -10.712 1.00 73.34 C ATOM 1109 CD GLN A 67 -18.626 -22.024 -9.462 1.00 14.21 C ATOM 1110 OE1 GLN A 67 -18.186 -22.724 -8.550 1.00 63.42 O ATOM 1111 NE2 GLN A 67 -19.825 -21.455 -9.412 1.00 74.32 N ATOM 0 H GLN A 67 -17.981 -19.194 -12.254 1.00 4.04 H new ATOM 0 HA GLN A 67 -18.371 -19.492 -9.499 1.00 43.51 H new ATOM 0 HB2 GLN A 67 -16.311 -20.454 -11.492 1.00 64.35 H new ATOM 0 HB3 GLN A 67 -16.126 -20.822 -9.789 1.00 64.35 H new ATOM 0 HG2 GLN A 67 -18.480 -21.583 -11.550 1.00 73.34 H new ATOM 0 HG3 GLN A 67 -17.234 -22.662 -10.955 1.00 73.34 H new ATOM 0 HE21 GLN A 67 -20.151 -20.882 -10.191 1.00 74.32 H new ATOM 0 HE22 GLN A 67 -20.420 -21.591 -8.595 1.00 74.32 H new ATOM 1120 N TYR A 68 -15.810 -17.611 -10.343 1.00 71.04 N ATOM 1121 CA TYR A 68 -14.826 -16.666 -9.829 1.00 64.35 C ATOM 1122 C TYR A 68 -15.506 -15.424 -9.264 1.00 14.23 C ATOM 1123 O TYR A 68 -15.078 -14.876 -8.248 1.00 14.13 O ATOM 1124 CB TYR A 68 -13.846 -16.266 -10.934 1.00 73.43 C ATOM 1125 CG TYR A 68 -12.612 -15.559 -10.423 1.00 11.55 C ATOM 1126 CD1 TYR A 68 -11.537 -16.276 -9.913 1.00 31.35 C ATOM 1127 CD2 TYR A 68 -12.521 -14.172 -10.448 1.00 32.41 C ATOM 1128 CE1 TYR A 68 -10.408 -15.634 -9.443 1.00 43.11 C ATOM 1129 CE2 TYR A 68 -11.395 -13.522 -9.982 1.00 52.20 C ATOM 1130 CZ TYR A 68 -10.341 -14.257 -9.480 1.00 53.24 C ATOM 1131 OH TYR A 68 -9.218 -13.612 -9.014 1.00 75.31 O ATOM 0 H TYR A 68 -15.851 -17.666 -11.361 1.00 71.04 H new ATOM 0 HA TYR A 68 -14.277 -17.155 -9.024 1.00 64.35 H new ATOM 0 HB2 TYR A 68 -13.543 -17.159 -11.480 1.00 73.43 H new ATOM 0 HB3 TYR A 68 -14.358 -15.617 -11.645 1.00 73.43 H new ATOM 0 HD1 TYR A 68 -11.585 -17.355 -9.883 1.00 31.35 H new ATOM 0 HD2 TYR A 68 -13.345 -13.593 -10.838 1.00 32.41 H new ATOM 0 HE1 TYR A 68 -9.582 -16.207 -9.049 1.00 43.11 H new ATOM 0 HE2 TYR A 68 -11.340 -12.444 -10.010 1.00 52.20 H new ATOM 0 HH TYR A 68 -9.332 -12.644 -9.113 1.00 75.31 H new ATOM 1141 N ASP A 69 -16.569 -14.985 -9.929 1.00 34.22 N ATOM 1142 CA ASP A 69 -17.312 -13.808 -9.493 1.00 33.51 C ATOM 1143 C ASP A 69 -17.895 -14.020 -8.099 1.00 55.41 C ATOM 1144 O ASP A 69 -18.068 -13.069 -7.337 1.00 53.34 O ATOM 1145 CB ASP A 69 -18.432 -13.489 -10.485 1.00 21.42 C ATOM 1146 CG ASP A 69 -19.482 -12.568 -9.896 1.00 21.01 C ATOM 1147 OD1 ASP A 69 -20.561 -13.067 -9.513 1.00 41.35 O ATOM 1148 OD2 ASP A 69 -19.225 -11.348 -9.818 1.00 71.12 O ATOM 0 H ASP A 69 -16.936 -15.426 -10.772 1.00 34.22 H new ATOM 0 HA ASP A 69 -16.621 -12.966 -9.454 1.00 33.51 H new ATOM 0 HB2 ASP A 69 -18.005 -13.026 -11.374 1.00 21.42 H new ATOM 0 HB3 ASP A 69 -18.905 -14.417 -10.805 1.00 21.42 H new ATOM 1153 N ALA A 70 -18.198 -15.272 -7.773 1.00 63.02 N ATOM 1154 CA ALA A 70 -18.761 -15.608 -6.471 1.00 44.03 C ATOM 1155 C ALA A 70 -17.736 -15.402 -5.361 1.00 14.44 C ATOM 1156 O ALA A 70 -18.093 -15.084 -4.226 1.00 4.24 O ATOM 1157 CB ALA A 70 -19.263 -17.044 -6.468 1.00 72.13 C ATOM 0 H ALA A 70 -18.063 -16.071 -8.393 1.00 63.02 H new ATOM 0 HA ALA A 70 -19.602 -14.940 -6.283 1.00 44.03 H new ATOM 0 HB1 ALA A 70 -19.681 -17.281 -5.490 1.00 72.13 H new ATOM 0 HB2 ALA A 70 -20.034 -17.162 -7.230 1.00 72.13 H new ATOM 0 HB3 ALA A 70 -18.435 -17.719 -6.682 1.00 72.13 H new ATOM 1163 N TYR A 71 -16.464 -15.585 -5.694 1.00 42.24 N ATOM 1164 CA TYR A 71 -15.388 -15.422 -4.724 1.00 0.31 C ATOM 1165 C TYR A 71 -14.616 -14.131 -4.978 1.00 43.24 C ATOM 1166 O TYR A 71 -13.438 -14.022 -4.640 1.00 42.45 O ATOM 1167 CB TYR A 71 -14.436 -16.618 -4.780 1.00 54.01 C ATOM 1168 CG TYR A 71 -15.085 -17.927 -4.390 1.00 52.21 C ATOM 1169 CD1 TYR A 71 -15.695 -18.080 -3.151 1.00 71.10 C ATOM 1170 CD2 TYR A 71 -15.088 -19.010 -5.260 1.00 23.21 C ATOM 1171 CE1 TYR A 71 -16.289 -19.274 -2.790 1.00 23.21 C ATOM 1172 CE2 TYR A 71 -15.680 -20.207 -4.908 1.00 31.42 C ATOM 1173 CZ TYR A 71 -16.279 -20.335 -3.672 1.00 10.41 C ATOM 1174 OH TYR A 71 -16.869 -21.526 -3.317 1.00 21.11 O ATOM 0 H TYR A 71 -16.152 -15.847 -6.629 1.00 42.24 H new ATOM 0 HA TYR A 71 -15.834 -15.368 -3.731 1.00 0.31 H new ATOM 0 HB2 TYR A 71 -14.037 -16.707 -5.790 1.00 54.01 H new ATOM 0 HB3 TYR A 71 -13.590 -16.430 -4.118 1.00 54.01 H new ATOM 0 HD1 TYR A 71 -15.705 -17.251 -2.458 1.00 71.10 H new ATOM 0 HD2 TYR A 71 -14.619 -18.914 -6.228 1.00 23.21 H new ATOM 0 HE1 TYR A 71 -16.759 -19.376 -1.823 1.00 23.21 H new ATOM 0 HE2 TYR A 71 -15.674 -21.039 -5.597 1.00 31.42 H new ATOM 0 HH TYR A 71 -16.775 -22.169 -4.051 1.00 21.11 H new ATOM 1184 N GLY A 72 -15.290 -13.154 -5.577 1.00 50.41 N ATOM 1185 CA GLY A 72 -14.653 -11.882 -5.867 1.00 30.30 C ATOM 1186 C GLY A 72 -15.110 -10.779 -4.934 1.00 11.31 C ATOM 1187 O GLY A 72 -15.980 -10.991 -4.089 1.00 61.22 O ATOM 0 H GLY A 72 -16.266 -13.220 -5.867 1.00 50.41 H new ATOM 0 HA2 GLY A 72 -13.572 -11.995 -5.789 1.00 30.30 H new ATOM 0 HA3 GLY A 72 -14.871 -11.596 -6.896 1.00 30.30 H new ATOM 1191 N SER A 73 -14.522 -9.596 -5.085 1.00 24.50 N ATOM 1192 CA SER A 73 -14.870 -8.456 -4.245 1.00 64.40 C ATOM 1193 C SER A 73 -15.629 -7.403 -5.046 1.00 74.40 C ATOM 1194 O SER A 73 -15.681 -7.461 -6.274 1.00 4.35 O ATOM 1195 CB SER A 73 -13.608 -7.840 -3.638 1.00 12.53 C ATOM 1196 OG SER A 73 -13.899 -6.608 -3.000 1.00 31.03 O ATOM 0 H SER A 73 -13.802 -9.402 -5.781 1.00 24.50 H new ATOM 0 HA SER A 73 -15.515 -8.811 -3.442 1.00 64.40 H new ATOM 0 HB2 SER A 73 -13.172 -8.532 -2.918 1.00 12.53 H new ATOM 0 HB3 SER A 73 -12.864 -7.682 -4.419 1.00 12.53 H new ATOM 0 HG SER A 73 -13.077 -6.235 -2.619 1.00 31.03 H new TER 1202 SER A 73