USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1061 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 126 SER OG : rot -8:sc= -0.0203 USER MOD Set 1.2: A 128 SER OG : rot 160:sc=-0.00706 USER MOD Set 2.1: A 107 TYR OH : rot 0:sc= -1.63! USER MOD Set 2.2: A 125 LYS NZ :NH3+ -167:sc= 0.364 (180deg=-0.438) USER MOD Single : A 9 THR OG1 : rot 121:sc= -1.12 USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 0.812 (180deg=0.791) USER MOD Single : A 23 GLN : amide:sc= -0.0998 K(o=-0.1,f=-3.2!) USER MOD Single : A 24 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.142) USER MOD Single : A 25 HIS : no HD1:sc= -0.27 K(o=-0.27,f=-0.85) USER MOD Single : A 28 ASN : amide:sc= 0.168 X(o=0.17,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 149:sc= 1.24 (180deg=0.574) USER MOD Single : A 31 THR OG1 : rot 39:sc= 0.0198 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -108:sc= -0.525 (180deg=-2.51!) USER MOD Single : A 37 LYS NZ :NH3+ 174:sc=-0.000365 (180deg=-0.0404) USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= 0.628 (180deg=0.469) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 162:sc= 0.861 (180deg=0.584) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.36) USER MOD Single : A 67 LYS NZ :NH3+ 137:sc= 0.233 (180deg=0) USER MOD Single : A 72 TYR OH : rot -99:sc= 0.00479 USER MOD Single : A 74 GLN : amide:sc= 0.134 X(o=0.13,f=-0.14) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 94 LYS NZ :NH3+ -168:sc= -0.0137 (180deg=-0.23) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -169:sc= 0.462 (180deg=0.0541) USER MOD Single : A 100 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0193) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -113:sc= 0.36 (180deg=-0.489) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.205 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -130:sc= -0.694 USER MOD Single : A 111 ASN : amide:sc= -0.401 K(o=-0.4,f=-4.4!) USER MOD Single : A 116 LYS NZ :NH3+ -133:sc= 0.562 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -119:sc= -0.0805 (180deg=-0.823) USER MOD Single : A 118 LYS NZ :NH3+ -177:sc= 0.337 (180deg=0.312) USER MOD Single : A 120 LYS NZ :NH3+ -126:sc= -1.69 (180deg=-3.98!) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 5.697 -1.959 13.200 1.00 21.13 N ATOM 21 CA GLY A 2 5.360 -2.483 11.872 1.00 65.31 C ATOM 22 C GLY A 2 4.024 -1.937 11.361 1.00 72.41 C ATOM 23 O GLY A 2 3.028 -1.958 12.086 1.00 52.33 O ATOM 0 HA2 GLY A 2 6.151 -2.223 11.168 1.00 65.31 H new ATOM 0 HA3 GLY A 2 5.315 -3.571 11.913 1.00 65.31 H new ATOM 27 N VAL A 3 4.021 -1.411 10.128 1.00 73.55 N ATOM 28 CA VAL A 3 2.831 -0.821 9.465 1.00 20.31 C ATOM 29 C VAL A 3 2.871 -1.228 7.974 1.00 64.24 C ATOM 30 O VAL A 3 3.899 -1.048 7.326 1.00 63.42 O ATOM 31 CB VAL A 3 2.825 0.757 9.584 1.00 32.34 C ATOM 32 CG1 VAL A 3 1.631 1.377 8.834 1.00 4.31 C ATOM 33 CG2 VAL A 3 2.850 1.235 11.060 1.00 23.40 C ATOM 0 H VAL A 3 4.858 -1.379 9.546 1.00 73.55 H new ATOM 0 HA VAL A 3 1.928 -1.190 9.950 1.00 20.31 H new ATOM 0 HB VAL A 3 3.743 1.105 9.111 1.00 32.34 H new ATOM 0 HG11 VAL A 3 1.660 2.462 8.938 1.00 4.31 H new ATOM 0 HG12 VAL A 3 1.687 1.112 7.778 1.00 4.31 H new ATOM 0 HG13 VAL A 3 0.700 0.997 9.255 1.00 4.31 H new ATOM 0 HG21 VAL A 3 2.845 2.325 11.090 1.00 23.40 H new ATOM 0 HG22 VAL A 3 1.972 0.854 11.581 1.00 23.40 H new ATOM 0 HG23 VAL A 3 3.751 0.863 11.548 1.00 23.40 H new ATOM 43 N VAL A 4 1.776 -1.781 7.429 1.00 33.03 N ATOM 44 CA VAL A 4 1.751 -2.277 6.036 1.00 44.30 C ATOM 45 C VAL A 4 0.931 -1.330 5.134 1.00 71.42 C ATOM 46 O VAL A 4 -0.283 -1.198 5.293 1.00 13.21 O ATOM 47 CB VAL A 4 1.188 -3.742 5.977 1.00 62.21 C ATOM 48 CG1 VAL A 4 1.155 -4.291 4.532 1.00 11.24 C ATOM 49 CG2 VAL A 4 2.008 -4.676 6.902 1.00 24.34 C ATOM 0 H VAL A 4 0.894 -1.898 7.928 1.00 33.03 H new ATOM 0 HA VAL A 4 2.774 -2.296 5.661 1.00 44.30 H new ATOM 0 HB VAL A 4 0.158 -3.712 6.334 1.00 62.21 H new ATOM 0 HG11 VAL A 4 0.759 -5.306 4.538 1.00 11.24 H new ATOM 0 HG12 VAL A 4 0.518 -3.656 3.916 1.00 11.24 H new ATOM 0 HG13 VAL A 4 2.165 -4.298 4.122 1.00 11.24 H new ATOM 0 HG21 VAL A 4 1.604 -5.687 6.849 1.00 24.34 H new ATOM 0 HG22 VAL A 4 3.049 -4.684 6.580 1.00 24.34 H new ATOM 0 HG23 VAL A 4 1.948 -4.315 7.929 1.00 24.34 H new ATOM 59 N ILE A 5 1.637 -0.667 4.205 1.00 54.04 N ATOM 60 CA ILE A 5 1.066 0.264 3.220 1.00 31.44 C ATOM 61 C ILE A 5 0.945 -0.457 1.855 1.00 71.12 C ATOM 62 O ILE A 5 1.951 -0.728 1.216 1.00 14.14 O ATOM 63 CB ILE A 5 1.962 1.564 3.043 1.00 51.24 C ATOM 64 CG1 ILE A 5 2.143 2.366 4.389 1.00 44.33 C ATOM 65 CG2 ILE A 5 1.394 2.478 1.929 1.00 24.12 C ATOM 66 CD1 ILE A 5 3.175 1.799 5.356 1.00 4.03 C ATOM 0 H ILE A 5 2.648 -0.767 4.116 1.00 54.04 H new ATOM 0 HA ILE A 5 0.087 0.578 3.582 1.00 31.44 H new ATOM 0 HB ILE A 5 2.953 1.223 2.745 1.00 51.24 H new ATOM 0 HG12 ILE A 5 2.423 3.391 4.146 1.00 44.33 H new ATOM 0 HG13 ILE A 5 1.180 2.410 4.898 1.00 44.33 H new ATOM 0 HG21 ILE A 5 2.024 3.361 1.827 1.00 24.12 H new ATOM 0 HG22 ILE A 5 1.376 1.933 0.985 1.00 24.12 H new ATOM 0 HG23 ILE A 5 0.381 2.784 2.190 1.00 24.12 H new ATOM 0 HD11 ILE A 5 3.221 2.425 6.247 1.00 4.03 H new ATOM 0 HD12 ILE A 5 2.891 0.785 5.638 1.00 4.03 H new ATOM 0 HD13 ILE A 5 4.153 1.781 4.875 1.00 4.03 H new ATOM 78 N LEU A 6 -0.283 -0.768 1.431 1.00 74.24 N ATOM 79 CA LEU A 6 -0.569 -1.417 0.141 1.00 14.32 C ATOM 80 C LEU A 6 -1.030 -0.373 -0.884 1.00 5.43 C ATOM 81 O LEU A 6 -2.161 0.102 -0.822 1.00 61.24 O ATOM 82 CB LEU A 6 -1.674 -2.476 0.347 1.00 41.32 C ATOM 83 CG LEU A 6 -1.398 -3.514 1.461 1.00 5.10 C ATOM 84 CD1 LEU A 6 -2.636 -4.370 1.740 1.00 41.45 C ATOM 85 CD2 LEU A 6 -0.181 -4.377 1.117 1.00 70.23 C ATOM 0 H LEU A 6 -1.121 -0.575 1.979 1.00 74.24 H new ATOM 0 HA LEU A 6 0.335 -1.896 -0.235 1.00 14.32 H new ATOM 0 HB2 LEU A 6 -2.608 -1.962 0.575 1.00 41.32 H new ATOM 0 HB3 LEU A 6 -1.824 -3.008 -0.593 1.00 41.32 H new ATOM 0 HG LEU A 6 -1.167 -2.971 2.377 1.00 5.10 H new ATOM 0 HD11 LEU A 6 -2.411 -5.090 2.527 1.00 41.45 H new ATOM 0 HD12 LEU A 6 -3.458 -3.729 2.059 1.00 41.45 H new ATOM 0 HD13 LEU A 6 -2.922 -4.902 0.833 1.00 41.45 H new ATOM 0 HD21 LEU A 6 -0.009 -5.098 1.916 1.00 70.23 H new ATOM 0 HD22 LEU A 6 -0.364 -4.908 0.183 1.00 70.23 H new ATOM 0 HD23 LEU A 6 0.697 -3.741 1.007 1.00 70.23 H new ATOM 97 N VAL A 7 -0.142 -0.010 -1.807 1.00 4.51 N ATOM 98 CA VAL A 7 -0.450 0.924 -2.889 1.00 1.12 C ATOM 99 C VAL A 7 -0.975 0.150 -4.121 1.00 14.54 C ATOM 100 O VAL A 7 -0.196 -0.481 -4.835 1.00 63.21 O ATOM 101 CB VAL A 7 0.823 1.768 -3.276 1.00 44.05 C ATOM 102 CG1 VAL A 7 0.469 2.888 -4.276 1.00 24.15 C ATOM 103 CG2 VAL A 7 1.515 2.339 -2.018 1.00 52.55 C ATOM 0 H VAL A 7 0.817 -0.357 -1.826 1.00 4.51 H new ATOM 0 HA VAL A 7 -1.223 1.611 -2.545 1.00 1.12 H new ATOM 0 HB VAL A 7 1.528 1.098 -3.768 1.00 44.05 H new ATOM 0 HG11 VAL A 7 1.368 3.452 -4.523 1.00 24.15 H new ATOM 0 HG12 VAL A 7 0.055 2.448 -5.184 1.00 24.15 H new ATOM 0 HG13 VAL A 7 -0.267 3.556 -3.829 1.00 24.15 H new ATOM 0 HG21 VAL A 7 2.390 2.917 -2.315 1.00 52.55 H new ATOM 0 HG22 VAL A 7 0.819 2.984 -1.481 1.00 52.55 H new ATOM 0 HG23 VAL A 7 1.824 1.519 -1.369 1.00 52.55 H new ATOM 113 N LEU A 8 -2.296 0.220 -4.358 1.00 41.12 N ATOM 114 CA LEU A 8 -2.950 -0.408 -5.518 1.00 32.04 C ATOM 115 C LEU A 8 -2.901 0.569 -6.696 1.00 64.13 C ATOM 116 O LEU A 8 -3.688 1.510 -6.747 1.00 54.11 O ATOM 117 CB LEU A 8 -4.443 -0.763 -5.214 1.00 5.35 C ATOM 118 CG LEU A 8 -4.727 -2.010 -4.320 1.00 34.45 C ATOM 119 CD1 LEU A 8 -4.156 -1.857 -2.897 1.00 55.14 C ATOM 120 CD2 LEU A 8 -6.242 -2.314 -4.296 1.00 33.14 C ATOM 0 H LEU A 8 -2.944 0.717 -3.746 1.00 41.12 H new ATOM 0 HA LEU A 8 -2.422 -1.332 -5.753 1.00 32.04 H new ATOM 0 HB2 LEU A 8 -4.903 0.103 -4.737 1.00 5.35 H new ATOM 0 HB3 LEU A 8 -4.953 -0.910 -6.166 1.00 5.35 H new ATOM 0 HG LEU A 8 -4.209 -2.860 -4.764 1.00 34.45 H new ATOM 0 HD11 LEU A 8 -4.381 -2.752 -2.316 1.00 55.14 H new ATOM 0 HD12 LEU A 8 -3.076 -1.722 -2.951 1.00 55.14 H new ATOM 0 HD13 LEU A 8 -4.607 -0.989 -2.415 1.00 55.14 H new ATOM 0 HD21 LEU A 8 -6.428 -3.186 -3.669 1.00 33.14 H new ATOM 0 HD22 LEU A 8 -6.779 -1.456 -3.892 1.00 33.14 H new ATOM 0 HD23 LEU A 8 -6.589 -2.515 -5.310 1.00 33.14 H new ATOM 132 N THR A 9 -1.995 0.336 -7.655 1.00 4.34 N ATOM 133 CA THR A 9 -1.865 1.196 -8.836 1.00 13.43 C ATOM 134 C THR A 9 -2.434 0.467 -10.058 1.00 4.13 C ATOM 135 O THR A 9 -2.089 -0.692 -10.311 1.00 1.13 O ATOM 136 CB THR A 9 -0.364 1.555 -9.096 1.00 31.32 C ATOM 137 OG1 THR A 9 0.402 0.354 -9.288 1.00 73.22 O ATOM 138 CG2 THR A 9 0.251 2.364 -7.944 1.00 53.31 C ATOM 0 H THR A 9 -1.339 -0.445 -7.634 1.00 4.34 H new ATOM 0 HA THR A 9 -2.418 2.119 -8.661 1.00 13.43 H new ATOM 0 HB THR A 9 -0.334 2.173 -9.994 1.00 31.32 H new ATOM 0 HG1 THR A 9 0.822 0.372 -10.173 1.00 73.22 H new ATOM 0 HG21 THR A 9 1.293 2.588 -8.172 1.00 53.31 H new ATOM 0 HG22 THR A 9 -0.301 3.295 -7.818 1.00 53.31 H new ATOM 0 HG23 THR A 9 0.198 1.783 -7.023 1.00 53.31 H new ATOM 146 N GLY A 10 -3.261 1.185 -10.843 1.00 14.51 N ATOM 147 CA GLY A 10 -3.841 0.655 -12.081 1.00 12.43 C ATOM 148 C GLY A 10 -2.821 0.589 -13.209 1.00 44.20 C ATOM 149 O GLY A 10 -3.049 -0.060 -14.233 1.00 2.53 O ATOM 0 H GLY A 10 -3.541 2.143 -10.634 1.00 14.51 H new ATOM 0 HA2 GLY A 10 -4.241 -0.342 -11.896 1.00 12.43 H new ATOM 0 HA3 GLY A 10 -4.678 1.283 -12.386 1.00 12.43 H new ATOM 153 N ASP A 11 -1.693 1.290 -13.002 1.00 54.42 N ATOM 154 CA ASP A 11 -0.532 1.272 -13.893 1.00 3.21 C ATOM 155 C ASP A 11 0.735 0.960 -13.077 1.00 55.23 C ATOM 156 O ASP A 11 0.992 1.581 -12.036 1.00 20.44 O ATOM 157 CB ASP A 11 -0.398 2.625 -14.645 1.00 74.20 C ATOM 158 CG ASP A 11 0.944 2.785 -15.386 1.00 70.12 C ATOM 159 OD1 ASP A 11 1.329 1.872 -16.155 1.00 44.14 O ATOM 160 OD2 ASP A 11 1.633 3.800 -15.172 1.00 61.12 O ATOM 0 H ASP A 11 -1.566 1.896 -12.192 1.00 54.42 H new ATOM 0 HA ASP A 11 -0.665 0.493 -14.643 1.00 3.21 H new ATOM 0 HB2 ASP A 11 -1.213 2.715 -15.363 1.00 74.20 H new ATOM 0 HB3 ASP A 11 -0.510 3.441 -13.931 1.00 74.20 H new ATOM 165 N GLU A 12 1.527 0.008 -13.594 1.00 55.42 N ATOM 166 CA GLU A 12 2.765 -0.477 -12.962 1.00 71.04 C ATOM 167 C GLU A 12 3.865 0.607 -12.944 1.00 71.32 C ATOM 168 O GLU A 12 4.723 0.609 -12.057 1.00 32.44 O ATOM 169 CB GLU A 12 3.266 -1.740 -13.714 1.00 54.43 C ATOM 170 CG GLU A 12 3.598 -1.505 -15.207 1.00 74.13 C ATOM 171 CD GLU A 12 3.995 -2.788 -15.950 1.00 44.21 C ATOM 172 OE1 GLU A 12 3.095 -3.489 -16.468 1.00 32.44 O ATOM 173 OE2 GLU A 12 5.204 -3.114 -16.001 1.00 43.51 O ATOM 0 H GLU A 12 1.322 -0.455 -14.479 1.00 55.42 H new ATOM 0 HA GLU A 12 2.542 -0.728 -11.925 1.00 71.04 H new ATOM 0 HB2 GLU A 12 4.156 -2.118 -13.211 1.00 54.43 H new ATOM 0 HB3 GLU A 12 2.505 -2.517 -13.641 1.00 54.43 H new ATOM 0 HG2 GLU A 12 2.732 -1.062 -15.699 1.00 74.13 H new ATOM 0 HG3 GLU A 12 4.412 -0.783 -15.282 1.00 74.13 H new ATOM 180 N ARG A 13 3.824 1.533 -13.929 1.00 13.04 N ATOM 181 CA ARG A 13 4.852 2.579 -14.083 1.00 15.52 C ATOM 182 C ARG A 13 4.708 3.675 -13.016 1.00 23.53 C ATOM 183 O ARG A 13 5.711 4.266 -12.599 1.00 33.03 O ATOM 184 CB ARG A 13 4.823 3.185 -15.509 1.00 63.32 C ATOM 185 CG ARG A 13 5.067 2.167 -16.648 1.00 11.21 C ATOM 186 CD ARG A 13 6.374 1.366 -16.468 1.00 13.41 C ATOM 187 NE ARG A 13 7.542 2.242 -16.221 1.00 44.15 N ATOM 188 CZ ARG A 13 8.826 1.846 -16.209 1.00 31.14 C ATOM 189 NH1 ARG A 13 9.159 0.583 -16.439 1.00 34.41 N ATOM 190 NH2 ARG A 13 9.771 2.728 -15.930 1.00 33.01 N ATOM 0 H ARG A 13 3.085 1.574 -14.631 1.00 13.04 H new ATOM 0 HA ARG A 13 5.823 2.105 -13.938 1.00 15.52 H new ATOM 0 HB2 ARG A 13 3.856 3.662 -15.667 1.00 63.32 H new ATOM 0 HB3 ARG A 13 5.578 3.968 -15.572 1.00 63.32 H new ATOM 0 HG2 ARG A 13 4.226 1.475 -16.696 1.00 11.21 H new ATOM 0 HG3 ARG A 13 5.099 2.696 -17.601 1.00 11.21 H new ATOM 0 HD2 ARG A 13 6.260 0.673 -15.635 1.00 13.41 H new ATOM 0 HD3 ARG A 13 6.555 0.766 -17.360 1.00 13.41 H new ATOM 0 HE ARG A 13 7.356 3.229 -16.045 1.00 44.15 H new ATOM 0 HH11 ARG A 13 8.434 -0.109 -16.630 1.00 34.41 H new ATOM 0 HH12 ARG A 13 10.140 0.304 -16.425 1.00 34.41 H new ATOM 0 HH21 ARG A 13 9.521 3.696 -15.727 1.00 33.01 H new ATOM 0 HH22 ARG A 13 10.750 2.440 -15.918 1.00 33.01 H new ATOM 204 N ILE A 14 3.463 3.939 -12.572 1.00 44.51 N ATOM 205 CA ILE A 14 3.213 4.841 -11.432 1.00 13.23 C ATOM 206 C ILE A 14 3.813 4.223 -10.151 1.00 23.54 C ATOM 207 O ILE A 14 4.528 4.900 -9.422 1.00 53.44 O ATOM 208 CB ILE A 14 1.679 5.154 -11.225 1.00 72.33 C ATOM 209 CG1 ILE A 14 1.082 5.848 -12.493 1.00 23.43 C ATOM 210 CG2 ILE A 14 1.454 6.029 -9.961 1.00 71.33 C ATOM 211 CD1 ILE A 14 -0.421 6.101 -12.443 1.00 4.31 C ATOM 0 H ILE A 14 2.619 3.542 -12.984 1.00 44.51 H new ATOM 0 HA ILE A 14 3.696 5.793 -11.652 1.00 13.23 H new ATOM 0 HB ILE A 14 1.159 4.208 -11.075 1.00 72.33 H new ATOM 0 HG12 ILE A 14 1.591 6.801 -12.640 1.00 23.43 H new ATOM 0 HG13 ILE A 14 1.302 5.231 -13.364 1.00 23.43 H new ATOM 0 HG21 ILE A 14 0.389 6.230 -9.842 1.00 71.33 H new ATOM 0 HG22 ILE A 14 1.824 5.501 -9.082 1.00 71.33 H new ATOM 0 HG23 ILE A 14 1.991 6.971 -10.071 1.00 71.33 H new ATOM 0 HD11 ILE A 14 -0.739 6.585 -13.366 1.00 4.31 H new ATOM 0 HD12 ILE A 14 -0.946 5.152 -12.331 1.00 4.31 H new ATOM 0 HD13 ILE A 14 -0.653 6.747 -11.596 1.00 4.31 H new ATOM 223 N ALA A 15 3.556 2.911 -9.934 1.00 32.33 N ATOM 224 CA ALA A 15 4.111 2.143 -8.788 1.00 61.24 C ATOM 225 C ALA A 15 5.654 2.149 -8.787 1.00 74.05 C ATOM 226 O ALA A 15 6.285 2.161 -7.726 1.00 2.23 O ATOM 227 CB ALA A 15 3.593 0.697 -8.823 1.00 23.24 C ATOM 0 H ALA A 15 2.960 2.354 -10.546 1.00 32.33 H new ATOM 0 HA ALA A 15 3.776 2.629 -7.872 1.00 61.24 H new ATOM 0 HB1 ALA A 15 4.005 0.142 -7.980 1.00 23.24 H new ATOM 0 HB2 ALA A 15 2.505 0.699 -8.759 1.00 23.24 H new ATOM 0 HB3 ALA A 15 3.901 0.223 -9.755 1.00 23.24 H new ATOM 233 N GLU A 16 6.228 2.147 -10.002 1.00 25.45 N ATOM 234 CA GLU A 16 7.683 2.159 -10.228 1.00 51.20 C ATOM 235 C GLU A 16 8.275 3.516 -9.769 1.00 12.42 C ATOM 236 O GLU A 16 9.325 3.557 -9.116 1.00 65.44 O ATOM 237 CB GLU A 16 7.952 1.867 -11.743 1.00 61.32 C ATOM 238 CG GLU A 16 9.363 1.337 -12.110 1.00 73.24 C ATOM 239 CD GLU A 16 10.481 2.394 -12.088 1.00 32.11 C ATOM 240 OE1 GLU A 16 10.439 3.330 -12.915 1.00 52.12 O ATOM 241 OE2 GLU A 16 11.427 2.266 -11.275 1.00 74.51 O ATOM 0 H GLU A 16 5.687 2.137 -10.867 1.00 25.45 H new ATOM 0 HA GLU A 16 8.177 1.385 -9.640 1.00 51.20 H new ATOM 0 HB2 GLU A 16 7.216 1.140 -12.085 1.00 61.32 H new ATOM 0 HB3 GLU A 16 7.777 2.786 -12.303 1.00 61.32 H new ATOM 0 HG2 GLU A 16 9.626 0.538 -11.417 1.00 73.24 H new ATOM 0 HG3 GLU A 16 9.321 0.895 -13.106 1.00 73.24 H new ATOM 248 N GLU A 17 7.554 4.611 -10.090 1.00 4.52 N ATOM 249 CA GLU A 17 7.915 5.977 -9.655 1.00 71.01 C ATOM 250 C GLU A 17 7.738 6.143 -8.140 1.00 11.02 C ATOM 251 O GLU A 17 8.545 6.807 -7.486 1.00 51.35 O ATOM 252 CB GLU A 17 7.052 7.029 -10.402 1.00 32.51 C ATOM 253 CG GLU A 17 7.330 7.126 -11.909 1.00 70.11 C ATOM 254 CD GLU A 17 8.798 7.476 -12.221 1.00 33.32 C ATOM 255 OE1 GLU A 17 9.203 8.636 -12.004 1.00 51.43 O ATOM 256 OE2 GLU A 17 9.556 6.598 -12.675 1.00 33.22 O ATOM 0 H GLU A 17 6.707 4.573 -10.657 1.00 4.52 H new ATOM 0 HA GLU A 17 8.966 6.135 -9.898 1.00 71.01 H new ATOM 0 HB2 GLU A 17 5.999 6.788 -10.254 1.00 32.51 H new ATOM 0 HB3 GLU A 17 7.222 8.006 -9.950 1.00 32.51 H new ATOM 0 HG2 GLU A 17 7.078 6.177 -12.383 1.00 70.11 H new ATOM 0 HG3 GLU A 17 6.679 7.883 -12.346 1.00 70.11 H new ATOM 263 N LEU A 18 6.679 5.523 -7.597 1.00 21.32 N ATOM 264 CA LEU A 18 6.342 5.610 -6.169 1.00 14.20 C ATOM 265 C LEU A 18 7.374 4.857 -5.314 1.00 61.42 C ATOM 266 O LEU A 18 7.634 5.235 -4.172 1.00 14.14 O ATOM 267 CB LEU A 18 4.901 5.092 -5.919 1.00 2.22 C ATOM 268 CG LEU A 18 3.754 5.940 -6.556 1.00 72.14 C ATOM 269 CD1 LEU A 18 2.375 5.333 -6.248 1.00 50.45 C ATOM 270 CD2 LEU A 18 3.832 7.418 -6.119 1.00 43.44 C ATOM 0 H LEU A 18 6.032 4.947 -8.136 1.00 21.32 H new ATOM 0 HA LEU A 18 6.375 6.657 -5.868 1.00 14.20 H new ATOM 0 HB2 LEU A 18 4.830 4.074 -6.301 1.00 2.22 H new ATOM 0 HB3 LEU A 18 4.735 5.041 -4.843 1.00 2.22 H new ATOM 0 HG LEU A 18 3.890 5.915 -7.637 1.00 72.14 H new ATOM 0 HD11 LEU A 18 1.598 5.946 -6.705 1.00 50.45 H new ATOM 0 HD12 LEU A 18 2.324 4.322 -6.652 1.00 50.45 H new ATOM 0 HD13 LEU A 18 2.224 5.301 -5.169 1.00 50.45 H new ATOM 0 HD21 LEU A 18 3.019 7.978 -6.581 1.00 43.44 H new ATOM 0 HD22 LEU A 18 3.746 7.482 -5.034 1.00 43.44 H new ATOM 0 HD23 LEU A 18 4.787 7.840 -6.432 1.00 43.44 H new ATOM 282 N ARG A 19 7.977 3.807 -5.896 1.00 21.51 N ATOM 283 CA ARG A 19 9.076 3.056 -5.262 1.00 34.35 C ATOM 284 C ARG A 19 10.285 3.983 -5.036 1.00 62.14 C ATOM 285 O ARG A 19 10.924 3.943 -3.980 1.00 74.00 O ATOM 286 CB ARG A 19 9.454 1.835 -6.136 1.00 5.03 C ATOM 287 CG ARG A 19 10.566 0.937 -5.553 1.00 32.51 C ATOM 288 CD ARG A 19 10.832 -0.296 -6.432 1.00 72.42 C ATOM 289 NE ARG A 19 11.165 0.083 -7.815 1.00 72.43 N ATOM 290 CZ ARG A 19 11.263 -0.759 -8.850 1.00 5.34 C ATOM 291 NH1 ARG A 19 11.065 -2.059 -8.702 1.00 45.21 N ATOM 292 NH2 ARG A 19 11.589 -0.290 -10.037 1.00 75.10 N ATOM 0 H ARG A 19 7.718 3.455 -6.817 1.00 21.51 H new ATOM 0 HA ARG A 19 8.751 2.686 -4.290 1.00 34.35 H new ATOM 0 HB2 ARG A 19 8.562 1.228 -6.292 1.00 5.03 H new ATOM 0 HB3 ARG A 19 9.772 2.192 -7.115 1.00 5.03 H new ATOM 0 HG2 ARG A 19 11.484 1.516 -5.453 1.00 32.51 H new ATOM 0 HG3 ARG A 19 10.283 0.614 -4.551 1.00 32.51 H new ATOM 0 HD2 ARG A 19 11.651 -0.876 -6.007 1.00 72.42 H new ATOM 0 HD3 ARG A 19 9.952 -0.939 -6.433 1.00 72.42 H new ATOM 0 HE ARG A 19 11.335 1.072 -8.000 1.00 72.43 H new ATOM 0 HH11 ARG A 19 10.832 -2.438 -7.784 1.00 45.21 H new ATOM 0 HH12 ARG A 19 11.145 -2.682 -9.506 1.00 45.21 H new ATOM 0 HH21 ARG A 19 11.764 0.707 -10.161 1.00 75.10 H new ATOM 0 HH22 ARG A 19 11.666 -0.924 -10.832 1.00 75.10 H new ATOM 306 N LYS A 20 10.535 4.856 -6.030 1.00 42.13 N ATOM 307 CA LYS A 20 11.599 5.872 -5.972 1.00 65.30 C ATOM 308 C LYS A 20 11.299 6.910 -4.882 1.00 42.11 C ATOM 309 O LYS A 20 12.216 7.371 -4.189 1.00 4.52 O ATOM 310 CB LYS A 20 11.734 6.582 -7.345 1.00 24.21 C ATOM 311 CG LYS A 20 12.018 5.622 -8.510 1.00 2.11 C ATOM 312 CD LYS A 20 12.095 6.329 -9.879 1.00 43.12 C ATOM 313 CE LYS A 20 12.458 5.352 -11.002 1.00 23.50 C ATOM 314 NZ LYS A 20 12.406 5.980 -12.339 1.00 35.14 N ATOM 0 H LYS A 20 10.001 4.875 -6.899 1.00 42.13 H new ATOM 0 HA LYS A 20 12.537 5.371 -5.730 1.00 65.30 H new ATOM 0 HB2 LYS A 20 10.815 7.130 -7.553 1.00 24.21 H new ATOM 0 HB3 LYS A 20 12.537 7.317 -7.287 1.00 24.21 H new ATOM 0 HG2 LYS A 20 12.958 5.104 -8.323 1.00 2.11 H new ATOM 0 HG3 LYS A 20 11.237 4.863 -8.545 1.00 2.11 H new ATOM 0 HD2 LYS A 20 11.136 6.798 -10.101 1.00 43.12 H new ATOM 0 HD3 LYS A 20 12.837 7.126 -9.836 1.00 43.12 H new ATOM 0 HE2 LYS A 20 13.460 4.959 -10.828 1.00 23.50 H new ATOM 0 HE3 LYS A 20 11.774 4.504 -10.976 1.00 23.50 H new ATOM 0 HZ1 LYS A 20 12.741 5.303 -13.054 1.00 35.14 H new ATOM 0 HZ2 LYS A 20 11.427 6.256 -12.555 1.00 35.14 H new ATOM 0 HZ3 LYS A 20 13.014 6.824 -12.350 1.00 35.14 H new ATOM 328 N GLU A 21 10.002 7.271 -4.747 1.00 1.35 N ATOM 329 CA GLU A 21 9.541 8.266 -3.762 1.00 22.20 C ATOM 330 C GLU A 21 9.822 7.800 -2.328 1.00 42.34 C ATOM 331 O GLU A 21 10.253 8.598 -1.494 1.00 54.24 O ATOM 332 CB GLU A 21 8.037 8.590 -3.931 1.00 44.51 C ATOM 333 CG GLU A 21 7.640 9.083 -5.333 1.00 12.34 C ATOM 334 CD GLU A 21 8.568 10.183 -5.887 1.00 4.31 C ATOM 335 OE1 GLU A 21 8.665 11.267 -5.267 1.00 62.15 O ATOM 336 OE2 GLU A 21 9.216 9.963 -6.936 1.00 32.12 O ATOM 0 H GLU A 21 9.252 6.880 -5.317 1.00 1.35 H new ATOM 0 HA GLU A 21 10.106 9.179 -3.949 1.00 22.20 H new ATOM 0 HB2 GLU A 21 7.458 7.696 -3.697 1.00 44.51 H new ATOM 0 HB3 GLU A 21 7.759 9.350 -3.201 1.00 44.51 H new ATOM 0 HG2 GLU A 21 7.642 8.237 -6.020 1.00 12.34 H new ATOM 0 HG3 GLU A 21 6.619 9.464 -5.299 1.00 12.34 H new ATOM 343 N VAL A 22 9.585 6.492 -2.068 1.00 15.44 N ATOM 344 CA VAL A 22 9.825 5.881 -0.747 1.00 75.40 C ATOM 345 C VAL A 22 11.325 5.910 -0.405 1.00 34.25 C ATOM 346 O VAL A 22 11.695 6.303 0.689 1.00 32.11 O ATOM 347 CB VAL A 22 9.301 4.398 -0.660 1.00 43.14 C ATOM 348 CG1 VAL A 22 9.530 3.802 0.755 1.00 25.32 C ATOM 349 CG2 VAL A 22 7.812 4.303 -1.056 1.00 31.01 C ATOM 0 H VAL A 22 9.225 5.839 -2.764 1.00 15.44 H new ATOM 0 HA VAL A 22 9.265 6.475 -0.025 1.00 75.40 H new ATOM 0 HB VAL A 22 9.877 3.808 -1.373 1.00 43.14 H new ATOM 0 HG11 VAL A 22 9.158 2.778 0.783 1.00 25.32 H new ATOM 0 HG12 VAL A 22 10.596 3.807 0.984 1.00 25.32 H new ATOM 0 HG13 VAL A 22 8.997 4.402 1.493 1.00 25.32 H new ATOM 0 HG21 VAL A 22 7.482 3.267 -0.985 1.00 31.01 H new ATOM 0 HG22 VAL A 22 7.216 4.920 -0.383 1.00 31.01 H new ATOM 0 HG23 VAL A 22 7.685 4.655 -2.080 1.00 31.01 H new ATOM 359 N GLN A 23 12.168 5.524 -1.379 1.00 12.33 N ATOM 360 CA GLN A 23 13.639 5.454 -1.192 1.00 12.14 C ATOM 361 C GLN A 23 14.254 6.841 -0.888 1.00 4.51 C ATOM 362 O GLN A 23 15.289 6.934 -0.220 1.00 24.34 O ATOM 363 CB GLN A 23 14.306 4.827 -2.446 1.00 73.43 C ATOM 364 CG GLN A 23 13.848 3.385 -2.776 1.00 33.22 C ATOM 365 CD GLN A 23 14.371 2.286 -1.826 1.00 61.15 C ATOM 366 OE1 GLN A 23 14.636 2.512 -0.648 1.00 63.00 O ATOM 367 NE2 GLN A 23 14.508 1.075 -2.344 1.00 43.43 N ATOM 0 H GLN A 23 11.858 5.253 -2.312 1.00 12.33 H new ATOM 0 HA GLN A 23 13.831 4.820 -0.326 1.00 12.14 H new ATOM 0 HB2 GLN A 23 14.100 5.464 -3.306 1.00 73.43 H new ATOM 0 HB3 GLN A 23 15.387 4.826 -2.302 1.00 73.43 H new ATOM 0 HG2 GLN A 23 12.758 3.358 -2.769 1.00 33.22 H new ATOM 0 HG3 GLN A 23 14.166 3.145 -3.791 1.00 33.22 H new ATOM 0 HE21 GLN A 23 14.282 0.911 -3.325 1.00 43.43 H new ATOM 0 HE22 GLN A 23 14.840 0.306 -1.762 1.00 43.43 H new ATOM 376 N LYS A 24 13.615 7.915 -1.401 1.00 1.23 N ATOM 377 CA LYS A 24 14.067 9.308 -1.172 1.00 44.24 C ATOM 378 C LYS A 24 13.459 9.907 0.119 1.00 4.23 C ATOM 379 O LYS A 24 14.075 10.777 0.745 1.00 51.34 O ATOM 380 CB LYS A 24 13.738 10.203 -2.400 1.00 63.33 C ATOM 381 CG LYS A 24 14.464 9.800 -3.707 1.00 1.21 C ATOM 382 CD LYS A 24 16.010 9.807 -3.572 1.00 2.23 C ATOM 383 CE LYS A 24 16.733 9.612 -4.921 1.00 62.30 C ATOM 384 NZ LYS A 24 16.470 10.731 -5.869 1.00 72.11 N ATOM 0 H LYS A 24 12.779 7.844 -1.981 1.00 1.23 H new ATOM 0 HA LYS A 24 15.149 9.281 -1.041 1.00 44.24 H new ATOM 0 HB2 LYS A 24 12.662 10.176 -2.575 1.00 63.33 H new ATOM 0 HB3 LYS A 24 13.996 11.235 -2.160 1.00 63.33 H new ATOM 0 HG2 LYS A 24 14.136 8.804 -4.006 1.00 1.21 H new ATOM 0 HG3 LYS A 24 14.172 10.484 -4.504 1.00 1.21 H new ATOM 0 HD2 LYS A 24 16.326 10.752 -3.130 1.00 2.23 H new ATOM 0 HD3 LYS A 24 16.313 9.016 -2.886 1.00 2.23 H new ATOM 0 HE2 LYS A 24 17.806 9.530 -4.747 1.00 62.30 H new ATOM 0 HE3 LYS A 24 16.410 8.673 -5.372 1.00 62.30 H new ATOM 0 HZ1 LYS A 24 17.114 10.656 -6.682 1.00 72.11 H new ATOM 0 HZ2 LYS A 24 15.486 10.680 -6.202 1.00 72.11 H new ATOM 0 HZ3 LYS A 24 16.626 11.639 -5.386 1.00 72.11 H new ATOM 398 N HIS A 25 12.250 9.447 0.502 1.00 34.14 N ATOM 399 CA HIS A 25 11.521 9.954 1.697 1.00 4.53 C ATOM 400 C HIS A 25 12.092 9.301 2.980 1.00 63.02 C ATOM 401 O HIS A 25 12.426 9.994 3.954 1.00 61.23 O ATOM 402 CB HIS A 25 9.993 9.665 1.538 1.00 4.22 C ATOM 403 CG HIS A 25 9.094 10.258 2.606 1.00 72.34 C ATOM 404 ND1 HIS A 25 8.401 11.432 2.397 1.00 22.44 N ATOM 405 CD2 HIS A 25 8.759 9.771 3.829 1.00 51.13 C ATOM 406 CE1 HIS A 25 7.671 11.624 3.483 1.00 0.12 C ATOM 407 NE2 HIS A 25 7.856 10.648 4.372 1.00 22.41 N ATOM 0 H HIS A 25 11.748 8.716 -0.002 1.00 34.14 H new ATOM 0 HA HIS A 25 11.657 11.032 1.783 1.00 4.53 H new ATOM 0 HB2 HIS A 25 9.670 10.042 0.568 1.00 4.22 H new ATOM 0 HB3 HIS A 25 9.846 8.585 1.525 1.00 4.22 H new ATOM 0 HD2 HIS A 25 9.132 8.866 4.286 1.00 51.13 H new ATOM 0 HE1 HIS A 25 7.009 12.465 3.631 1.00 0.12 H new ATOM 0 HE2 HIS A 25 7.409 10.569 5.285 1.00 22.41 H new ATOM 415 N ASP A 26 12.184 7.964 2.948 1.00 51.44 N ATOM 416 CA ASP A 26 12.801 7.140 4.004 1.00 23.44 C ATOM 417 C ASP A 26 13.125 5.736 3.426 1.00 40.21 C ATOM 418 O ASP A 26 12.215 4.912 3.268 1.00 12.32 O ATOM 419 CB ASP A 26 11.869 7.020 5.247 1.00 35.02 C ATOM 420 CG ASP A 26 12.519 6.227 6.399 1.00 62.04 C ATOM 421 OD1 ASP A 26 13.362 6.791 7.130 1.00 71.41 O ATOM 422 OD2 ASP A 26 12.199 5.041 6.581 1.00 42.40 O ATOM 0 H ASP A 26 11.824 7.410 2.171 1.00 51.44 H new ATOM 0 HA ASP A 26 13.721 7.621 4.335 1.00 23.44 H new ATOM 0 HB2 ASP A 26 11.608 8.018 5.599 1.00 35.02 H new ATOM 0 HB3 ASP A 26 10.939 6.532 4.954 1.00 35.02 H new ATOM 427 N PRO A 27 14.422 5.450 3.072 1.00 54.45 N ATOM 428 CA PRO A 27 14.829 4.148 2.467 1.00 62.40 C ATOM 429 C PRO A 27 14.851 2.976 3.471 1.00 45.11 C ATOM 430 O PRO A 27 15.148 1.837 3.087 1.00 64.45 O ATOM 431 CB PRO A 27 16.249 4.451 1.919 1.00 12.21 C ATOM 432 CG PRO A 27 16.786 5.506 2.840 1.00 3.13 C ATOM 433 CD PRO A 27 15.591 6.372 3.211 1.00 31.04 C ATOM 0 HA PRO A 27 14.120 3.815 1.708 1.00 62.40 H new ATOM 0 HB2 PRO A 27 16.877 3.560 1.927 1.00 12.21 H new ATOM 0 HB3 PRO A 27 16.210 4.805 0.889 1.00 12.21 H new ATOM 0 HG2 PRO A 27 17.237 5.060 3.726 1.00 3.13 H new ATOM 0 HG3 PRO A 27 17.561 6.096 2.351 1.00 3.13 H new ATOM 0 HD2 PRO A 27 15.677 6.758 4.227 1.00 31.04 H new ATOM 0 HD3 PRO A 27 15.501 7.234 2.549 1.00 31.04 H new ATOM 441 N ASN A 28 14.549 3.264 4.756 1.00 74.25 N ATOM 442 CA ASN A 28 14.438 2.231 5.807 1.00 11.53 C ATOM 443 C ASN A 28 13.110 1.462 5.656 1.00 42.31 C ATOM 444 O ASN A 28 12.976 0.325 6.136 1.00 24.52 O ATOM 445 CB ASN A 28 14.548 2.867 7.219 1.00 13.12 C ATOM 446 CG ASN A 28 15.850 3.636 7.430 1.00 31.53 C ATOM 447 OD1 ASN A 28 16.866 3.068 7.836 1.00 25.54 O ATOM 448 ND2 ASN A 28 15.832 4.934 7.162 1.00 65.03 N ATOM 0 H ASN A 28 14.377 4.212 5.091 1.00 74.25 H new ATOM 0 HA ASN A 28 15.263 1.528 5.691 1.00 11.53 H new ATOM 0 HB2 ASN A 28 13.706 3.541 7.374 1.00 13.12 H new ATOM 0 HB3 ASN A 28 14.471 2.082 7.971 1.00 13.12 H new ATOM 0 HD21 ASN A 28 16.675 5.493 7.290 1.00 65.03 H new ATOM 0 HD22 ASN A 28 14.975 5.374 6.827 1.00 65.03 H new ATOM 455 N VAL A 29 12.131 2.107 4.997 1.00 11.31 N ATOM 456 CA VAL A 29 10.880 1.461 4.576 1.00 42.32 C ATOM 457 C VAL A 29 11.148 0.641 3.296 1.00 2.05 C ATOM 458 O VAL A 29 11.563 1.203 2.275 1.00 40.52 O ATOM 459 CB VAL A 29 9.741 2.509 4.288 1.00 54.22 C ATOM 460 CG1 VAL A 29 8.403 1.814 3.943 1.00 25.23 C ATOM 461 CG2 VAL A 29 9.561 3.480 5.467 1.00 64.14 C ATOM 0 H VAL A 29 12.188 3.093 4.742 1.00 11.31 H new ATOM 0 HA VAL A 29 10.542 0.818 5.389 1.00 42.32 H new ATOM 0 HB VAL A 29 10.051 3.088 3.418 1.00 54.22 H new ATOM 0 HG11 VAL A 29 7.640 2.568 3.750 1.00 25.23 H new ATOM 0 HG12 VAL A 29 8.533 1.195 3.056 1.00 25.23 H new ATOM 0 HG13 VAL A 29 8.092 1.189 4.780 1.00 25.23 H new ATOM 0 HG21 VAL A 29 8.767 4.190 5.236 1.00 64.14 H new ATOM 0 HG22 VAL A 29 9.296 2.919 6.363 1.00 64.14 H new ATOM 0 HG23 VAL A 29 10.492 4.020 5.639 1.00 64.14 H new ATOM 471 N LYS A 30 10.936 -0.682 3.369 1.00 41.25 N ATOM 472 CA LYS A 30 11.118 -1.588 2.213 1.00 73.24 C ATOM 473 C LYS A 30 9.961 -1.492 1.222 1.00 73.22 C ATOM 474 O LYS A 30 8.865 -1.043 1.560 1.00 40.15 O ATOM 475 CB LYS A 30 11.324 -3.051 2.658 1.00 14.20 C ATOM 476 CG LYS A 30 12.780 -3.354 3.036 1.00 53.33 C ATOM 477 CD LYS A 30 13.058 -4.854 3.173 1.00 60.55 C ATOM 478 CE LYS A 30 12.396 -5.486 4.413 1.00 3.33 C ATOM 479 NZ LYS A 30 12.747 -6.924 4.551 1.00 2.31 N ATOM 0 H LYS A 30 10.636 -1.156 4.221 1.00 41.25 H new ATOM 0 HA LYS A 30 12.023 -1.257 1.704 1.00 73.24 H new ATOM 0 HB2 LYS A 30 10.680 -3.261 3.512 1.00 14.20 H new ATOM 0 HB3 LYS A 30 11.015 -3.718 1.854 1.00 14.20 H new ATOM 0 HG2 LYS A 30 13.442 -2.934 2.279 1.00 53.33 H new ATOM 0 HG3 LYS A 30 13.017 -2.858 3.977 1.00 53.33 H new ATOM 0 HD2 LYS A 30 12.702 -5.366 2.279 1.00 60.55 H new ATOM 0 HD3 LYS A 30 14.135 -5.014 3.224 1.00 60.55 H new ATOM 0 HE2 LYS A 30 12.710 -4.947 5.307 1.00 3.33 H new ATOM 0 HE3 LYS A 30 11.313 -5.381 4.341 1.00 3.33 H new ATOM 0 HZ1 LYS A 30 12.764 -7.182 5.558 1.00 2.31 H new ATOM 0 HZ2 LYS A 30 12.039 -7.503 4.057 1.00 2.31 H new ATOM 0 HZ3 LYS A 30 13.685 -7.094 4.134 1.00 2.31 H new ATOM 493 N THR A 31 10.234 -1.944 -0.009 1.00 71.21 N ATOM 494 CA THR A 31 9.281 -1.884 -1.128 1.00 41.11 C ATOM 495 C THR A 31 9.169 -3.262 -1.801 1.00 25.35 C ATOM 496 O THR A 31 10.180 -3.837 -2.222 1.00 73.04 O ATOM 497 CB THR A 31 9.694 -0.776 -2.160 1.00 10.31 C ATOM 498 OG1 THR A 31 11.090 -0.898 -2.486 1.00 22.22 O ATOM 499 CG2 THR A 31 9.416 0.645 -1.625 1.00 43.44 C ATOM 0 H THR A 31 11.129 -2.365 -0.259 1.00 71.21 H new ATOM 0 HA THR A 31 8.300 -1.614 -0.737 1.00 41.11 H new ATOM 0 HB THR A 31 9.088 -0.925 -3.054 1.00 10.31 H new ATOM 0 HG1 THR A 31 11.328 -1.846 -2.557 1.00 22.22 H new ATOM 0 HG21 THR A 31 9.717 1.380 -2.371 1.00 43.44 H new ATOM 0 HG22 THR A 31 8.352 0.754 -1.417 1.00 43.44 H new ATOM 0 HG23 THR A 31 9.983 0.806 -0.708 1.00 43.44 H new ATOM 507 N VAL A 32 7.933 -3.803 -1.852 1.00 1.55 N ATOM 508 CA VAL A 32 7.641 -5.145 -2.396 1.00 23.24 C ATOM 509 C VAL A 32 6.670 -5.031 -3.596 1.00 52.50 C ATOM 510 O VAL A 32 5.551 -4.559 -3.420 1.00 21.13 O ATOM 511 CB VAL A 32 7.015 -6.081 -1.290 1.00 70.30 C ATOM 512 CG1 VAL A 32 6.637 -7.468 -1.858 1.00 61.34 C ATOM 513 CG2 VAL A 32 7.969 -6.228 -0.089 1.00 73.23 C ATOM 0 H VAL A 32 7.103 -3.316 -1.514 1.00 1.55 H new ATOM 0 HA VAL A 32 8.580 -5.587 -2.730 1.00 23.24 H new ATOM 0 HB VAL A 32 6.097 -5.605 -0.946 1.00 70.30 H new ATOM 0 HG11 VAL A 32 6.210 -8.082 -1.065 1.00 61.34 H new ATOM 0 HG12 VAL A 32 5.906 -7.347 -2.657 1.00 61.34 H new ATOM 0 HG13 VAL A 32 7.529 -7.955 -2.253 1.00 61.34 H new ATOM 0 HG21 VAL A 32 7.515 -6.878 0.659 1.00 73.23 H new ATOM 0 HG22 VAL A 32 8.911 -6.663 -0.424 1.00 73.23 H new ATOM 0 HG23 VAL A 32 8.157 -5.247 0.348 1.00 73.23 H new ATOM 523 N PRO A 33 7.086 -5.445 -4.834 1.00 54.32 N ATOM 524 CA PRO A 33 6.207 -5.422 -6.035 1.00 45.12 C ATOM 525 C PRO A 33 5.133 -6.544 -6.043 1.00 4.41 C ATOM 526 O PRO A 33 5.107 -7.417 -5.168 1.00 12.44 O ATOM 527 CB PRO A 33 7.218 -5.600 -7.198 1.00 61.11 C ATOM 528 CG PRO A 33 8.334 -6.405 -6.602 1.00 73.34 C ATOM 529 CD PRO A 33 8.456 -5.926 -5.169 1.00 24.20 C ATOM 0 HA PRO A 33 5.616 -4.508 -6.091 1.00 45.12 H new ATOM 0 HB2 PRO A 33 6.764 -6.116 -8.044 1.00 61.11 H new ATOM 0 HB3 PRO A 33 7.574 -4.638 -7.565 1.00 61.11 H new ATOM 0 HG2 PRO A 33 8.114 -7.472 -6.642 1.00 73.34 H new ATOM 0 HG3 PRO A 33 9.265 -6.251 -7.148 1.00 73.34 H new ATOM 0 HD2 PRO A 33 8.771 -6.731 -4.504 1.00 24.20 H new ATOM 0 HD3 PRO A 33 9.193 -5.129 -5.076 1.00 24.20 H new ATOM 537 N THR A 34 4.276 -6.501 -7.084 1.00 3.03 N ATOM 538 CA THR A 34 3.143 -7.435 -7.273 1.00 13.42 C ATOM 539 C THR A 34 3.615 -8.881 -7.551 1.00 65.14 C ATOM 540 O THR A 34 2.931 -9.849 -7.189 1.00 42.32 O ATOM 541 CB THR A 34 2.251 -6.965 -8.466 1.00 30.30 C ATOM 542 OG1 THR A 34 3.045 -6.929 -9.661 1.00 33.13 O ATOM 543 CG2 THR A 34 1.643 -5.575 -8.245 1.00 50.15 C ATOM 0 H THR A 34 4.351 -5.807 -7.828 1.00 3.03 H new ATOM 0 HA THR A 34 2.574 -7.431 -6.343 1.00 13.42 H new ATOM 0 HB THR A 34 1.430 -7.677 -8.551 1.00 30.30 H new ATOM 0 HG1 THR A 34 2.490 -6.636 -10.414 1.00 33.13 H new ATOM 0 HG21 THR A 34 1.034 -5.303 -9.107 1.00 50.15 H new ATOM 0 HG22 THR A 34 1.020 -5.588 -7.350 1.00 50.15 H new ATOM 0 HG23 THR A 34 2.442 -4.844 -8.120 1.00 50.15 H new ATOM 551 N LYS A 35 4.786 -8.995 -8.217 1.00 65.30 N ATOM 552 CA LYS A 35 5.398 -10.294 -8.592 1.00 70.22 C ATOM 553 C LYS A 35 5.782 -11.114 -7.346 1.00 44.20 C ATOM 554 O LYS A 35 5.907 -12.338 -7.398 1.00 51.14 O ATOM 555 CB LYS A 35 6.654 -10.058 -9.482 1.00 53.00 C ATOM 556 CG LYS A 35 7.845 -9.372 -8.766 1.00 64.04 C ATOM 557 CD LYS A 35 9.058 -9.056 -9.681 1.00 73.23 C ATOM 558 CE LYS A 35 9.781 -10.302 -10.250 1.00 24.31 C ATOM 559 NZ LYS A 35 9.019 -10.992 -11.334 1.00 55.04 N ATOM 0 H LYS A 35 5.336 -8.188 -8.511 1.00 65.30 H new ATOM 0 HA LYS A 35 4.658 -10.862 -9.156 1.00 70.22 H new ATOM 0 HB2 LYS A 35 6.989 -11.019 -9.873 1.00 53.00 H new ATOM 0 HB3 LYS A 35 6.365 -9.449 -10.338 1.00 53.00 H new ATOM 0 HG2 LYS A 35 7.495 -8.443 -8.317 1.00 64.04 H new ATOM 0 HG3 LYS A 35 8.180 -10.014 -7.951 1.00 64.04 H new ATOM 0 HD2 LYS A 35 8.718 -8.439 -10.513 1.00 73.23 H new ATOM 0 HD3 LYS A 35 9.777 -8.462 -9.116 1.00 73.23 H new ATOM 0 HE2 LYS A 35 10.755 -10.002 -10.636 1.00 24.31 H new ATOM 0 HE3 LYS A 35 9.963 -11.008 -9.440 1.00 24.31 H new ATOM 0 HZ1 LYS A 35 8.642 -11.892 -10.975 1.00 55.04 H new ATOM 0 HZ2 LYS A 35 8.232 -10.387 -11.645 1.00 55.04 H new ATOM 0 HZ3 LYS A 35 9.651 -11.178 -12.139 1.00 55.04 H new ATOM 573 N ASP A 36 5.959 -10.402 -6.230 1.00 30.44 N ATOM 574 CA ASP A 36 6.333 -10.972 -4.937 1.00 54.11 C ATOM 575 C ASP A 36 5.082 -11.183 -4.054 1.00 13.00 C ATOM 576 O ASP A 36 5.153 -11.032 -2.841 1.00 70.44 O ATOM 577 CB ASP A 36 7.357 -10.017 -4.252 1.00 63.42 C ATOM 578 CG ASP A 36 8.776 -10.024 -4.852 1.00 71.31 C ATOM 579 OD1 ASP A 36 9.125 -10.966 -5.597 1.00 11.11 O ATOM 580 OD2 ASP A 36 9.568 -9.107 -4.535 1.00 41.15 O ATOM 0 H ASP A 36 5.843 -9.389 -6.202 1.00 30.44 H new ATOM 0 HA ASP A 36 6.794 -11.949 -5.079 1.00 54.11 H new ATOM 0 HB2 ASP A 36 6.967 -9.000 -4.299 1.00 63.42 H new ATOM 0 HB3 ASP A 36 7.426 -10.283 -3.197 1.00 63.42 H new ATOM 585 N LYS A 37 3.971 -11.607 -4.689 1.00 44.01 N ATOM 586 CA LYS A 37 2.625 -11.762 -4.060 1.00 72.02 C ATOM 587 C LYS A 37 2.653 -12.610 -2.756 1.00 2.42 C ATOM 588 O LYS A 37 2.024 -12.252 -1.752 1.00 5.04 O ATOM 589 CB LYS A 37 1.670 -12.405 -5.105 1.00 43.31 C ATOM 590 CG LYS A 37 0.198 -12.549 -4.652 1.00 52.14 C ATOM 591 CD LYS A 37 -0.712 -13.161 -5.746 1.00 53.34 C ATOM 592 CE LYS A 37 -0.342 -14.609 -6.110 1.00 71.23 C ATOM 593 NZ LYS A 37 -0.454 -15.538 -4.955 1.00 43.13 N ATOM 0 H LYS A 37 3.975 -11.860 -5.677 1.00 44.01 H new ATOM 0 HA LYS A 37 2.273 -10.774 -3.765 1.00 72.02 H new ATOM 0 HB2 LYS A 37 1.696 -11.805 -6.015 1.00 43.31 H new ATOM 0 HB3 LYS A 37 2.052 -13.393 -5.363 1.00 43.31 H new ATOM 0 HG2 LYS A 37 0.157 -13.175 -3.760 1.00 52.14 H new ATOM 0 HG3 LYS A 37 -0.188 -11.569 -4.372 1.00 52.14 H new ATOM 0 HD2 LYS A 37 -1.747 -13.133 -5.404 1.00 53.34 H new ATOM 0 HD3 LYS A 37 -0.656 -12.543 -6.642 1.00 53.34 H new ATOM 0 HE2 LYS A 37 -0.993 -14.955 -6.913 1.00 71.23 H new ATOM 0 HE3 LYS A 37 0.678 -14.634 -6.493 1.00 71.23 H new ATOM 0 HZ1 LYS A 37 -0.293 -16.514 -5.277 1.00 43.13 H new ATOM 0 HZ2 LYS A 37 0.257 -15.288 -4.238 1.00 43.13 H new ATOM 0 HZ3 LYS A 37 -1.405 -15.463 -4.540 1.00 43.13 H new ATOM 607 N GLU A 38 3.402 -13.722 -2.797 1.00 41.12 N ATOM 608 CA GLU A 38 3.585 -14.659 -1.656 1.00 61.03 C ATOM 609 C GLU A 38 4.511 -14.030 -0.617 1.00 1.31 C ATOM 610 O GLU A 38 4.269 -14.062 0.597 1.00 71.32 O ATOM 611 CB GLU A 38 4.242 -15.954 -2.188 1.00 60.53 C ATOM 612 CG GLU A 38 3.425 -16.671 -3.287 1.00 43.55 C ATOM 613 CD GLU A 38 4.221 -17.775 -3.996 1.00 15.12 C ATOM 614 OE1 GLU A 38 4.278 -18.910 -3.478 1.00 5.44 O ATOM 615 OE2 GLU A 38 4.824 -17.496 -5.061 1.00 13.20 O ATOM 0 H GLU A 38 3.910 -14.009 -3.634 1.00 41.12 H new ATOM 0 HA GLU A 38 2.620 -14.876 -1.198 1.00 61.03 H new ATOM 0 HB2 GLU A 38 5.229 -15.712 -2.583 1.00 60.53 H new ATOM 0 HB3 GLU A 38 4.392 -16.641 -1.355 1.00 60.53 H new ATOM 0 HG2 GLU A 38 2.529 -17.104 -2.843 1.00 43.55 H new ATOM 0 HG3 GLU A 38 3.094 -15.939 -4.023 1.00 43.55 H new ATOM 622 N LYS A 39 5.563 -13.440 -1.173 1.00 64.23 N ATOM 623 CA LYS A 39 6.692 -12.853 -0.461 1.00 1.15 C ATOM 624 C LYS A 39 6.245 -11.659 0.412 1.00 53.54 C ATOM 625 O LYS A 39 6.866 -11.396 1.439 1.00 63.14 O ATOM 626 CB LYS A 39 7.737 -12.492 -1.558 1.00 12.11 C ATOM 627 CG LYS A 39 9.077 -11.874 -1.123 1.00 1.43 C ATOM 628 CD LYS A 39 9.041 -10.323 -1.013 1.00 43.53 C ATOM 629 CE LYS A 39 10.429 -9.676 -0.884 1.00 54.14 C ATOM 630 NZ LYS A 39 11.226 -9.802 -2.132 1.00 30.21 N ATOM 0 H LYS A 39 5.656 -13.354 -2.185 1.00 64.23 H new ATOM 0 HA LYS A 39 7.141 -13.541 0.256 1.00 1.15 H new ATOM 0 HB2 LYS A 39 7.958 -13.401 -2.117 1.00 12.11 H new ATOM 0 HB3 LYS A 39 7.262 -11.798 -2.252 1.00 12.11 H new ATOM 0 HG2 LYS A 39 9.364 -12.292 -0.158 1.00 1.43 H new ATOM 0 HG3 LYS A 39 9.849 -12.161 -1.837 1.00 1.43 H new ATOM 0 HD2 LYS A 39 8.542 -9.918 -1.893 1.00 43.53 H new ATOM 0 HD3 LYS A 39 8.439 -10.044 -0.148 1.00 43.53 H new ATOM 0 HE2 LYS A 39 10.314 -8.621 -0.633 1.00 54.14 H new ATOM 0 HE3 LYS A 39 10.970 -10.142 -0.061 1.00 54.14 H new ATOM 0 HZ1 LYS A 39 12.043 -9.160 -2.088 1.00 30.21 H new ATOM 0 HZ2 LYS A 39 11.560 -10.782 -2.233 1.00 30.21 H new ATOM 0 HZ3 LYS A 39 10.633 -9.553 -2.949 1.00 30.21 H new ATOM 644 N VAL A 40 5.132 -10.993 0.013 1.00 52.21 N ATOM 645 CA VAL A 40 4.534 -9.863 0.760 1.00 34.32 C ATOM 646 C VAL A 40 4.215 -10.270 2.212 1.00 1.22 C ATOM 647 O VAL A 40 4.635 -9.603 3.161 1.00 1.02 O ATOM 648 CB VAL A 40 3.195 -9.351 0.103 1.00 3.11 C ATOM 649 CG1 VAL A 40 2.622 -8.171 0.909 1.00 54.34 C ATOM 650 CG2 VAL A 40 3.373 -8.961 -1.379 1.00 64.32 C ATOM 0 H VAL A 40 4.624 -11.228 -0.840 1.00 52.21 H new ATOM 0 HA VAL A 40 5.275 -9.064 0.736 1.00 34.32 H new ATOM 0 HB VAL A 40 2.488 -10.180 0.127 1.00 3.11 H new ATOM 0 HG11 VAL A 40 1.698 -7.828 0.444 1.00 54.34 H new ATOM 0 HG12 VAL A 40 2.417 -8.493 1.930 1.00 54.34 H new ATOM 0 HG13 VAL A 40 3.345 -7.356 0.924 1.00 54.34 H new ATOM 0 HG21 VAL A 40 2.421 -8.616 -1.781 1.00 64.32 H new ATOM 0 HG22 VAL A 40 4.111 -8.163 -1.459 1.00 64.32 H new ATOM 0 HG23 VAL A 40 3.713 -9.828 -1.945 1.00 64.32 H new ATOM 660 N LYS A 41 3.465 -11.387 2.336 1.00 51.54 N ATOM 661 CA LYS A 41 2.962 -11.914 3.617 1.00 4.52 C ATOM 662 C LYS A 41 4.124 -12.216 4.586 1.00 60.14 C ATOM 663 O LYS A 41 4.017 -11.995 5.797 1.00 65.51 O ATOM 664 CB LYS A 41 2.120 -13.191 3.344 1.00 1.35 C ATOM 665 CG LYS A 41 1.490 -13.825 4.599 1.00 64.12 C ATOM 666 CD LYS A 41 0.705 -15.119 4.283 1.00 70.53 C ATOM 667 CE LYS A 41 0.072 -15.749 5.533 1.00 44.33 C ATOM 668 NZ LYS A 41 -0.681 -16.996 5.213 1.00 13.14 N ATOM 0 H LYS A 41 3.190 -11.954 1.534 1.00 51.54 H new ATOM 0 HA LYS A 41 2.332 -11.162 4.092 1.00 4.52 H new ATOM 0 HB2 LYS A 41 1.325 -12.943 2.641 1.00 1.35 H new ATOM 0 HB3 LYS A 41 2.755 -13.932 2.859 1.00 1.35 H new ATOM 0 HG2 LYS A 41 2.275 -14.048 5.321 1.00 64.12 H new ATOM 0 HG3 LYS A 41 0.821 -13.104 5.068 1.00 64.12 H new ATOM 0 HD2 LYS A 41 -0.077 -14.896 3.558 1.00 70.53 H new ATOM 0 HD3 LYS A 41 1.375 -15.841 3.817 1.00 70.53 H new ATOM 0 HE2 LYS A 41 0.853 -15.974 6.260 1.00 44.33 H new ATOM 0 HE3 LYS A 41 -0.601 -15.030 6.000 1.00 44.33 H new ATOM 0 HZ1 LYS A 41 -1.091 -17.387 6.085 1.00 13.14 H new ATOM 0 HZ2 LYS A 41 -1.443 -16.778 4.539 1.00 13.14 H new ATOM 0 HZ3 LYS A 41 -0.035 -17.693 4.791 1.00 13.14 H new ATOM 682 N GLU A 42 5.235 -12.699 4.008 1.00 44.42 N ATOM 683 CA GLU A 42 6.473 -12.999 4.736 1.00 22.31 C ATOM 684 C GLU A 42 7.115 -11.694 5.244 1.00 71.32 C ATOM 685 O GLU A 42 7.481 -11.592 6.419 1.00 51.13 O ATOM 686 CB GLU A 42 7.435 -13.792 3.802 1.00 43.31 C ATOM 687 CG GLU A 42 6.810 -15.084 3.224 1.00 41.12 C ATOM 688 CD GLU A 42 7.741 -15.842 2.266 1.00 13.40 C ATOM 689 OE1 GLU A 42 8.655 -16.553 2.743 1.00 51.21 O ATOM 690 OE2 GLU A 42 7.561 -15.745 1.034 1.00 42.02 O ATOM 0 H GLU A 42 5.297 -12.894 3.009 1.00 44.42 H new ATOM 0 HA GLU A 42 6.256 -13.616 5.608 1.00 22.31 H new ATOM 0 HB2 GLU A 42 7.743 -13.147 2.979 1.00 43.31 H new ATOM 0 HB3 GLU A 42 8.336 -14.051 4.358 1.00 43.31 H new ATOM 0 HG2 GLU A 42 6.534 -15.744 4.047 1.00 41.12 H new ATOM 0 HG3 GLU A 42 5.890 -14.829 2.698 1.00 41.12 H new ATOM 697 N GLU A 43 7.179 -10.677 4.354 1.00 63.14 N ATOM 698 CA GLU A 43 7.793 -9.368 4.658 1.00 25.44 C ATOM 699 C GLU A 43 7.012 -8.577 5.713 1.00 2.11 C ATOM 700 O GLU A 43 7.580 -7.688 6.337 1.00 45.34 O ATOM 701 CB GLU A 43 7.956 -8.500 3.393 1.00 50.14 C ATOM 702 CG GLU A 43 8.837 -9.093 2.299 1.00 70.33 C ATOM 703 CD GLU A 43 10.224 -9.559 2.768 1.00 12.21 C ATOM 704 OE1 GLU A 43 10.986 -8.741 3.327 1.00 41.22 O ATOM 705 OE2 GLU A 43 10.571 -10.742 2.558 1.00 53.23 O ATOM 0 H GLU A 43 6.806 -10.743 3.407 1.00 63.14 H new ATOM 0 HA GLU A 43 8.778 -9.600 5.063 1.00 25.44 H new ATOM 0 HB2 GLU A 43 6.968 -8.308 2.975 1.00 50.14 H new ATOM 0 HB3 GLU A 43 8.371 -7.536 3.686 1.00 50.14 H new ATOM 0 HG2 GLU A 43 8.317 -9.940 1.853 1.00 70.33 H new ATOM 0 HG3 GLU A 43 8.966 -8.349 1.513 1.00 70.33 H new ATOM 712 N ILE A 44 5.702 -8.861 5.858 1.00 72.34 N ATOM 713 CA ILE A 44 4.867 -8.265 6.920 1.00 53.23 C ATOM 714 C ILE A 44 5.459 -8.602 8.310 1.00 22.23 C ATOM 715 O ILE A 44 5.644 -7.710 9.147 1.00 11.21 O ATOM 716 CB ILE A 44 3.367 -8.745 6.806 1.00 55.32 C ATOM 717 CG1 ILE A 44 2.726 -8.211 5.481 1.00 24.22 C ATOM 718 CG2 ILE A 44 2.529 -8.324 8.043 1.00 31.44 C ATOM 719 CD1 ILE A 44 1.290 -8.646 5.245 1.00 31.33 C ATOM 0 H ILE A 44 5.197 -9.504 5.248 1.00 72.34 H new ATOM 0 HA ILE A 44 4.869 -7.182 6.795 1.00 53.23 H new ATOM 0 HB ILE A 44 3.366 -9.835 6.779 1.00 55.32 H new ATOM 0 HG12 ILE A 44 2.764 -7.122 5.490 1.00 24.22 H new ATOM 0 HG13 ILE A 44 3.334 -8.544 4.640 1.00 24.22 H new ATOM 0 HG21 ILE A 44 1.504 -8.674 7.924 1.00 31.44 H new ATOM 0 HG22 ILE A 44 2.961 -8.764 8.942 1.00 31.44 H new ATOM 0 HG23 ILE A 44 2.534 -7.238 8.133 1.00 31.44 H new ATOM 0 HD11 ILE A 44 0.933 -8.227 4.304 1.00 31.33 H new ATOM 0 HD12 ILE A 44 1.242 -9.734 5.199 1.00 31.33 H new ATOM 0 HD13 ILE A 44 0.663 -8.289 6.062 1.00 31.33 H new ATOM 731 N GLU A 45 5.806 -9.894 8.505 1.00 42.21 N ATOM 732 CA GLU A 45 6.417 -10.394 9.756 1.00 5.21 C ATOM 733 C GLU A 45 7.858 -9.852 9.922 1.00 33.41 C ATOM 734 O GLU A 45 8.309 -9.572 11.035 1.00 5.32 O ATOM 735 CB GLU A 45 6.422 -11.945 9.776 1.00 0.03 C ATOM 736 CG GLU A 45 6.966 -12.550 11.088 1.00 74.15 C ATOM 737 CD GLU A 45 7.164 -14.069 11.028 1.00 45.02 C ATOM 738 OE1 GLU A 45 6.212 -14.827 11.326 1.00 31.22 O ATOM 739 OE2 GLU A 45 8.279 -14.513 10.677 1.00 72.43 O ATOM 0 H GLU A 45 5.670 -10.618 7.800 1.00 42.21 H new ATOM 0 HA GLU A 45 5.817 -10.035 10.592 1.00 5.21 H new ATOM 0 HB2 GLU A 45 5.406 -12.304 9.615 1.00 0.03 H new ATOM 0 HB3 GLU A 45 7.024 -12.308 8.943 1.00 0.03 H new ATOM 0 HG2 GLU A 45 7.918 -12.077 11.329 1.00 74.15 H new ATOM 0 HG3 GLU A 45 6.278 -12.313 11.900 1.00 74.15 H new ATOM 746 N LYS A 46 8.559 -9.703 8.795 1.00 33.22 N ATOM 747 CA LYS A 46 9.956 -9.229 8.756 1.00 34.25 C ATOM 748 C LYS A 46 10.053 -7.713 9.021 1.00 43.11 C ATOM 749 O LYS A 46 11.047 -7.240 9.579 1.00 55.15 O ATOM 750 CB LYS A 46 10.584 -9.624 7.408 1.00 15.21 C ATOM 751 CG LYS A 46 10.595 -11.156 7.180 1.00 51.55 C ATOM 752 CD LYS A 46 11.094 -11.554 5.782 1.00 22.22 C ATOM 753 CE LYS A 46 12.534 -11.100 5.502 1.00 1.32 C ATOM 754 NZ LYS A 46 12.943 -11.418 4.112 1.00 2.31 N ATOM 0 H LYS A 46 8.175 -9.908 7.873 1.00 33.22 H new ATOM 0 HA LYS A 46 10.518 -9.708 9.557 1.00 34.25 H new ATOM 0 HB2 LYS A 46 10.031 -9.144 6.600 1.00 15.21 H new ATOM 0 HB3 LYS A 46 11.606 -9.247 7.363 1.00 15.21 H new ATOM 0 HG2 LYS A 46 11.229 -11.625 7.933 1.00 51.55 H new ATOM 0 HG3 LYS A 46 9.587 -11.546 7.324 1.00 51.55 H new ATOM 0 HD2 LYS A 46 11.034 -12.637 5.677 1.00 22.22 H new ATOM 0 HD3 LYS A 46 10.432 -11.124 5.031 1.00 22.22 H new ATOM 0 HE2 LYS A 46 12.617 -10.026 5.670 1.00 1.32 H new ATOM 0 HE3 LYS A 46 13.213 -11.586 6.203 1.00 1.32 H new ATOM 0 HZ1 LYS A 46 13.774 -10.848 3.856 1.00 2.31 H new ATOM 0 HZ2 LYS A 46 13.181 -12.428 4.043 1.00 2.31 H new ATOM 0 HZ3 LYS A 46 12.161 -11.201 3.462 1.00 2.31 H new ATOM 768 N ALA A 47 9.014 -6.964 8.614 1.00 3.34 N ATOM 769 CA ALA A 47 8.893 -5.521 8.899 1.00 22.00 C ATOM 770 C ALA A 47 8.619 -5.316 10.396 1.00 24.41 C ATOM 771 O ALA A 47 9.098 -4.359 10.998 1.00 65.45 O ATOM 772 CB ALA A 47 7.787 -4.895 8.035 1.00 73.14 C ATOM 0 H ALA A 47 8.233 -7.341 8.077 1.00 3.34 H new ATOM 0 HA ALA A 47 9.828 -5.020 8.647 1.00 22.00 H new ATOM 0 HB1 ALA A 47 7.710 -3.831 8.257 1.00 73.14 H new ATOM 0 HB2 ALA A 47 8.029 -5.029 6.981 1.00 73.14 H new ATOM 0 HB3 ALA A 47 6.836 -5.381 8.254 1.00 73.14 H new ATOM 778 N ARG A 48 7.845 -6.253 10.976 1.00 64.52 N ATOM 779 CA ARG A 48 7.609 -6.337 12.432 1.00 0.01 C ATOM 780 C ARG A 48 8.920 -6.607 13.185 1.00 32.44 C ATOM 781 O ARG A 48 9.173 -6.018 14.244 1.00 44.12 O ATOM 782 CB ARG A 48 6.598 -7.474 12.722 1.00 2.02 C ATOM 783 CG ARG A 48 5.163 -7.177 12.278 1.00 73.41 C ATOM 784 CD ARG A 48 4.295 -8.446 12.147 1.00 30.35 C ATOM 785 NE ARG A 48 4.400 -9.363 13.295 1.00 41.04 N ATOM 786 CZ ARG A 48 3.824 -9.193 14.495 1.00 72.23 C ATOM 787 NH1 ARG A 48 3.070 -8.126 14.756 1.00 64.35 N ATOM 788 NH2 ARG A 48 3.994 -10.116 15.425 1.00 55.10 N ATOM 0 H ARG A 48 7.362 -6.978 10.445 1.00 64.52 H new ATOM 0 HA ARG A 48 7.206 -5.384 12.776 1.00 0.01 H new ATOM 0 HB2 ARG A 48 6.939 -8.382 12.223 1.00 2.02 H new ATOM 0 HB3 ARG A 48 6.598 -7.679 13.793 1.00 2.02 H new ATOM 0 HG2 ARG A 48 4.700 -6.500 12.996 1.00 73.41 H new ATOM 0 HG3 ARG A 48 5.186 -6.659 11.319 1.00 73.41 H new ATOM 0 HD2 ARG A 48 3.253 -8.150 12.025 1.00 30.35 H new ATOM 0 HD3 ARG A 48 4.583 -8.979 11.241 1.00 30.35 H new ATOM 0 HE ARG A 48 4.962 -10.204 13.166 1.00 41.04 H new ATOM 0 HH11 ARG A 48 2.921 -7.418 14.037 1.00 64.35 H new ATOM 0 HH12 ARG A 48 2.642 -8.017 15.675 1.00 64.35 H new ATOM 0 HH21 ARG A 48 4.557 -10.943 15.226 1.00 55.10 H new ATOM 0 HH22 ARG A 48 3.563 -10.001 16.342 1.00 55.10 H new ATOM 802 N LYS A 49 9.745 -7.499 12.607 1.00 52.52 N ATOM 803 CA LYS A 49 11.027 -7.926 13.190 1.00 21.13 C ATOM 804 C LYS A 49 12.019 -6.736 13.191 1.00 11.03 C ATOM 805 O LYS A 49 12.779 -6.546 14.146 1.00 71.14 O ATOM 806 CB LYS A 49 11.576 -9.167 12.396 1.00 61.34 C ATOM 807 CG LYS A 49 12.563 -10.089 13.174 1.00 33.10 C ATOM 808 CD LYS A 49 13.955 -9.458 13.411 1.00 54.33 C ATOM 809 CE LYS A 49 14.870 -10.321 14.295 1.00 53.33 C ATOM 810 NZ LYS A 49 16.114 -9.596 14.664 1.00 61.30 N ATOM 0 H LYS A 49 9.537 -7.947 11.714 1.00 52.52 H new ATOM 0 HA LYS A 49 10.891 -8.235 14.226 1.00 21.13 H new ATOM 0 HB2 LYS A 49 10.728 -9.769 12.069 1.00 61.34 H new ATOM 0 HB3 LYS A 49 12.077 -8.807 11.498 1.00 61.34 H new ATOM 0 HG2 LYS A 49 12.122 -10.345 14.137 1.00 33.10 H new ATOM 0 HG3 LYS A 49 12.686 -11.021 12.622 1.00 33.10 H new ATOM 0 HD2 LYS A 49 14.440 -9.293 12.449 1.00 54.33 H new ATOM 0 HD3 LYS A 49 13.829 -8.480 13.876 1.00 54.33 H new ATOM 0 HE2 LYS A 49 14.335 -10.611 15.199 1.00 53.33 H new ATOM 0 HE3 LYS A 49 15.126 -11.240 13.767 1.00 53.33 H new ATOM 0 HZ1 LYS A 49 16.708 -10.207 15.260 1.00 61.30 H new ATOM 0 HZ2 LYS A 49 16.636 -9.341 13.801 1.00 61.30 H new ATOM 0 HZ3 LYS A 49 15.870 -8.732 15.189 1.00 61.30 H new ATOM 824 N GLN A 50 11.985 -5.924 12.123 1.00 71.32 N ATOM 825 CA GLN A 50 12.839 -4.722 11.999 1.00 43.21 C ATOM 826 C GLN A 50 12.185 -3.490 12.648 1.00 65.23 C ATOM 827 O GLN A 50 12.830 -2.444 12.782 1.00 14.14 O ATOM 828 CB GLN A 50 13.189 -4.462 10.510 1.00 43.23 C ATOM 829 CG GLN A 50 13.974 -5.619 9.856 1.00 71.24 C ATOM 830 CD GLN A 50 15.273 -5.982 10.600 1.00 53.35 C ATOM 831 OE1 GLN A 50 15.940 -5.130 11.193 1.00 50.53 O ATOM 832 NE2 GLN A 50 15.624 -7.255 10.607 1.00 0.24 N ATOM 0 H GLN A 50 11.371 -6.076 11.323 1.00 71.32 H new ATOM 0 HA GLN A 50 13.766 -4.908 12.541 1.00 43.21 H new ATOM 0 HB2 GLN A 50 12.268 -4.296 9.951 1.00 43.23 H new ATOM 0 HB3 GLN A 50 13.776 -3.547 10.437 1.00 43.23 H new ATOM 0 HG2 GLN A 50 13.334 -6.500 9.809 1.00 71.24 H new ATOM 0 HG3 GLN A 50 14.217 -5.347 8.829 1.00 71.24 H new ATOM 0 HE21 GLN A 50 15.058 -7.943 10.110 1.00 0.24 H new ATOM 0 HE22 GLN A 50 16.461 -7.550 11.109 1.00 0.24 H new ATOM 841 N GLY A 51 10.904 -3.634 13.038 1.00 14.20 N ATOM 842 CA GLY A 51 10.168 -2.592 13.748 1.00 54.33 C ATOM 843 C GLY A 51 9.925 -1.342 12.919 1.00 31.10 C ATOM 844 O GLY A 51 9.949 -0.224 13.444 1.00 2.11 O ATOM 0 H GLY A 51 10.358 -4.478 12.866 1.00 14.20 H new ATOM 0 HA2 GLY A 51 9.208 -2.994 14.072 1.00 54.33 H new ATOM 0 HA3 GLY A 51 10.719 -2.319 14.648 1.00 54.33 H new ATOM 848 N ARG A 52 9.696 -1.534 11.612 1.00 73.01 N ATOM 849 CA ARG A 52 9.499 -0.443 10.643 1.00 25.32 C ATOM 850 C ARG A 52 8.332 -0.771 9.689 1.00 22.24 C ATOM 851 O ARG A 52 7.954 -1.941 9.553 1.00 65.32 O ATOM 852 CB ARG A 52 10.808 -0.198 9.834 1.00 74.23 C ATOM 853 CG ARG A 52 11.975 0.339 10.683 1.00 31.11 C ATOM 854 CD ARG A 52 13.159 0.796 9.836 1.00 2.05 C ATOM 855 NE ARG A 52 13.745 -0.288 9.025 1.00 43.01 N ATOM 856 CZ ARG A 52 14.893 -0.920 9.303 1.00 72.20 C ATOM 857 NH1 ARG A 52 15.608 -0.603 10.382 1.00 64.52 N ATOM 858 NH2 ARG A 52 15.319 -1.875 8.496 1.00 12.42 N ATOM 0 H ARG A 52 9.641 -2.462 11.192 1.00 73.01 H new ATOM 0 HA ARG A 52 9.251 0.466 11.191 1.00 25.32 H new ATOM 0 HB2 ARG A 52 11.113 -1.133 9.364 1.00 74.23 H new ATOM 0 HB3 ARG A 52 10.600 0.509 9.031 1.00 74.23 H new ATOM 0 HG2 ARG A 52 11.624 1.174 11.289 1.00 31.11 H new ATOM 0 HG3 ARG A 52 12.305 -0.438 11.372 1.00 31.11 H new ATOM 0 HD2 ARG A 52 12.836 1.601 9.176 1.00 2.05 H new ATOM 0 HD3 ARG A 52 13.928 1.208 10.490 1.00 2.05 H new ATOM 0 HE ARG A 52 13.238 -0.578 8.189 1.00 43.01 H new ATOM 0 HH11 ARG A 52 15.283 0.131 11.011 1.00 64.52 H new ATOM 0 HH12 ARG A 52 16.480 -1.095 10.579 1.00 64.52 H new ATOM 0 HH21 ARG A 52 14.775 -2.125 7.670 1.00 12.42 H new ATOM 0 HH22 ARG A 52 16.192 -2.362 8.699 1.00 12.42 H new ATOM 872 N PRO A 53 7.718 0.267 9.037 1.00 32.04 N ATOM 873 CA PRO A 53 6.701 0.057 7.986 1.00 24.44 C ATOM 874 C PRO A 53 7.275 -0.517 6.671 1.00 51.40 C ATOM 875 O PRO A 53 8.495 -0.675 6.508 1.00 52.32 O ATOM 876 CB PRO A 53 6.100 1.470 7.779 1.00 64.24 C ATOM 877 CG PRO A 53 7.183 2.408 8.193 1.00 43.53 C ATOM 878 CD PRO A 53 7.923 1.719 9.317 1.00 2.40 C ATOM 0 HA PRO A 53 5.966 -0.690 8.285 1.00 24.44 H new ATOM 0 HB2 PRO A 53 5.814 1.630 6.739 1.00 64.24 H new ATOM 0 HB3 PRO A 53 5.203 1.611 8.382 1.00 64.24 H new ATOM 0 HG2 PRO A 53 7.852 2.624 7.360 1.00 43.53 H new ATOM 0 HG3 PRO A 53 6.769 3.360 8.524 1.00 43.53 H new ATOM 0 HD2 PRO A 53 8.981 1.981 9.320 1.00 2.40 H new ATOM 0 HD3 PRO A 53 7.523 1.999 10.291 1.00 2.40 H new ATOM 886 N ILE A 54 6.360 -0.801 5.732 1.00 73.24 N ATOM 887 CA ILE A 54 6.671 -1.439 4.446 1.00 22.24 C ATOM 888 C ILE A 54 5.638 -0.996 3.389 1.00 4.42 C ATOM 889 O ILE A 54 4.434 -1.064 3.631 1.00 53.00 O ATOM 890 CB ILE A 54 6.684 -3.011 4.588 1.00 42.03 C ATOM 891 CG1 ILE A 54 6.916 -3.702 3.209 1.00 64.23 C ATOM 892 CG2 ILE A 54 5.398 -3.536 5.283 1.00 22.42 C ATOM 893 CD1 ILE A 54 6.852 -5.214 3.243 1.00 1.21 C ATOM 0 H ILE A 54 5.369 -0.590 5.847 1.00 73.24 H new ATOM 0 HA ILE A 54 7.665 -1.126 4.127 1.00 22.24 H new ATOM 0 HB ILE A 54 7.524 -3.274 5.231 1.00 42.03 H new ATOM 0 HG12 ILE A 54 6.170 -3.336 2.504 1.00 64.23 H new ATOM 0 HG13 ILE A 54 7.891 -3.401 2.826 1.00 64.23 H new ATOM 0 HG21 ILE A 54 5.445 -4.622 5.362 1.00 22.42 H new ATOM 0 HG22 ILE A 54 5.320 -3.103 6.280 1.00 22.42 H new ATOM 0 HG23 ILE A 54 4.525 -3.252 4.695 1.00 22.42 H new ATOM 0 HD11 ILE A 54 7.025 -5.608 2.241 1.00 1.21 H new ATOM 0 HD12 ILE A 54 7.617 -5.595 3.920 1.00 1.21 H new ATOM 0 HD13 ILE A 54 5.869 -5.529 3.592 1.00 1.21 H new ATOM 905 N VAL A 55 6.111 -0.513 2.232 1.00 71.21 N ATOM 906 CA VAL A 55 5.246 -0.141 1.099 1.00 72.32 C ATOM 907 C VAL A 55 5.231 -1.273 0.052 1.00 12.32 C ATOM 908 O VAL A 55 6.208 -1.500 -0.660 1.00 13.52 O ATOM 909 CB VAL A 55 5.706 1.206 0.438 1.00 45.20 C ATOM 910 CG1 VAL A 55 4.832 1.563 -0.784 1.00 4.42 C ATOM 911 CG2 VAL A 55 5.692 2.353 1.469 1.00 53.44 C ATOM 0 H VAL A 55 7.105 -0.368 2.053 1.00 71.21 H new ATOM 0 HA VAL A 55 4.237 0.008 1.483 1.00 72.32 H new ATOM 0 HB VAL A 55 6.729 1.069 0.087 1.00 45.20 H new ATOM 0 HG11 VAL A 55 5.178 2.501 -1.217 1.00 4.42 H new ATOM 0 HG12 VAL A 55 4.906 0.770 -1.528 1.00 4.42 H new ATOM 0 HG13 VAL A 55 3.794 1.670 -0.470 1.00 4.42 H new ATOM 0 HG21 VAL A 55 6.014 3.277 0.989 1.00 53.44 H new ATOM 0 HG22 VAL A 55 4.682 2.480 1.859 1.00 53.44 H new ATOM 0 HG23 VAL A 55 6.370 2.114 2.288 1.00 53.44 H new ATOM 921 N VAL A 56 4.111 -1.991 -0.003 1.00 73.25 N ATOM 922 CA VAL A 56 3.842 -3.030 -0.993 1.00 64.41 C ATOM 923 C VAL A 56 3.006 -2.454 -2.140 1.00 60.42 C ATOM 924 O VAL A 56 1.956 -1.875 -1.897 1.00 25.41 O ATOM 925 CB VAL A 56 3.053 -4.211 -0.345 1.00 62.32 C ATOM 926 CG1 VAL A 56 2.770 -5.333 -1.373 1.00 43.12 C ATOM 927 CG2 VAL A 56 3.799 -4.743 0.901 1.00 21.21 C ATOM 0 H VAL A 56 3.345 -1.862 0.658 1.00 73.25 H new ATOM 0 HA VAL A 56 4.797 -3.395 -1.372 1.00 64.41 H new ATOM 0 HB VAL A 56 2.084 -3.835 -0.016 1.00 62.32 H new ATOM 0 HG11 VAL A 56 2.219 -6.140 -0.889 1.00 43.12 H new ATOM 0 HG12 VAL A 56 2.178 -4.932 -2.196 1.00 43.12 H new ATOM 0 HG13 VAL A 56 3.713 -5.719 -1.760 1.00 43.12 H new ATOM 0 HG21 VAL A 56 3.234 -5.566 1.339 1.00 21.21 H new ATOM 0 HG22 VAL A 56 4.788 -5.096 0.610 1.00 21.21 H new ATOM 0 HG23 VAL A 56 3.901 -3.942 1.633 1.00 21.21 H new ATOM 937 N PHE A 57 3.469 -2.622 -3.372 1.00 60.12 N ATOM 938 CA PHE A 57 2.738 -2.223 -4.571 1.00 23.43 C ATOM 939 C PHE A 57 1.890 -3.401 -5.067 1.00 63.43 C ATOM 940 O PHE A 57 2.429 -4.443 -5.446 1.00 4.24 O ATOM 941 CB PHE A 57 3.738 -1.738 -5.645 1.00 35.01 C ATOM 942 CG PHE A 57 4.580 -0.570 -5.146 1.00 34.22 C ATOM 943 CD1 PHE A 57 4.034 0.708 -5.062 1.00 51.53 C ATOM 944 CD2 PHE A 57 5.896 -0.760 -4.714 1.00 71.30 C ATOM 945 CE1 PHE A 57 4.771 1.758 -4.564 1.00 3.14 C ATOM 946 CE2 PHE A 57 6.631 0.296 -4.226 1.00 23.24 C ATOM 947 CZ PHE A 57 6.068 1.555 -4.148 1.00 63.33 C ATOM 0 H PHE A 57 4.376 -3.045 -3.571 1.00 60.12 H new ATOM 0 HA PHE A 57 2.063 -1.397 -4.347 1.00 23.43 H new ATOM 0 HB2 PHE A 57 4.392 -2.562 -5.931 1.00 35.01 H new ATOM 0 HB3 PHE A 57 3.193 -1.437 -6.540 1.00 35.01 H new ATOM 0 HD1 PHE A 57 3.020 0.877 -5.392 1.00 51.53 H new ATOM 0 HD2 PHE A 57 6.339 -1.744 -4.764 1.00 71.30 H new ATOM 0 HE1 PHE A 57 4.332 2.742 -4.499 1.00 3.14 H new ATOM 0 HE2 PHE A 57 7.650 0.140 -3.903 1.00 23.24 H new ATOM 0 HZ PHE A 57 6.646 2.381 -3.760 1.00 63.33 H new ATOM 957 N VAL A 58 0.563 -3.237 -4.974 1.00 63.23 N ATOM 958 CA VAL A 58 -0.444 -4.171 -5.504 1.00 44.10 C ATOM 959 C VAL A 58 -1.007 -3.585 -6.821 1.00 14.04 C ATOM 960 O VAL A 58 -0.988 -2.369 -7.006 1.00 54.12 O ATOM 961 CB VAL A 58 -1.597 -4.396 -4.448 1.00 73.44 C ATOM 962 CG1 VAL A 58 -2.667 -5.393 -4.954 1.00 51.30 C ATOM 963 CG2 VAL A 58 -1.010 -4.859 -3.090 1.00 25.15 C ATOM 0 H VAL A 58 0.147 -2.427 -4.514 1.00 63.23 H new ATOM 0 HA VAL A 58 0.012 -5.141 -5.702 1.00 44.10 H new ATOM 0 HB VAL A 58 -2.096 -3.438 -4.305 1.00 73.44 H new ATOM 0 HG11 VAL A 58 -3.439 -5.515 -4.194 1.00 51.30 H new ATOM 0 HG12 VAL A 58 -3.117 -5.010 -5.870 1.00 51.30 H new ATOM 0 HG13 VAL A 58 -2.200 -6.357 -5.155 1.00 51.30 H new ATOM 0 HG21 VAL A 58 -1.820 -5.009 -2.376 1.00 25.15 H new ATOM 0 HG22 VAL A 58 -0.470 -5.796 -3.228 1.00 25.15 H new ATOM 0 HG23 VAL A 58 -0.327 -4.099 -2.711 1.00 25.15 H new ATOM 973 N ARG A 59 -1.445 -4.444 -7.762 1.00 0.22 N ATOM 974 CA ARG A 59 -2.024 -3.985 -9.039 1.00 62.13 C ATOM 975 C ARG A 59 -3.518 -3.628 -8.850 1.00 1.22 C ATOM 976 O ARG A 59 -4.207 -4.228 -8.006 1.00 22.13 O ATOM 977 CB ARG A 59 -1.850 -5.072 -10.139 1.00 41.45 C ATOM 978 CG ARG A 59 -2.340 -4.640 -11.542 1.00 71.12 C ATOM 979 CD ARG A 59 -2.158 -5.724 -12.621 1.00 32.35 C ATOM 980 NE ARG A 59 -2.888 -6.962 -12.308 1.00 22.12 N ATOM 981 CZ ARG A 59 -3.080 -7.995 -13.151 1.00 64.12 C ATOM 982 NH1 ARG A 59 -2.616 -7.975 -14.403 1.00 2.53 N ATOM 983 NH2 ARG A 59 -3.734 -9.059 -12.721 1.00 70.41 N ATOM 0 H ARG A 59 -1.409 -5.458 -7.662 1.00 0.22 H new ATOM 0 HA ARG A 59 -1.494 -3.089 -9.362 1.00 62.13 H new ATOM 0 HB2 ARG A 59 -0.796 -5.343 -10.202 1.00 41.45 H new ATOM 0 HB3 ARG A 59 -2.392 -5.968 -9.837 1.00 41.45 H new ATOM 0 HG2 ARG A 59 -3.395 -4.372 -11.482 1.00 71.12 H new ATOM 0 HG3 ARG A 59 -1.800 -3.743 -11.846 1.00 71.12 H new ATOM 0 HD2 ARG A 59 -2.501 -5.337 -13.581 1.00 32.35 H new ATOM 0 HD3 ARG A 59 -1.097 -5.950 -12.729 1.00 32.35 H new ATOM 0 HE ARG A 59 -3.283 -7.046 -11.371 1.00 22.12 H new ATOM 0 HH11 ARG A 59 -2.101 -7.163 -14.743 1.00 2.53 H new ATOM 0 HH12 ARG A 59 -2.776 -8.772 -15.019 1.00 2.53 H new ATOM 0 HH21 ARG A 59 -4.085 -9.090 -11.764 1.00 70.41 H new ATOM 0 HH22 ARG A 59 -3.888 -9.850 -13.346 1.00 70.41 H new ATOM 997 N GLY A 60 -3.991 -2.645 -9.643 1.00 33.13 N ATOM 998 CA GLY A 60 -5.391 -2.240 -9.676 1.00 51.45 C ATOM 999 C GLY A 60 -6.228 -3.300 -10.380 1.00 41.04 C ATOM 1000 O GLY A 60 -6.411 -3.258 -11.602 1.00 4.10 O ATOM 0 H GLY A 60 -3.398 -2.112 -10.280 1.00 33.13 H new ATOM 0 HA2 GLY A 60 -5.758 -2.091 -8.661 1.00 51.45 H new ATOM 0 HA3 GLY A 60 -5.489 -1.286 -10.193 1.00 51.45 H new ATOM 1004 N GLY A 61 -6.683 -4.276 -9.594 1.00 23.32 N ATOM 1005 CA GLY A 61 -7.404 -5.446 -10.096 1.00 11.52 C ATOM 1006 C GLY A 61 -7.136 -6.668 -9.226 1.00 51.24 C ATOM 1007 O GLY A 61 -7.917 -7.619 -9.228 1.00 24.24 O ATOM 0 H GLY A 61 -6.560 -4.277 -8.581 1.00 23.32 H new ATOM 0 HA2 GLY A 61 -8.474 -5.237 -10.116 1.00 11.52 H new ATOM 0 HA3 GLY A 61 -7.100 -5.652 -11.122 1.00 11.52 H new ATOM 1011 N ASP A 62 -6.015 -6.634 -8.482 1.00 61.13 N ATOM 1012 CA ASP A 62 -5.683 -7.637 -7.443 1.00 41.43 C ATOM 1013 C ASP A 62 -6.272 -7.197 -6.091 1.00 25.22 C ATOM 1014 O ASP A 62 -5.606 -7.264 -5.047 1.00 24.45 O ATOM 1015 CB ASP A 62 -4.137 -7.812 -7.357 1.00 23.34 C ATOM 1016 CG ASP A 62 -3.549 -8.596 -8.532 1.00 64.44 C ATOM 1017 OD1 ASP A 62 -3.541 -8.067 -9.663 1.00 24.43 O ATOM 1018 OD2 ASP A 62 -3.093 -9.745 -8.335 1.00 44.04 O ATOM 0 H ASP A 62 -5.307 -5.907 -8.583 1.00 61.13 H new ATOM 0 HA ASP A 62 -6.120 -8.600 -7.706 1.00 41.43 H new ATOM 0 HB2 ASP A 62 -3.669 -6.828 -7.315 1.00 23.34 H new ATOM 0 HB3 ASP A 62 -3.888 -8.323 -6.427 1.00 23.34 H new ATOM 1023 N ASP A 63 -7.552 -6.795 -6.126 1.00 33.45 N ATOM 1024 CA ASP A 63 -8.299 -6.298 -4.953 1.00 11.20 C ATOM 1025 C ASP A 63 -8.532 -7.444 -3.944 1.00 25.40 C ATOM 1026 O ASP A 63 -8.624 -7.207 -2.732 1.00 14.30 O ATOM 1027 CB ASP A 63 -9.640 -5.685 -5.422 1.00 23.02 C ATOM 1028 CG ASP A 63 -10.431 -5.002 -4.292 1.00 20.40 C ATOM 1029 OD1 ASP A 63 -10.117 -3.834 -3.952 1.00 53.04 O ATOM 1030 OD2 ASP A 63 -11.364 -5.624 -3.726 1.00 11.30 O ATOM 0 H ASP A 63 -8.108 -6.805 -6.981 1.00 33.45 H new ATOM 0 HA ASP A 63 -7.719 -5.525 -4.450 1.00 11.20 H new ATOM 0 HB2 ASP A 63 -9.442 -4.956 -6.208 1.00 23.02 H new ATOM 0 HB3 ASP A 63 -10.255 -6.470 -5.862 1.00 23.02 H new ATOM 1035 N GLU A 64 -8.621 -8.680 -4.492 1.00 51.24 N ATOM 1036 CA GLU A 64 -8.659 -9.940 -3.732 1.00 22.24 C ATOM 1037 C GLU A 64 -7.444 -10.033 -2.791 1.00 45.23 C ATOM 1038 O GLU A 64 -7.591 -10.187 -1.579 1.00 43.02 O ATOM 1039 CB GLU A 64 -8.643 -11.137 -4.727 1.00 73.50 C ATOM 1040 CG GLU A 64 -8.678 -12.536 -4.080 1.00 55.30 C ATOM 1041 CD GLU A 64 -8.368 -13.664 -5.080 1.00 2.25 C ATOM 1042 OE1 GLU A 64 -9.269 -14.063 -5.846 1.00 54.31 O ATOM 1043 OE2 GLU A 64 -7.219 -14.138 -5.123 1.00 32.23 O ATOM 0 H GLU A 64 -8.669 -8.825 -5.500 1.00 51.24 H new ATOM 0 HA GLU A 64 -9.569 -9.969 -3.132 1.00 22.24 H new ATOM 0 HB2 GLU A 64 -9.499 -11.043 -5.396 1.00 73.50 H new ATOM 0 HB3 GLU A 64 -7.747 -11.063 -5.344 1.00 73.50 H new ATOM 0 HG2 GLU A 64 -7.956 -12.572 -3.264 1.00 55.30 H new ATOM 0 HG3 GLU A 64 -9.662 -12.705 -3.643 1.00 55.30 H new ATOM 1050 N ARG A 65 -6.241 -9.884 -3.380 1.00 1.12 N ATOM 1051 CA ARG A 65 -4.963 -9.974 -2.644 1.00 0.12 C ATOM 1052 C ARG A 65 -4.805 -8.781 -1.697 1.00 2.03 C ATOM 1053 O ARG A 65 -4.233 -8.919 -0.622 1.00 23.54 O ATOM 1054 CB ARG A 65 -3.744 -10.051 -3.611 1.00 13.13 C ATOM 1055 CG ARG A 65 -3.623 -11.382 -4.391 1.00 73.32 C ATOM 1056 CD ARG A 65 -4.646 -11.544 -5.533 1.00 64.31 C ATOM 1057 NE ARG A 65 -4.706 -12.932 -6.028 1.00 73.24 N ATOM 1058 CZ ARG A 65 -4.339 -13.349 -7.243 1.00 71.41 C ATOM 1059 NH1 ARG A 65 -3.860 -12.507 -8.147 1.00 23.31 N ATOM 1060 NH2 ARG A 65 -4.455 -14.629 -7.547 1.00 61.23 N ATOM 0 H ARG A 65 -6.127 -9.698 -4.376 1.00 1.12 H new ATOM 0 HA ARG A 65 -4.987 -10.895 -2.061 1.00 0.12 H new ATOM 0 HB2 ARG A 65 -3.812 -9.231 -4.326 1.00 13.13 H new ATOM 0 HB3 ARG A 65 -2.831 -9.898 -3.036 1.00 13.13 H new ATOM 0 HG2 ARG A 65 -2.618 -11.456 -4.806 1.00 73.32 H new ATOM 0 HG3 ARG A 65 -3.741 -12.211 -3.693 1.00 73.32 H new ATOM 0 HD2 ARG A 65 -5.632 -11.241 -5.182 1.00 64.31 H new ATOM 0 HD3 ARG A 65 -4.382 -10.877 -6.354 1.00 64.31 H new ATOM 0 HE ARG A 65 -5.060 -13.639 -5.383 1.00 73.24 H new ATOM 0 HH11 ARG A 65 -3.765 -11.517 -7.922 1.00 23.31 H new ATOM 0 HH12 ARG A 65 -3.586 -12.849 -9.068 1.00 23.31 H new ATOM 0 HH21 ARG A 65 -4.821 -15.286 -6.858 1.00 61.23 H new ATOM 0 HH22 ARG A 65 -4.179 -14.961 -8.471 1.00 61.23 H new ATOM 1074 N ALA A 66 -5.336 -7.622 -2.110 1.00 2.24 N ATOM 1075 CA ALA A 66 -5.271 -6.379 -1.328 1.00 33.42 C ATOM 1076 C ALA A 66 -5.945 -6.548 0.042 1.00 62.15 C ATOM 1077 O ALA A 66 -5.362 -6.189 1.060 1.00 43.51 O ATOM 1078 CB ALA A 66 -5.892 -5.221 -2.110 1.00 65.44 C ATOM 0 H ALA A 66 -5.825 -7.520 -2.999 1.00 2.24 H new ATOM 0 HA ALA A 66 -4.222 -6.145 -1.149 1.00 33.42 H new ATOM 0 HB1 ALA A 66 -5.835 -4.309 -1.516 1.00 65.44 H new ATOM 0 HB2 ALA A 66 -5.348 -5.080 -3.044 1.00 65.44 H new ATOM 0 HB3 ALA A 66 -6.936 -5.448 -2.328 1.00 65.44 H new ATOM 1084 N LYS A 67 -7.160 -7.139 0.055 1.00 44.23 N ATOM 1085 CA LYS A 67 -7.904 -7.376 1.310 1.00 42.31 C ATOM 1086 C LYS A 67 -7.298 -8.543 2.120 1.00 14.41 C ATOM 1087 O LYS A 67 -7.427 -8.545 3.340 1.00 52.24 O ATOM 1088 CB LYS A 67 -9.445 -7.571 1.057 1.00 40.31 C ATOM 1089 CG LYS A 67 -9.853 -8.549 -0.095 1.00 1.43 C ATOM 1090 CD LYS A 67 -10.605 -9.836 0.353 1.00 62.42 C ATOM 1091 CE LYS A 67 -9.789 -10.709 1.321 1.00 55.51 C ATOM 1092 NZ LYS A 67 -10.389 -12.042 1.577 1.00 72.05 N ATOM 0 H LYS A 67 -7.643 -7.459 -0.784 1.00 44.23 H new ATOM 0 HA LYS A 67 -7.800 -6.477 1.917 1.00 42.31 H new ATOM 0 HB2 LYS A 67 -9.899 -7.927 1.982 1.00 40.31 H new ATOM 0 HB3 LYS A 67 -9.880 -6.595 0.844 1.00 40.31 H new ATOM 0 HG2 LYS A 67 -10.483 -8.008 -0.801 1.00 1.43 H new ATOM 0 HG3 LYS A 67 -8.952 -8.844 -0.633 1.00 1.43 H new ATOM 0 HD2 LYS A 67 -11.543 -9.553 0.832 1.00 62.42 H new ATOM 0 HD3 LYS A 67 -10.862 -10.424 -0.528 1.00 62.42 H new ATOM 0 HE2 LYS A 67 -8.786 -10.844 0.916 1.00 55.51 H new ATOM 0 HE3 LYS A 67 -9.682 -10.181 2.269 1.00 55.51 H new ATOM 0 HZ1 LYS A 67 -9.644 -12.767 1.560 1.00 72.05 H new ATOM 0 HZ2 LYS A 67 -10.850 -12.042 2.509 1.00 72.05 H new ATOM 0 HZ3 LYS A 67 -11.094 -12.252 0.842 1.00 72.05 H new ATOM 1106 N ASP A 68 -6.660 -9.536 1.442 1.00 44.31 N ATOM 1107 CA ASP A 68 -6.016 -10.698 2.127 1.00 71.42 C ATOM 1108 C ASP A 68 -4.791 -10.246 2.933 1.00 60.23 C ATOM 1109 O ASP A 68 -4.669 -10.535 4.126 1.00 64.24 O ATOM 1110 CB ASP A 68 -5.566 -11.808 1.124 1.00 14.12 C ATOM 1111 CG ASP A 68 -6.717 -12.623 0.514 1.00 24.14 C ATOM 1112 OD1 ASP A 68 -7.556 -13.141 1.279 1.00 44.12 O ATOM 1113 OD2 ASP A 68 -6.762 -12.800 -0.726 1.00 75.43 O ATOM 0 H ASP A 68 -6.577 -9.558 0.426 1.00 44.31 H new ATOM 0 HA ASP A 68 -6.773 -11.115 2.791 1.00 71.42 H new ATOM 0 HB2 ASP A 68 -5.000 -11.342 0.317 1.00 14.12 H new ATOM 0 HB3 ASP A 68 -4.888 -12.490 1.637 1.00 14.12 H new ATOM 1118 N ILE A 69 -3.893 -9.539 2.239 1.00 61.01 N ATOM 1119 CA ILE A 69 -2.632 -9.031 2.791 1.00 14.32 C ATOM 1120 C ILE A 69 -2.910 -7.999 3.901 1.00 62.32 C ATOM 1121 O ILE A 69 -2.253 -8.009 4.946 1.00 25.25 O ATOM 1122 CB ILE A 69 -1.763 -8.394 1.643 1.00 61.54 C ATOM 1123 CG1 ILE A 69 -1.363 -9.481 0.584 1.00 20.53 C ATOM 1124 CG2 ILE A 69 -0.524 -7.677 2.208 1.00 12.15 C ATOM 1125 CD1 ILE A 69 -0.753 -8.937 -0.703 1.00 44.11 C ATOM 0 H ILE A 69 -4.025 -9.299 1.257 1.00 61.01 H new ATOM 0 HA ILE A 69 -2.076 -9.860 3.229 1.00 14.32 H new ATOM 0 HB ILE A 69 -2.369 -7.641 1.140 1.00 61.54 H new ATOM 0 HG12 ILE A 69 -0.652 -10.168 1.043 1.00 20.53 H new ATOM 0 HG13 ILE A 69 -2.250 -10.062 0.330 1.00 20.53 H new ATOM 0 HG21 ILE A 69 0.054 -7.249 1.389 1.00 12.15 H new ATOM 0 HG22 ILE A 69 -0.840 -6.882 2.884 1.00 12.15 H new ATOM 0 HG23 ILE A 69 0.093 -8.392 2.752 1.00 12.15 H new ATOM 0 HD11 ILE A 69 -0.511 -9.765 -1.369 1.00 44.11 H new ATOM 0 HD12 ILE A 69 -1.467 -8.274 -1.192 1.00 44.11 H new ATOM 0 HD13 ILE A 69 0.156 -8.382 -0.469 1.00 44.11 H new ATOM 1137 N ALA A 70 -3.908 -7.132 3.654 1.00 55.01 N ATOM 1138 CA ALA A 70 -4.364 -6.119 4.618 1.00 14.52 C ATOM 1139 C ALA A 70 -4.973 -6.770 5.870 1.00 64.12 C ATOM 1140 O ALA A 70 -4.801 -6.266 6.985 1.00 34.34 O ATOM 1141 CB ALA A 70 -5.376 -5.190 3.947 1.00 13.30 C ATOM 0 H ALA A 70 -4.423 -7.116 2.774 1.00 55.01 H new ATOM 0 HA ALA A 70 -3.501 -5.537 4.941 1.00 14.52 H new ATOM 0 HB1 ALA A 70 -5.712 -4.440 4.663 1.00 13.30 H new ATOM 0 HB2 ALA A 70 -4.907 -4.695 3.097 1.00 13.30 H new ATOM 0 HB3 ALA A 70 -6.231 -5.772 3.602 1.00 13.30 H new ATOM 1147 N GLU A 71 -5.685 -7.895 5.664 1.00 31.12 N ATOM 1148 CA GLU A 71 -6.303 -8.670 6.751 1.00 74.33 C ATOM 1149 C GLU A 71 -5.230 -9.309 7.630 1.00 31.24 C ATOM 1150 O GLU A 71 -5.322 -9.248 8.851 1.00 64.55 O ATOM 1151 CB GLU A 71 -7.244 -9.753 6.180 1.00 33.32 C ATOM 1152 CG GLU A 71 -7.988 -10.587 7.238 1.00 55.55 C ATOM 1153 CD GLU A 71 -8.838 -11.693 6.610 1.00 2.41 C ATOM 1154 OE1 GLU A 71 -10.021 -11.441 6.281 1.00 52.24 O ATOM 1155 OE2 GLU A 71 -8.319 -12.815 6.416 1.00 51.23 O ATOM 0 H GLU A 71 -5.846 -8.290 4.738 1.00 31.12 H new ATOM 0 HA GLU A 71 -6.893 -7.988 7.364 1.00 74.33 H new ATOM 0 HB2 GLU A 71 -7.979 -9.272 5.535 1.00 33.32 H new ATOM 0 HB3 GLU A 71 -6.661 -10.426 5.552 1.00 33.32 H new ATOM 0 HG2 GLU A 71 -7.265 -11.031 7.922 1.00 55.55 H new ATOM 0 HG3 GLU A 71 -8.627 -9.932 7.831 1.00 55.55 H new ATOM 1162 N TYR A 72 -4.204 -9.902 6.990 1.00 62.21 N ATOM 1163 CA TYR A 72 -3.083 -10.539 7.704 1.00 4.34 C ATOM 1164 C TYR A 72 -2.251 -9.476 8.452 1.00 65.41 C ATOM 1165 O TYR A 72 -1.785 -9.723 9.561 1.00 62.24 O ATOM 1166 CB TYR A 72 -2.185 -11.360 6.740 1.00 62.12 C ATOM 1167 CG TYR A 72 -0.969 -12.003 7.436 1.00 1.11 C ATOM 1168 CD1 TYR A 72 -1.109 -13.127 8.261 1.00 74.33 C ATOM 1169 CD2 TYR A 72 0.316 -11.465 7.302 1.00 62.22 C ATOM 1170 CE1 TYR A 72 -0.020 -13.675 8.915 1.00 3.43 C ATOM 1171 CE2 TYR A 72 1.403 -12.015 7.946 1.00 55.21 C ATOM 1172 CZ TYR A 72 1.233 -13.117 8.751 1.00 34.13 C ATOM 1173 OH TYR A 72 2.317 -13.650 9.416 1.00 51.21 O ATOM 0 H TYR A 72 -4.129 -9.953 5.974 1.00 62.21 H new ATOM 0 HA TYR A 72 -3.502 -11.234 8.432 1.00 4.34 H new ATOM 0 HB2 TYR A 72 -2.784 -12.143 6.275 1.00 62.12 H new ATOM 0 HB3 TYR A 72 -1.834 -10.709 5.939 1.00 62.12 H new ATOM 0 HD1 TYR A 72 -2.084 -13.573 8.389 1.00 74.33 H new ATOM 0 HD2 TYR A 72 0.459 -10.596 6.677 1.00 62.22 H new ATOM 0 HE1 TYR A 72 -0.149 -14.537 9.552 1.00 3.43 H new ATOM 0 HE2 TYR A 72 2.384 -11.582 7.819 1.00 55.21 H new ATOM 0 HH TYR A 72 2.505 -13.116 10.216 1.00 51.21 H new ATOM 1183 N ALA A 73 -2.095 -8.303 7.836 1.00 20.55 N ATOM 1184 CA ALA A 73 -1.375 -7.167 8.429 1.00 50.41 C ATOM 1185 C ALA A 73 -2.063 -6.700 9.730 1.00 55.25 C ATOM 1186 O ALA A 73 -1.419 -6.562 10.770 1.00 73.25 O ATOM 1187 CB ALA A 73 -1.298 -6.026 7.413 1.00 11.54 C ATOM 0 H ALA A 73 -2.466 -8.110 6.906 1.00 20.55 H new ATOM 0 HA ALA A 73 -0.364 -7.482 8.686 1.00 50.41 H new ATOM 0 HB1 ALA A 73 -0.764 -5.183 7.852 1.00 11.54 H new ATOM 0 HB2 ALA A 73 -0.769 -6.367 6.523 1.00 11.54 H new ATOM 0 HB3 ALA A 73 -2.306 -5.714 7.139 1.00 11.54 H new ATOM 1193 N GLN A 74 -3.394 -6.505 9.655 1.00 2.12 N ATOM 1194 CA GLN A 74 -4.219 -6.108 10.813 1.00 44.43 C ATOM 1195 C GLN A 74 -4.303 -7.259 11.841 1.00 61.44 C ATOM 1196 O GLN A 74 -4.451 -7.018 13.044 1.00 30.30 O ATOM 1197 CB GLN A 74 -5.626 -5.651 10.342 1.00 71.24 C ATOM 1198 CG GLN A 74 -6.493 -5.017 11.453 1.00 21.51 C ATOM 1199 CD GLN A 74 -7.780 -4.389 10.912 1.00 13.01 C ATOM 1200 OE1 GLN A 74 -7.817 -3.203 10.579 1.00 11.41 O ATOM 1201 NE2 GLN A 74 -8.836 -5.172 10.810 1.00 51.44 N ATOM 0 H GLN A 74 -3.926 -6.618 8.792 1.00 2.12 H new ATOM 0 HA GLN A 74 -3.746 -5.261 11.311 1.00 44.43 H new ATOM 0 HB2 GLN A 74 -5.509 -4.930 9.533 1.00 71.24 H new ATOM 0 HB3 GLN A 74 -6.155 -6.510 9.930 1.00 71.24 H new ATOM 0 HG2 GLN A 74 -6.747 -5.779 12.189 1.00 21.51 H new ATOM 0 HG3 GLN A 74 -5.912 -4.255 11.971 1.00 21.51 H new ATOM 0 HE21 GLN A 74 -8.775 -6.150 11.094 1.00 51.44 H new ATOM 0 HE22 GLN A 74 -9.714 -4.800 10.447 1.00 51.44 H new ATOM 1210 N LYS A 75 -4.189 -8.508 11.342 1.00 11.13 N ATOM 1211 CA LYS A 75 -4.137 -9.735 12.170 1.00 3.42 C ATOM 1212 C LYS A 75 -2.868 -9.746 13.043 1.00 1.33 C ATOM 1213 O LYS A 75 -2.889 -10.229 14.184 1.00 63.41 O ATOM 1214 CB LYS A 75 -4.171 -10.995 11.254 1.00 13.40 C ATOM 1215 CG LYS A 75 -4.223 -12.377 11.967 1.00 60.21 C ATOM 1216 CD LYS A 75 -5.656 -12.932 12.179 1.00 73.55 C ATOM 1217 CE LYS A 75 -6.532 -12.088 13.116 1.00 64.11 C ATOM 1218 NZ LYS A 75 -7.856 -12.724 13.352 1.00 33.44 N ATOM 0 H LYS A 75 -4.130 -8.697 10.341 1.00 11.13 H new ATOM 0 HA LYS A 75 -5.006 -9.749 12.828 1.00 3.42 H new ATOM 0 HB2 LYS A 75 -5.040 -10.917 10.600 1.00 13.40 H new ATOM 0 HB3 LYS A 75 -3.288 -10.975 10.615 1.00 13.40 H new ATOM 0 HG2 LYS A 75 -3.650 -13.096 11.382 1.00 60.21 H new ATOM 0 HG3 LYS A 75 -3.732 -12.291 12.936 1.00 60.21 H new ATOM 0 HD2 LYS A 75 -6.150 -13.008 11.210 1.00 73.55 H new ATOM 0 HD3 LYS A 75 -5.585 -13.943 12.581 1.00 73.55 H new ATOM 0 HE2 LYS A 75 -6.019 -11.951 14.068 1.00 64.11 H new ATOM 0 HE3 LYS A 75 -6.676 -11.097 12.685 1.00 64.11 H new ATOM 0 HZ1 LYS A 75 -8.420 -12.126 13.989 1.00 33.44 H new ATOM 0 HZ2 LYS A 75 -8.356 -12.832 12.446 1.00 33.44 H new ATOM 0 HZ3 LYS A 75 -7.719 -13.659 13.786 1.00 33.44 H new ATOM 1232 N GLU A 76 -1.767 -9.187 12.500 1.00 14.23 N ATOM 1233 CA GLU A 76 -0.497 -9.029 13.235 1.00 11.54 C ATOM 1234 C GLU A 76 -0.567 -7.843 14.226 1.00 0.23 C ATOM 1235 O GLU A 76 0.378 -7.606 14.985 1.00 43.32 O ATOM 1236 CB GLU A 76 0.664 -8.810 12.229 1.00 51.23 C ATOM 1237 CG GLU A 76 0.895 -9.941 11.206 1.00 64.13 C ATOM 1238 CD GLU A 76 1.275 -11.291 11.836 1.00 74.25 C ATOM 1239 OE1 GLU A 76 0.368 -12.091 12.164 1.00 63.31 O ATOM 1240 OE2 GLU A 76 2.487 -11.565 11.999 1.00 2.14 O ATOM 0 H GLU A 76 -1.734 -8.834 11.544 1.00 14.23 H new ATOM 0 HA GLU A 76 -0.318 -9.938 13.809 1.00 11.54 H new ATOM 0 HB2 GLU A 76 0.475 -7.886 11.683 1.00 51.23 H new ATOM 0 HB3 GLU A 76 1.585 -8.664 12.794 1.00 51.23 H new ATOM 0 HG2 GLU A 76 -0.011 -10.071 10.614 1.00 64.13 H new ATOM 0 HG3 GLU A 76 1.685 -9.638 10.518 1.00 64.13 H new ATOM 1247 N GLY A 77 -1.688 -7.098 14.194 1.00 34.24 N ATOM 1248 CA GLY A 77 -1.902 -5.939 15.058 1.00 2.54 C ATOM 1249 C GLY A 77 -1.266 -4.676 14.501 1.00 15.21 C ATOM 1250 O GLY A 77 -1.022 -3.719 15.245 1.00 34.11 O ATOM 0 H GLY A 77 -2.467 -7.289 13.565 1.00 34.24 H new ATOM 0 HA2 GLY A 77 -2.972 -5.777 15.186 1.00 2.54 H new ATOM 0 HA3 GLY A 77 -1.490 -6.145 16.046 1.00 2.54 H new ATOM 1254 N LEU A 78 -0.997 -4.671 13.183 1.00 70.11 N ATOM 1255 CA LEU A 78 -0.324 -3.550 12.505 1.00 10.15 C ATOM 1256 C LEU A 78 -1.359 -2.562 11.969 1.00 2.54 C ATOM 1257 O LEU A 78 -2.527 -2.925 11.748 1.00 42.34 O ATOM 1258 CB LEU A 78 0.557 -4.056 11.326 1.00 5.21 C ATOM 1259 CG LEU A 78 1.507 -5.246 11.638 1.00 3.25 C ATOM 1260 CD1 LEU A 78 2.444 -5.528 10.451 1.00 11.54 C ATOM 1261 CD2 LEU A 78 2.292 -5.037 12.947 1.00 75.35 C ATOM 0 H LEU A 78 -1.239 -5.442 12.560 1.00 70.11 H new ATOM 0 HA LEU A 78 0.316 -3.055 13.235 1.00 10.15 H new ATOM 0 HB2 LEU A 78 -0.101 -4.349 10.508 1.00 5.21 H new ATOM 0 HB3 LEU A 78 1.160 -3.222 10.967 1.00 5.21 H new ATOM 0 HG LEU A 78 0.884 -6.128 11.789 1.00 3.25 H new ATOM 0 HD11 LEU A 78 3.098 -6.365 10.695 1.00 11.54 H new ATOM 0 HD12 LEU A 78 1.851 -5.775 9.570 1.00 11.54 H new ATOM 0 HD13 LEU A 78 3.047 -4.644 10.246 1.00 11.54 H new ATOM 0 HD21 LEU A 78 2.942 -5.894 13.122 1.00 75.35 H new ATOM 0 HD22 LEU A 78 2.897 -4.133 12.868 1.00 75.35 H new ATOM 0 HD23 LEU A 78 1.594 -4.935 13.778 1.00 75.35 H new ATOM 1273 N ARG A 79 -0.919 -1.314 11.762 1.00 63.32 N ATOM 1274 CA ARG A 79 -1.713 -0.317 11.057 1.00 21.03 C ATOM 1275 C ARG A 79 -1.625 -0.612 9.558 1.00 35.33 C ATOM 1276 O ARG A 79 -0.535 -0.835 9.029 1.00 55.10 O ATOM 1277 CB ARG A 79 -1.221 1.115 11.371 1.00 40.33 C ATOM 1278 CG ARG A 79 -1.311 1.509 12.863 1.00 22.41 C ATOM 1279 CD ARG A 79 -1.028 3.000 13.105 1.00 60.04 C ATOM 1280 NE ARG A 79 -2.026 3.871 12.449 1.00 62.40 N ATOM 1281 CZ ARG A 79 -2.144 5.201 12.640 1.00 34.12 C ATOM 1282 NH1 ARG A 79 -1.331 5.858 13.473 1.00 51.12 N ATOM 1283 NH2 ARG A 79 -3.102 5.867 12.005 1.00 2.20 N ATOM 0 H ARG A 79 -0.010 -0.976 12.078 1.00 63.32 H new ATOM 0 HA ARG A 79 -2.751 -0.372 11.387 1.00 21.03 H new ATOM 0 HB2 ARG A 79 -0.185 1.210 11.045 1.00 40.33 H new ATOM 0 HB3 ARG A 79 -1.806 1.824 10.785 1.00 40.33 H new ATOM 0 HG2 ARG A 79 -2.305 1.267 13.238 1.00 22.41 H new ATOM 0 HG3 ARG A 79 -0.601 0.912 13.435 1.00 22.41 H new ATOM 0 HD2 ARG A 79 -1.024 3.198 14.177 1.00 60.04 H new ATOM 0 HD3 ARG A 79 -0.033 3.245 12.732 1.00 60.04 H new ATOM 0 HE ARG A 79 -2.678 3.431 11.800 1.00 62.40 H new ATOM 0 HH11 ARG A 79 -0.603 5.353 13.979 1.00 51.12 H new ATOM 0 HH12 ARG A 79 -1.438 6.864 13.602 1.00 51.12 H new ATOM 0 HH21 ARG A 79 -3.739 5.372 11.381 1.00 2.20 H new ATOM 0 HH22 ARG A 79 -3.201 6.873 12.142 1.00 2.20 H new ATOM 1297 N VAL A 80 -2.776 -0.689 8.897 1.00 14.14 N ATOM 1298 CA VAL A 80 -2.852 -0.905 7.453 1.00 24.44 C ATOM 1299 C VAL A 80 -3.250 0.403 6.778 1.00 41.13 C ATOM 1300 O VAL A 80 -4.164 1.088 7.239 1.00 54.14 O ATOM 1301 CB VAL A 80 -3.888 -2.021 7.081 1.00 53.11 C ATOM 1302 CG1 VAL A 80 -3.849 -2.329 5.563 1.00 0.45 C ATOM 1303 CG2 VAL A 80 -3.662 -3.295 7.922 1.00 2.10 C ATOM 0 H VAL A 80 -3.687 -0.603 9.348 1.00 14.14 H new ATOM 0 HA VAL A 80 -1.873 -1.236 7.107 1.00 24.44 H new ATOM 0 HB VAL A 80 -4.884 -1.647 7.317 1.00 53.11 H new ATOM 0 HG11 VAL A 80 -4.577 -3.106 5.331 1.00 0.45 H new ATOM 0 HG12 VAL A 80 -4.091 -1.426 5.002 1.00 0.45 H new ATOM 0 HG13 VAL A 80 -2.852 -2.671 5.287 1.00 0.45 H new ATOM 0 HG21 VAL A 80 -4.395 -4.051 7.642 1.00 2.10 H new ATOM 0 HG22 VAL A 80 -2.658 -3.678 7.739 1.00 2.10 H new ATOM 0 HG23 VAL A 80 -3.773 -3.057 8.980 1.00 2.10 H new ATOM 1313 N ILE A 81 -2.526 0.758 5.717 1.00 13.22 N ATOM 1314 CA ILE A 81 -2.854 1.885 4.842 1.00 11.04 C ATOM 1315 C ILE A 81 -3.006 1.310 3.432 1.00 64.31 C ATOM 1316 O ILE A 81 -2.209 0.482 3.032 1.00 34.21 O ATOM 1317 CB ILE A 81 -1.767 3.045 4.851 1.00 64.22 C ATOM 1318 CG1 ILE A 81 -1.755 3.862 6.199 1.00 2.21 C ATOM 1319 CG2 ILE A 81 -1.969 4.004 3.652 1.00 3.43 C ATOM 1320 CD1 ILE A 81 -1.144 3.157 7.398 1.00 12.21 C ATOM 0 H ILE A 81 -1.680 0.262 5.436 1.00 13.22 H new ATOM 0 HA ILE A 81 -3.769 2.356 5.202 1.00 11.04 H new ATOM 0 HB ILE A 81 -0.798 2.555 4.761 1.00 64.22 H new ATOM 0 HG12 ILE A 81 -1.211 4.792 6.033 1.00 2.21 H new ATOM 0 HG13 ILE A 81 -2.781 4.133 6.446 1.00 2.21 H new ATOM 0 HG21 ILE A 81 -1.213 4.788 3.682 1.00 3.43 H new ATOM 0 HG22 ILE A 81 -1.877 3.446 2.720 1.00 3.43 H new ATOM 0 HG23 ILE A 81 -2.960 4.454 3.709 1.00 3.43 H new ATOM 0 HD11 ILE A 81 -1.190 3.812 8.268 1.00 12.21 H new ATOM 0 HD12 ILE A 81 -1.699 2.242 7.604 1.00 12.21 H new ATOM 0 HD13 ILE A 81 -0.104 2.910 7.184 1.00 12.21 H new ATOM 1332 N VAL A 82 -4.050 1.717 2.702 1.00 32.30 N ATOM 1333 CA VAL A 82 -4.289 1.278 1.319 1.00 41.14 C ATOM 1334 C VAL A 82 -4.347 2.522 0.418 1.00 35.34 C ATOM 1335 O VAL A 82 -5.237 3.329 0.566 1.00 70.42 O ATOM 1336 CB VAL A 82 -5.630 0.449 1.220 1.00 24.10 C ATOM 1337 CG1 VAL A 82 -5.944 0.032 -0.235 1.00 63.45 C ATOM 1338 CG2 VAL A 82 -5.599 -0.785 2.162 1.00 30.15 C ATOM 0 H VAL A 82 -4.757 2.363 3.053 1.00 32.30 H new ATOM 0 HA VAL A 82 -3.479 0.626 0.993 1.00 41.14 H new ATOM 0 HB VAL A 82 -6.437 1.103 1.550 1.00 24.10 H new ATOM 0 HG11 VAL A 82 -6.874 -0.536 -0.258 1.00 63.45 H new ATOM 0 HG12 VAL A 82 -6.047 0.923 -0.855 1.00 63.45 H new ATOM 0 HG13 VAL A 82 -5.132 -0.585 -0.620 1.00 63.45 H new ATOM 0 HG21 VAL A 82 -6.535 -1.335 2.072 1.00 30.15 H new ATOM 0 HG22 VAL A 82 -4.768 -1.434 1.884 1.00 30.15 H new ATOM 0 HG23 VAL A 82 -5.471 -0.453 3.192 1.00 30.15 H new ATOM 1348 N ILE A 83 -3.377 2.699 -0.490 1.00 22.23 N ATOM 1349 CA ILE A 83 -3.364 3.847 -1.423 1.00 30.35 C ATOM 1350 C ILE A 83 -3.786 3.366 -2.808 1.00 15.21 C ATOM 1351 O ILE A 83 -3.007 2.732 -3.512 1.00 22.11 O ATOM 1352 CB ILE A 83 -1.940 4.496 -1.515 1.00 62.23 C ATOM 1353 CG1 ILE A 83 -1.391 4.821 -0.100 1.00 2.44 C ATOM 1354 CG2 ILE A 83 -1.955 5.761 -2.421 1.00 53.42 C ATOM 1355 CD1 ILE A 83 0.066 5.211 -0.094 1.00 45.13 C ATOM 0 H ILE A 83 -2.587 2.063 -0.602 1.00 22.23 H new ATOM 0 HA ILE A 83 -4.057 4.601 -1.049 1.00 30.35 H new ATOM 0 HB ILE A 83 -1.269 3.772 -1.977 1.00 62.23 H new ATOM 0 HG12 ILE A 83 -1.978 5.632 0.331 1.00 2.44 H new ATOM 0 HG13 ILE A 83 -1.529 3.952 0.543 1.00 2.44 H new ATOM 0 HG21 ILE A 83 -0.953 6.189 -2.465 1.00 53.42 H new ATOM 0 HG22 ILE A 83 -2.277 5.485 -3.425 1.00 53.42 H new ATOM 0 HG23 ILE A 83 -2.646 6.496 -2.008 1.00 53.42 H new ATOM 0 HD11 ILE A 83 0.381 5.424 0.927 1.00 45.13 H new ATOM 0 HD12 ILE A 83 0.663 4.392 -0.495 1.00 45.13 H new ATOM 0 HD13 ILE A 83 0.207 6.099 -0.710 1.00 45.13 H new ATOM 1367 N ILE A 84 -5.017 3.665 -3.193 1.00 41.32 N ATOM 1368 CA ILE A 84 -5.547 3.270 -4.498 1.00 1.51 C ATOM 1369 C ILE A 84 -5.272 4.395 -5.498 1.00 24.10 C ATOM 1370 O ILE A 84 -5.849 5.481 -5.401 1.00 62.02 O ATOM 1371 CB ILE A 84 -7.082 2.959 -4.432 1.00 32.41 C ATOM 1372 CG1 ILE A 84 -7.396 2.054 -3.207 1.00 41.10 C ATOM 1373 CG2 ILE A 84 -7.569 2.292 -5.752 1.00 2.25 C ATOM 1374 CD1 ILE A 84 -8.865 1.866 -2.938 1.00 25.14 C ATOM 0 H ILE A 84 -5.678 4.186 -2.616 1.00 41.32 H new ATOM 0 HA ILE A 84 -5.050 2.354 -4.817 1.00 1.51 H new ATOM 0 HB ILE A 84 -7.620 3.900 -4.314 1.00 32.41 H new ATOM 0 HG12 ILE A 84 -6.939 1.077 -3.365 1.00 41.10 H new ATOM 0 HG13 ILE A 84 -6.928 2.485 -2.322 1.00 41.10 H new ATOM 0 HG21 ILE A 84 -8.637 2.085 -5.683 1.00 2.25 H new ATOM 0 HG22 ILE A 84 -7.383 2.964 -6.590 1.00 2.25 H new ATOM 0 HG23 ILE A 84 -7.028 1.359 -5.909 1.00 2.25 H new ATOM 0 HD11 ILE A 84 -8.996 1.223 -2.068 1.00 25.14 H new ATOM 0 HD12 ILE A 84 -9.327 2.835 -2.746 1.00 25.14 H new ATOM 0 HD13 ILE A 84 -9.338 1.405 -3.805 1.00 25.14 H new ATOM 1386 N VAL A 85 -4.303 4.158 -6.375 1.00 55.05 N ATOM 1387 CA VAL A 85 -4.033 5.001 -7.533 1.00 12.54 C ATOM 1388 C VAL A 85 -4.769 4.409 -8.742 1.00 70.33 C ATOM 1389 O VAL A 85 -4.334 3.406 -9.310 1.00 41.35 O ATOM 1390 CB VAL A 85 -2.492 5.080 -7.833 1.00 41.15 C ATOM 1391 CG1 VAL A 85 -2.197 6.136 -8.927 1.00 41.14 C ATOM 1392 CG2 VAL A 85 -1.688 5.333 -6.533 1.00 31.35 C ATOM 0 H VAL A 85 -3.672 3.360 -6.299 1.00 55.05 H new ATOM 0 HA VAL A 85 -4.382 6.013 -7.329 1.00 12.54 H new ATOM 0 HB VAL A 85 -2.164 4.117 -8.225 1.00 41.15 H new ATOM 0 HG11 VAL A 85 -1.124 6.173 -9.118 1.00 41.14 H new ATOM 0 HG12 VAL A 85 -2.719 5.865 -9.844 1.00 41.14 H new ATOM 0 HG13 VAL A 85 -2.539 7.114 -8.590 1.00 41.14 H new ATOM 0 HG21 VAL A 85 -0.625 5.384 -6.767 1.00 31.35 H new ATOM 0 HG22 VAL A 85 -2.006 6.275 -6.086 1.00 31.35 H new ATOM 0 HG23 VAL A 85 -1.867 4.519 -5.830 1.00 31.35 H new ATOM 1402 N SER A 86 -5.905 5.005 -9.096 1.00 32.51 N ATOM 1403 CA SER A 86 -6.724 4.573 -10.232 1.00 0.01 C ATOM 1404 C SER A 86 -7.427 5.796 -10.833 1.00 74.23 C ATOM 1405 O SER A 86 -7.990 6.619 -10.103 1.00 34.54 O ATOM 1406 CB SER A 86 -7.774 3.520 -9.780 1.00 43.50 C ATOM 1407 OG SER A 86 -7.164 2.344 -9.261 1.00 24.21 O ATOM 0 H SER A 86 -6.289 5.809 -8.599 1.00 32.51 H new ATOM 0 HA SER A 86 -6.083 4.111 -10.983 1.00 0.01 H new ATOM 0 HB2 SER A 86 -8.421 3.958 -9.020 1.00 43.50 H new ATOM 0 HB3 SER A 86 -8.409 3.256 -10.626 1.00 43.50 H new ATOM 0 HG SER A 86 -7.858 1.709 -8.987 1.00 24.21 H new ATOM 1413 N GLN A 87 -7.373 5.914 -12.168 1.00 42.02 N ATOM 1414 CA GLN A 87 -8.188 6.886 -12.916 1.00 63.24 C ATOM 1415 C GLN A 87 -9.679 6.497 -12.797 1.00 51.12 C ATOM 1416 O GLN A 87 -10.570 7.351 -12.855 1.00 53.32 O ATOM 1417 CB GLN A 87 -7.727 6.941 -14.400 1.00 11.42 C ATOM 1418 CG GLN A 87 -7.845 5.602 -15.165 1.00 63.00 C ATOM 1419 CD GLN A 87 -7.268 5.637 -16.588 1.00 15.45 C ATOM 1420 OE1 GLN A 87 -6.321 6.371 -16.874 1.00 34.14 O ATOM 1421 NE2 GLN A 87 -7.830 4.840 -17.488 1.00 63.52 N ATOM 0 H GLN A 87 -6.768 5.343 -12.758 1.00 42.02 H new ATOM 0 HA GLN A 87 -8.057 7.883 -12.496 1.00 63.24 H new ATOM 0 HB2 GLN A 87 -8.317 7.695 -14.922 1.00 11.42 H new ATOM 0 HB3 GLN A 87 -6.689 7.271 -14.431 1.00 11.42 H new ATOM 0 HG2 GLN A 87 -7.333 4.825 -14.597 1.00 63.00 H new ATOM 0 HG3 GLN A 87 -8.896 5.318 -15.218 1.00 63.00 H new ATOM 0 HE21 GLN A 87 -8.613 4.243 -17.222 1.00 63.52 H new ATOM 0 HE22 GLN A 87 -7.479 4.824 -18.446 1.00 63.52 H new ATOM 1430 N ASP A 88 -9.919 5.182 -12.609 1.00 0.33 N ATOM 1431 CA ASP A 88 -11.242 4.624 -12.319 1.00 22.32 C ATOM 1432 C ASP A 88 -11.686 5.058 -10.914 1.00 1.34 C ATOM 1433 O ASP A 88 -11.273 4.457 -9.916 1.00 43.45 O ATOM 1434 CB ASP A 88 -11.222 3.074 -12.422 1.00 30.30 C ATOM 1435 CG ASP A 88 -10.927 2.566 -13.836 1.00 72.43 C ATOM 1436 OD1 ASP A 88 -9.736 2.406 -14.185 1.00 62.43 O ATOM 1437 OD2 ASP A 88 -11.883 2.343 -14.613 1.00 74.11 O ATOM 0 H ASP A 88 -9.185 4.475 -12.657 1.00 0.33 H new ATOM 0 HA ASP A 88 -11.951 5.002 -13.055 1.00 22.32 H new ATOM 0 HB2 ASP A 88 -10.470 2.681 -11.738 1.00 30.30 H new ATOM 0 HB3 ASP A 88 -12.186 2.682 -12.096 1.00 30.30 H new ATOM 1442 N GLU A 89 -12.496 6.130 -10.850 1.00 70.32 N ATOM 1443 CA GLU A 89 -13.015 6.677 -9.577 1.00 74.12 C ATOM 1444 C GLU A 89 -14.047 5.742 -8.939 1.00 54.34 C ATOM 1445 O GLU A 89 -14.287 5.810 -7.723 1.00 52.54 O ATOM 1446 CB GLU A 89 -13.576 8.104 -9.769 1.00 63.32 C ATOM 1447 CG GLU A 89 -12.518 9.108 -10.273 1.00 53.44 C ATOM 1448 CD GLU A 89 -12.962 10.575 -10.180 1.00 4.43 C ATOM 1449 OE1 GLU A 89 -12.981 11.122 -9.059 1.00 45.11 O ATOM 1450 OE2 GLU A 89 -13.293 11.188 -11.220 1.00 24.50 O ATOM 0 H GLU A 89 -12.810 6.642 -11.674 1.00 70.32 H new ATOM 0 HA GLU A 89 -12.177 6.746 -8.883 1.00 74.12 H new ATOM 0 HB2 GLU A 89 -14.403 8.070 -10.478 1.00 63.32 H new ATOM 0 HB3 GLU A 89 -13.982 8.459 -8.822 1.00 63.32 H new ATOM 0 HG2 GLU A 89 -11.603 8.978 -9.695 1.00 53.44 H new ATOM 0 HG3 GLU A 89 -12.276 8.876 -11.310 1.00 53.44 H new ATOM 1457 N GLU A 90 -14.651 4.872 -9.775 1.00 64.34 N ATOM 1458 CA GLU A 90 -15.480 3.754 -9.305 1.00 65.14 C ATOM 1459 C GLU A 90 -14.622 2.827 -8.424 1.00 72.40 C ATOM 1460 O GLU A 90 -14.942 2.606 -7.259 1.00 34.42 O ATOM 1461 CB GLU A 90 -16.051 2.954 -10.512 1.00 40.11 C ATOM 1462 CG GLU A 90 -16.866 3.794 -11.512 1.00 54.42 C ATOM 1463 CD GLU A 90 -17.253 2.997 -12.768 1.00 52.42 C ATOM 1464 OE1 GLU A 90 -16.433 2.907 -13.702 1.00 43.41 O ATOM 1465 OE2 GLU A 90 -18.370 2.439 -12.822 1.00 35.05 O ATOM 0 H GLU A 90 -14.575 4.928 -10.791 1.00 64.34 H new ATOM 0 HA GLU A 90 -16.316 4.147 -8.726 1.00 65.14 H new ATOM 0 HB2 GLU A 90 -15.223 2.484 -11.043 1.00 40.11 H new ATOM 0 HB3 GLU A 90 -16.683 2.151 -10.132 1.00 40.11 H new ATOM 0 HG2 GLU A 90 -17.770 4.159 -11.024 1.00 54.42 H new ATOM 0 HG3 GLU A 90 -16.286 4.669 -11.805 1.00 54.42 H new ATOM 1472 N ALA A 91 -13.469 2.391 -8.986 1.00 72.23 N ATOM 1473 CA ALA A 91 -12.531 1.456 -8.326 1.00 4.44 C ATOM 1474 C ALA A 91 -11.885 2.086 -7.080 1.00 64.34 C ATOM 1475 O ALA A 91 -11.551 1.370 -6.123 1.00 74.14 O ATOM 1476 CB ALA A 91 -11.449 1.004 -9.321 1.00 32.50 C ATOM 0 H ALA A 91 -13.164 2.681 -9.915 1.00 72.23 H new ATOM 0 HA ALA A 91 -13.100 0.587 -7.997 1.00 4.44 H new ATOM 0 HB1 ALA A 91 -10.764 0.316 -8.826 1.00 32.50 H new ATOM 0 HB2 ALA A 91 -11.919 0.502 -10.166 1.00 32.50 H new ATOM 0 HB3 ALA A 91 -10.896 1.873 -9.677 1.00 32.50 H new ATOM 1482 N LEU A 92 -11.715 3.432 -7.112 1.00 71.51 N ATOM 1483 CA LEU A 92 -11.226 4.208 -5.958 1.00 44.40 C ATOM 1484 C LEU A 92 -12.166 4.031 -4.765 1.00 45.24 C ATOM 1485 O LEU A 92 -11.730 3.616 -3.705 1.00 60.44 O ATOM 1486 CB LEU A 92 -11.096 5.722 -6.293 1.00 52.22 C ATOM 1487 CG LEU A 92 -9.976 6.120 -7.297 1.00 62.20 C ATOM 1488 CD1 LEU A 92 -9.996 7.631 -7.569 1.00 30.20 C ATOM 1489 CD2 LEU A 92 -8.598 5.683 -6.797 1.00 41.44 C ATOM 0 H LEU A 92 -11.913 4.001 -7.935 1.00 71.51 H new ATOM 0 HA LEU A 92 -10.235 3.828 -5.708 1.00 44.40 H new ATOM 0 HB2 LEU A 92 -12.050 6.065 -6.693 1.00 52.22 H new ATOM 0 HB3 LEU A 92 -10.927 6.264 -5.362 1.00 52.22 H new ATOM 0 HG LEU A 92 -10.174 5.599 -8.234 1.00 62.20 H new ATOM 0 HD11 LEU A 92 -9.204 7.884 -8.274 1.00 30.20 H new ATOM 0 HD12 LEU A 92 -10.961 7.912 -7.991 1.00 30.20 H new ATOM 0 HD13 LEU A 92 -9.837 8.171 -6.635 1.00 30.20 H new ATOM 0 HD21 LEU A 92 -7.838 5.976 -7.522 1.00 41.44 H new ATOM 0 HD22 LEU A 92 -8.390 6.161 -5.840 1.00 41.44 H new ATOM 0 HD23 LEU A 92 -8.582 4.600 -6.673 1.00 41.44 H new ATOM 1501 N ARG A 93 -13.468 4.309 -4.984 1.00 32.02 N ATOM 1502 CA ARG A 93 -14.490 4.286 -3.915 1.00 31.43 C ATOM 1503 C ARG A 93 -14.826 2.857 -3.455 1.00 33.34 C ATOM 1504 O ARG A 93 -15.108 2.640 -2.269 1.00 13.31 O ATOM 1505 CB ARG A 93 -15.779 5.006 -4.361 1.00 61.13 C ATOM 1506 CG ARG A 93 -15.642 6.542 -4.505 1.00 24.22 C ATOM 1507 CD ARG A 93 -17.006 7.250 -4.452 1.00 55.14 C ATOM 1508 NE ARG A 93 -17.726 6.930 -3.195 1.00 41.42 N ATOM 1509 CZ ARG A 93 -18.789 7.585 -2.708 1.00 33.20 C ATOM 1510 NH1 ARG A 93 -19.302 8.637 -3.343 1.00 61.35 N ATOM 1511 NH2 ARG A 93 -19.341 7.182 -1.574 1.00 70.41 N ATOM 0 H ARG A 93 -13.840 4.555 -5.902 1.00 32.02 H new ATOM 0 HA ARG A 93 -14.058 4.817 -3.067 1.00 31.43 H new ATOM 0 HB2 ARG A 93 -16.099 4.592 -5.317 1.00 61.13 H new ATOM 0 HB3 ARG A 93 -16.568 4.791 -3.640 1.00 61.13 H new ATOM 0 HG2 ARG A 93 -15.004 6.925 -3.709 1.00 24.22 H new ATOM 0 HG3 ARG A 93 -15.149 6.775 -5.449 1.00 24.22 H new ATOM 0 HD2 ARG A 93 -16.863 8.328 -4.528 1.00 55.14 H new ATOM 0 HD3 ARG A 93 -17.610 6.947 -5.308 1.00 55.14 H new ATOM 0 HE ARG A 93 -17.380 6.139 -2.652 1.00 41.42 H new ATOM 0 HH11 ARG A 93 -18.885 8.958 -4.217 1.00 61.35 H new ATOM 0 HH12 ARG A 93 -20.112 9.122 -2.955 1.00 61.35 H new ATOM 0 HH21 ARG A 93 -18.957 6.378 -1.077 1.00 70.41 H new ATOM 0 HH22 ARG A 93 -20.150 7.675 -1.197 1.00 70.41 H new ATOM 1525 N LYS A 94 -14.799 1.903 -4.405 1.00 14.12 N ATOM 1526 CA LYS A 94 -15.081 0.483 -4.126 1.00 34.31 C ATOM 1527 C LYS A 94 -14.062 -0.069 -3.136 1.00 61.34 C ATOM 1528 O LYS A 94 -14.434 -0.681 -2.146 1.00 3.01 O ATOM 1529 CB LYS A 94 -15.075 -0.348 -5.437 1.00 41.50 C ATOM 1530 CG LYS A 94 -16.274 -0.065 -6.357 1.00 71.41 C ATOM 1531 CD LYS A 94 -16.177 -0.794 -7.712 1.00 14.51 C ATOM 1532 CE LYS A 94 -17.394 -0.514 -8.604 1.00 32.11 C ATOM 1533 NZ LYS A 94 -18.670 -0.919 -7.951 1.00 63.13 N ATOM 0 H LYS A 94 -14.582 2.094 -5.383 1.00 14.12 H new ATOM 0 HA LYS A 94 -16.074 0.408 -3.684 1.00 34.31 H new ATOM 0 HB2 LYS A 94 -14.154 -0.142 -5.982 1.00 41.50 H new ATOM 0 HB3 LYS A 94 -15.065 -1.408 -5.184 1.00 41.50 H new ATOM 0 HG2 LYS A 94 -17.192 -0.367 -5.853 1.00 71.41 H new ATOM 0 HG3 LYS A 94 -16.345 1.008 -6.532 1.00 71.41 H new ATOM 0 HD2 LYS A 94 -15.270 -0.481 -8.228 1.00 14.51 H new ATOM 0 HD3 LYS A 94 -16.092 -1.867 -7.541 1.00 14.51 H new ATOM 0 HE2 LYS A 94 -17.431 0.549 -8.844 1.00 32.11 H new ATOM 0 HE3 LYS A 94 -17.283 -1.050 -9.547 1.00 32.11 H new ATOM 0 HZ1 LYS A 94 -19.438 -0.905 -8.652 1.00 63.13 H new ATOM 0 HZ2 LYS A 94 -18.572 -1.879 -7.563 1.00 63.13 H new ATOM 0 HZ3 LYS A 94 -18.892 -0.256 -7.181 1.00 63.13 H new ATOM 1547 N GLY A 95 -12.778 0.194 -3.412 1.00 20.31 N ATOM 1548 CA GLY A 95 -11.699 -0.215 -2.526 1.00 3.11 C ATOM 1549 C GLY A 95 -11.605 0.652 -1.272 1.00 20.11 C ATOM 1550 O GLY A 95 -11.249 0.152 -0.203 1.00 21.34 O ATOM 0 H GLY A 95 -12.468 0.691 -4.247 1.00 20.31 H new ATOM 0 HA2 GLY A 95 -11.849 -1.254 -2.234 1.00 3.11 H new ATOM 0 HA3 GLY A 95 -10.753 -0.169 -3.066 1.00 3.11 H new ATOM 1554 N TYR A 96 -11.925 1.966 -1.416 1.00 62.52 N ATOM 1555 CA TYR A 96 -11.773 2.954 -0.325 1.00 22.41 C ATOM 1556 C TYR A 96 -12.647 2.574 0.854 1.00 54.34 C ATOM 1557 O TYR A 96 -12.141 2.309 1.934 1.00 31.13 O ATOM 1558 CB TYR A 96 -12.109 4.401 -0.809 1.00 14.34 C ATOM 1559 CG TYR A 96 -12.038 5.502 0.274 1.00 34.44 C ATOM 1560 CD1 TYR A 96 -10.813 6.006 0.723 1.00 70.12 C ATOM 1561 CD2 TYR A 96 -13.196 6.036 0.852 1.00 74.44 C ATOM 1562 CE1 TYR A 96 -10.746 6.983 1.694 1.00 72.11 C ATOM 1563 CE2 TYR A 96 -13.129 7.011 1.827 1.00 71.13 C ATOM 1564 CZ TYR A 96 -11.902 7.482 2.244 1.00 14.42 C ATOM 1565 OH TYR A 96 -11.836 8.443 3.229 1.00 3.41 O ATOM 0 H TYR A 96 -12.291 2.362 -2.282 1.00 62.52 H new ATOM 0 HA TYR A 96 -10.729 2.945 -0.011 1.00 22.41 H new ATOM 0 HB2 TYR A 96 -11.423 4.664 -1.614 1.00 14.34 H new ATOM 0 HB3 TYR A 96 -13.113 4.399 -1.234 1.00 14.34 H new ATOM 0 HD1 TYR A 96 -9.897 5.621 0.299 1.00 70.12 H new ATOM 0 HD2 TYR A 96 -14.162 5.678 0.528 1.00 74.44 H new ATOM 0 HE1 TYR A 96 -9.787 7.355 2.022 1.00 72.11 H new ATOM 0 HE2 TYR A 96 -14.036 7.404 2.262 1.00 71.13 H new ATOM 0 HH TYR A 96 -12.743 8.688 3.508 1.00 3.41 H new ATOM 1575 N GLU A 97 -13.949 2.483 0.593 1.00 32.23 N ATOM 1576 CA GLU A 97 -14.965 2.270 1.624 1.00 42.42 C ATOM 1577 C GLU A 97 -14.943 0.815 2.135 1.00 63.10 C ATOM 1578 O GLU A 97 -15.177 0.574 3.320 1.00 24.42 O ATOM 1579 CB GLU A 97 -16.340 2.686 1.045 1.00 64.22 C ATOM 1580 CG GLU A 97 -16.371 4.158 0.559 1.00 40.42 C ATOM 1581 CD GLU A 97 -17.673 4.572 -0.141 1.00 13.03 C ATOM 1582 OE1 GLU A 97 -18.611 5.039 0.545 1.00 12.35 O ATOM 1583 OE2 GLU A 97 -17.760 4.450 -1.381 1.00 34.43 O ATOM 0 H GLU A 97 -14.333 2.556 -0.349 1.00 32.23 H new ATOM 0 HA GLU A 97 -14.756 2.888 2.497 1.00 42.42 H new ATOM 0 HB2 GLU A 97 -16.592 2.029 0.213 1.00 64.22 H new ATOM 0 HB3 GLU A 97 -17.107 2.544 1.806 1.00 64.22 H new ATOM 0 HG2 GLU A 97 -16.210 4.813 1.415 1.00 40.42 H new ATOM 0 HG3 GLU A 97 -15.539 4.318 -0.126 1.00 40.42 H new ATOM 1590 N ASP A 98 -14.605 -0.136 1.235 1.00 73.42 N ATOM 1591 CA ASP A 98 -14.532 -1.583 1.554 1.00 54.35 C ATOM 1592 C ASP A 98 -13.381 -1.895 2.526 1.00 1.20 C ATOM 1593 O ASP A 98 -13.532 -2.700 3.449 1.00 52.34 O ATOM 1594 CB ASP A 98 -14.360 -2.416 0.262 1.00 23.00 C ATOM 1595 CG ASP A 98 -14.196 -3.921 0.509 1.00 55.14 C ATOM 1596 OD1 ASP A 98 -15.195 -4.581 0.854 1.00 60.42 O ATOM 1597 OD2 ASP A 98 -13.071 -4.457 0.372 1.00 14.02 O ATOM 0 H ASP A 98 -14.374 0.077 0.265 1.00 73.42 H new ATOM 0 HA ASP A 98 -15.470 -1.854 2.039 1.00 54.35 H new ATOM 0 HB2 ASP A 98 -15.226 -2.256 -0.380 1.00 23.00 H new ATOM 0 HB3 ASP A 98 -13.489 -2.050 -0.281 1.00 23.00 H new ATOM 1602 N LYS A 99 -12.221 -1.290 2.271 1.00 42.03 N ATOM 1603 CA LYS A 99 -11.034 -1.449 3.127 1.00 4.21 C ATOM 1604 C LYS A 99 -11.169 -0.590 4.403 1.00 1.21 C ATOM 1605 O LYS A 99 -10.761 -1.016 5.484 1.00 10.23 O ATOM 1606 CB LYS A 99 -9.728 -1.115 2.328 1.00 42.24 C ATOM 1607 CG LYS A 99 -9.148 -2.290 1.483 1.00 53.25 C ATOM 1608 CD LYS A 99 -10.123 -2.836 0.417 1.00 13.24 C ATOM 1609 CE LYS A 99 -9.569 -4.052 -0.331 1.00 73.31 C ATOM 1610 NZ LYS A 99 -10.596 -4.651 -1.221 1.00 4.24 N ATOM 0 H LYS A 99 -12.073 -0.677 1.469 1.00 42.03 H new ATOM 0 HA LYS A 99 -10.962 -2.490 3.441 1.00 4.21 H new ATOM 0 HB2 LYS A 99 -9.933 -0.276 1.662 1.00 42.24 H new ATOM 0 HB3 LYS A 99 -8.965 -0.784 3.032 1.00 42.24 H new ATOM 0 HG2 LYS A 99 -8.236 -1.954 0.989 1.00 53.25 H new ATOM 0 HG3 LYS A 99 -8.866 -3.102 2.153 1.00 53.25 H new ATOM 0 HD2 LYS A 99 -11.063 -3.108 0.897 1.00 13.24 H new ATOM 0 HD3 LYS A 99 -10.349 -2.047 -0.300 1.00 13.24 H new ATOM 0 HE2 LYS A 99 -8.702 -3.755 -0.921 1.00 73.31 H new ATOM 0 HE3 LYS A 99 -9.226 -4.798 0.386 1.00 73.31 H new ATOM 0 HZ1 LYS A 99 -10.259 -5.571 -1.569 1.00 4.24 H new ATOM 0 HZ2 LYS A 99 -11.480 -4.784 -0.690 1.00 4.24 H new ATOM 0 HZ3 LYS A 99 -10.768 -4.018 -2.028 1.00 4.24 H new ATOM 1624 N LYS A 100 -11.790 0.601 4.267 1.00 21.22 N ATOM 1625 CA LYS A 100 -11.953 1.568 5.383 1.00 60.44 C ATOM 1626 C LYS A 100 -12.897 1.024 6.468 1.00 31.33 C ATOM 1627 O LYS A 100 -12.676 1.267 7.661 1.00 61.04 O ATOM 1628 CB LYS A 100 -12.464 2.927 4.839 1.00 22.51 C ATOM 1629 CG LYS A 100 -12.510 4.088 5.856 1.00 71.04 C ATOM 1630 CD LYS A 100 -12.982 5.411 5.203 1.00 72.23 C ATOM 1631 CE LYS A 100 -13.025 6.588 6.191 1.00 54.35 C ATOM 1632 NZ LYS A 100 -14.011 6.371 7.288 1.00 61.13 N ATOM 0 H LYS A 100 -12.192 0.922 3.386 1.00 21.22 H new ATOM 0 HA LYS A 100 -10.978 1.718 5.847 1.00 60.44 H new ATOM 0 HB2 LYS A 100 -11.828 3.225 4.006 1.00 22.51 H new ATOM 0 HB3 LYS A 100 -13.467 2.781 4.438 1.00 22.51 H new ATOM 0 HG2 LYS A 100 -13.182 3.827 6.674 1.00 71.04 H new ATOM 0 HG3 LYS A 100 -11.520 4.230 6.289 1.00 71.04 H new ATOM 0 HD2 LYS A 100 -12.315 5.661 4.378 1.00 72.23 H new ATOM 0 HD3 LYS A 100 -13.975 5.265 4.777 1.00 72.23 H new ATOM 0 HE2 LYS A 100 -12.034 6.735 6.620 1.00 54.35 H new ATOM 0 HE3 LYS A 100 -13.278 7.502 5.653 1.00 54.35 H new ATOM 0 HZ1 LYS A 100 -14.066 7.225 7.880 1.00 61.13 H new ATOM 0 HZ2 LYS A 100 -14.947 6.172 6.880 1.00 61.13 H new ATOM 0 HZ3 LYS A 100 -13.710 5.564 7.871 1.00 61.13 H new ATOM 1646 N LYS A 101 -13.932 0.266 6.046 1.00 63.04 N ATOM 1647 CA LYS A 101 -14.901 -0.350 6.979 1.00 53.15 C ATOM 1648 C LYS A 101 -14.258 -1.530 7.735 1.00 74.43 C ATOM 1649 O LYS A 101 -14.669 -1.853 8.852 1.00 21.32 O ATOM 1650 CB LYS A 101 -16.190 -0.806 6.239 1.00 74.45 C ATOM 1651 CG LYS A 101 -16.002 -1.995 5.277 1.00 51.22 C ATOM 1652 CD LYS A 101 -17.294 -2.396 4.530 1.00 1.12 C ATOM 1653 CE LYS A 101 -17.808 -1.297 3.588 1.00 24.52 C ATOM 1654 NZ LYS A 101 -19.028 -1.714 2.857 1.00 15.14 N ATOM 0 H LYS A 101 -14.118 0.066 5.063 1.00 63.04 H new ATOM 0 HA LYS A 101 -15.188 0.409 7.707 1.00 53.15 H new ATOM 0 HB2 LYS A 101 -16.942 -1.074 6.981 1.00 74.45 H new ATOM 0 HB3 LYS A 101 -16.586 0.039 5.675 1.00 74.45 H new ATOM 0 HG2 LYS A 101 -15.233 -1.743 4.547 1.00 51.22 H new ATOM 0 HG3 LYS A 101 -15.637 -2.853 5.841 1.00 51.22 H new ATOM 0 HD2 LYS A 101 -17.108 -3.303 3.954 1.00 1.12 H new ATOM 0 HD3 LYS A 101 -18.069 -2.634 5.258 1.00 1.12 H new ATOM 0 HE2 LYS A 101 -18.021 -0.397 4.164 1.00 24.52 H new ATOM 0 HE3 LYS A 101 -17.027 -1.040 2.872 1.00 24.52 H new ATOM 0 HZ1 LYS A 101 -19.340 -0.942 2.233 1.00 15.14 H new ATOM 0 HZ2 LYS A 101 -18.819 -2.558 2.286 1.00 15.14 H new ATOM 0 HZ3 LYS A 101 -19.782 -1.935 3.538 1.00 15.14 H new ATOM 1668 N LYS A 102 -13.251 -2.169 7.103 1.00 41.54 N ATOM 1669 CA LYS A 102 -12.423 -3.211 7.749 1.00 62.34 C ATOM 1670 C LYS A 102 -11.434 -2.568 8.751 1.00 21.34 C ATOM 1671 O LYS A 102 -10.872 -3.255 9.609 1.00 63.11 O ATOM 1672 CB LYS A 102 -11.639 -4.008 6.675 1.00 1.11 C ATOM 1673 CG LYS A 102 -12.496 -4.848 5.698 1.00 14.42 C ATOM 1674 CD LYS A 102 -11.631 -5.526 4.603 1.00 70.45 C ATOM 1675 CE LYS A 102 -12.434 -6.426 3.658 1.00 3.11 C ATOM 1676 NZ LYS A 102 -13.521 -5.690 2.975 1.00 11.32 N ATOM 0 H LYS A 102 -12.989 -1.979 6.136 1.00 41.54 H new ATOM 0 HA LYS A 102 -13.080 -3.891 8.291 1.00 62.34 H new ATOM 0 HB2 LYS A 102 -11.042 -3.306 6.093 1.00 1.11 H new ATOM 0 HB3 LYS A 102 -10.942 -4.675 7.182 1.00 1.11 H new ATOM 0 HG2 LYS A 102 -13.039 -5.611 6.256 1.00 14.42 H new ATOM 0 HG3 LYS A 102 -13.241 -4.207 5.227 1.00 14.42 H new ATOM 0 HD2 LYS A 102 -11.130 -4.755 4.018 1.00 70.45 H new ATOM 0 HD3 LYS A 102 -10.852 -6.119 5.082 1.00 70.45 H new ATOM 0 HE2 LYS A 102 -11.765 -6.856 2.913 1.00 3.11 H new ATOM 0 HE3 LYS A 102 -12.858 -7.256 4.223 1.00 3.11 H new ATOM 0 HZ1 LYS A 102 -14.441 -6.044 3.306 1.00 11.32 H new ATOM 0 HZ2 LYS A 102 -13.442 -4.676 3.190 1.00 11.32 H new ATOM 0 HZ3 LYS A 102 -13.445 -5.833 1.948 1.00 11.32 H new ATOM 1690 N GLY A 103 -11.228 -1.246 8.609 1.00 24.02 N ATOM 1691 CA GLY A 103 -10.426 -0.451 9.544 1.00 45.23 C ATOM 1692 C GLY A 103 -9.081 -0.031 8.979 1.00 23.34 C ATOM 1693 O GLY A 103 -8.197 0.379 9.736 1.00 41.00 O ATOM 0 H GLY A 103 -11.616 -0.702 7.839 1.00 24.02 H new ATOM 0 HA2 GLY A 103 -10.987 0.440 9.826 1.00 45.23 H new ATOM 0 HA3 GLY A 103 -10.265 -1.028 10.455 1.00 45.23 H new ATOM 1697 N TYR A 104 -8.928 -0.127 7.649 1.00 14.02 N ATOM 1698 CA TYR A 104 -7.680 0.232 6.952 1.00 4.03 C ATOM 1699 C TYR A 104 -7.760 1.706 6.520 1.00 10.22 C ATOM 1700 O TYR A 104 -8.800 2.153 6.026 1.00 75.43 O ATOM 1701 CB TYR A 104 -7.448 -0.693 5.718 1.00 64.03 C ATOM 1702 CG TYR A 104 -7.677 -2.204 5.971 1.00 31.14 C ATOM 1703 CD1 TYR A 104 -7.413 -2.806 7.207 1.00 52.43 C ATOM 1704 CD2 TYR A 104 -8.185 -3.026 4.968 1.00 24.31 C ATOM 1705 CE1 TYR A 104 -7.646 -4.150 7.413 1.00 51.01 C ATOM 1706 CE2 TYR A 104 -8.422 -4.361 5.176 1.00 50.14 C ATOM 1707 CZ TYR A 104 -8.151 -4.920 6.398 1.00 73.42 C ATOM 1708 OH TYR A 104 -8.405 -6.256 6.610 1.00 5.32 O ATOM 0 H TYR A 104 -9.665 -0.456 7.025 1.00 14.02 H new ATOM 0 HA TYR A 104 -6.835 0.095 7.627 1.00 4.03 H new ATOM 0 HB2 TYR A 104 -8.110 -0.372 4.914 1.00 64.03 H new ATOM 0 HB3 TYR A 104 -6.426 -0.551 5.365 1.00 64.03 H new ATOM 0 HD1 TYR A 104 -7.019 -2.207 8.015 1.00 52.43 H new ATOM 0 HD2 TYR A 104 -8.398 -2.600 3.999 1.00 24.31 H new ATOM 0 HE1 TYR A 104 -7.431 -4.595 8.373 1.00 51.01 H new ATOM 0 HE2 TYR A 104 -8.821 -4.970 4.379 1.00 50.14 H new ATOM 0 HH TYR A 104 -8.761 -6.656 5.789 1.00 5.32 H new ATOM 1718 N ASP A 105 -6.674 2.457 6.734 1.00 45.14 N ATOM 1719 CA ASP A 105 -6.608 3.893 6.411 1.00 50.34 C ATOM 1720 C ASP A 105 -6.337 4.061 4.908 1.00 34.31 C ATOM 1721 O ASP A 105 -5.207 3.895 4.460 1.00 74.31 O ATOM 1722 CB ASP A 105 -5.487 4.556 7.253 1.00 34.32 C ATOM 1723 CG ASP A 105 -5.531 6.087 7.227 1.00 35.31 C ATOM 1724 OD1 ASP A 105 -6.260 6.687 8.054 1.00 44.01 O ATOM 1725 OD2 ASP A 105 -4.845 6.702 6.394 1.00 14.34 O ATOM 0 H ASP A 105 -5.812 2.089 7.137 1.00 45.14 H new ATOM 0 HA ASP A 105 -7.554 4.378 6.650 1.00 50.34 H new ATOM 0 HB2 ASP A 105 -5.568 4.215 8.285 1.00 34.32 H new ATOM 0 HB3 ASP A 105 -4.518 4.221 6.882 1.00 34.32 H new ATOM 1730 N VAL A 106 -7.376 4.385 4.123 1.00 63.51 N ATOM 1731 CA VAL A 106 -7.285 4.371 2.654 1.00 5.23 C ATOM 1732 C VAL A 106 -7.150 5.798 2.091 1.00 71.02 C ATOM 1733 O VAL A 106 -7.679 6.757 2.661 1.00 44.51 O ATOM 1734 CB VAL A 106 -8.520 3.635 2.008 1.00 50.03 C ATOM 1735 CG1 VAL A 106 -8.312 3.409 0.491 1.00 41.04 C ATOM 1736 CG2 VAL A 106 -8.809 2.300 2.722 1.00 3.34 C ATOM 0 H VAL A 106 -8.290 4.660 4.481 1.00 63.51 H new ATOM 0 HA VAL A 106 -6.386 3.814 2.390 1.00 5.23 H new ATOM 0 HB VAL A 106 -9.388 4.283 2.135 1.00 50.03 H new ATOM 0 HG11 VAL A 106 -9.182 2.899 0.076 1.00 41.04 H new ATOM 0 HG12 VAL A 106 -8.184 4.371 -0.006 1.00 41.04 H new ATOM 0 HG13 VAL A 106 -7.424 2.798 0.333 1.00 41.04 H new ATOM 0 HG21 VAL A 106 -9.666 1.815 2.254 1.00 3.34 H new ATOM 0 HG22 VAL A 106 -7.938 1.650 2.645 1.00 3.34 H new ATOM 0 HG23 VAL A 106 -9.028 2.489 3.773 1.00 3.34 H new ATOM 1746 N TYR A 107 -6.399 5.919 0.987 1.00 34.42 N ATOM 1747 CA TYR A 107 -6.233 7.153 0.220 1.00 60.50 C ATOM 1748 C TYR A 107 -6.649 6.907 -1.236 1.00 70.13 C ATOM 1749 O TYR A 107 -6.419 5.823 -1.776 1.00 64.33 O ATOM 1750 CB TYR A 107 -4.758 7.616 0.274 1.00 15.43 C ATOM 1751 CG TYR A 107 -4.272 7.976 1.681 1.00 35.23 C ATOM 1752 CD1 TYR A 107 -4.645 9.181 2.275 1.00 43.53 C ATOM 1753 CD2 TYR A 107 -3.453 7.115 2.416 1.00 34.35 C ATOM 1754 CE1 TYR A 107 -4.220 9.514 3.541 1.00 12.54 C ATOM 1755 CE2 TYR A 107 -3.027 7.445 3.684 1.00 53.01 C ATOM 1756 CZ TYR A 107 -3.414 8.646 4.242 1.00 2.24 C ATOM 1757 OH TYR A 107 -2.978 8.986 5.502 1.00 44.13 O ATOM 0 H TYR A 107 -5.877 5.135 0.595 1.00 34.42 H new ATOM 0 HA TYR A 107 -6.862 7.932 0.651 1.00 60.50 H new ATOM 0 HB2 TYR A 107 -4.124 6.825 -0.127 1.00 15.43 H new ATOM 0 HB3 TYR A 107 -4.636 8.483 -0.375 1.00 15.43 H new ATOM 0 HD1 TYR A 107 -5.279 9.866 1.732 1.00 43.53 H new ATOM 0 HD2 TYR A 107 -3.148 6.174 1.982 1.00 34.35 H new ATOM 0 HE1 TYR A 107 -4.518 10.453 3.983 1.00 12.54 H new ATOM 0 HE2 TYR A 107 -2.394 6.768 4.238 1.00 53.01 H new ATOM 0 HH TYR A 107 -3.329 9.869 5.743 1.00 44.13 H new ATOM 1767 N THR A 108 -7.264 7.918 -1.854 1.00 3.12 N ATOM 1768 CA THR A 108 -7.677 7.891 -3.266 1.00 62.42 C ATOM 1769 C THR A 108 -6.785 8.838 -4.092 1.00 10.24 C ATOM 1770 O THR A 108 -6.325 9.873 -3.582 1.00 44.34 O ATOM 1771 CB THR A 108 -9.180 8.312 -3.402 1.00 44.51 C ATOM 1772 OG1 THR A 108 -9.397 9.574 -2.742 1.00 65.44 O ATOM 1773 CG2 THR A 108 -10.129 7.251 -2.804 1.00 51.31 C ATOM 0 H THR A 108 -7.494 8.793 -1.384 1.00 3.12 H new ATOM 0 HA THR A 108 -7.565 6.875 -3.645 1.00 62.42 H new ATOM 0 HB THR A 108 -9.401 8.403 -4.465 1.00 44.51 H new ATOM 0 HG1 THR A 108 -10.338 9.833 -2.832 1.00 65.44 H new ATOM 0 HG21 THR A 108 -11.162 7.581 -2.918 1.00 51.31 H new ATOM 0 HG22 THR A 108 -9.991 6.304 -3.325 1.00 51.31 H new ATOM 0 HG23 THR A 108 -9.906 7.118 -1.745 1.00 51.31 H new ATOM 1781 N SER A 109 -6.536 8.467 -5.358 1.00 41.23 N ATOM 1782 CA SER A 109 -5.729 9.264 -6.294 1.00 62.52 C ATOM 1783 C SER A 109 -6.070 8.884 -7.740 1.00 73.34 C ATOM 1784 O SER A 109 -6.154 7.703 -8.068 1.00 70.13 O ATOM 1785 CB SER A 109 -4.218 9.064 -6.007 1.00 2.22 C ATOM 1786 OG SER A 109 -3.891 7.710 -5.771 1.00 3.32 O ATOM 0 H SER A 109 -6.891 7.601 -5.763 1.00 41.23 H new ATOM 0 HA SER A 109 -5.962 10.320 -6.155 1.00 62.52 H new ATOM 0 HB2 SER A 109 -3.638 9.433 -6.853 1.00 2.22 H new ATOM 0 HB3 SER A 109 -3.933 9.661 -5.140 1.00 2.22 H new ATOM 0 HG SER A 109 -3.364 7.639 -4.948 1.00 3.32 H new ATOM 1792 N ARG A 110 -6.287 9.905 -8.585 1.00 21.54 N ATOM 1793 CA ARG A 110 -6.579 9.726 -10.022 1.00 13.34 C ATOM 1794 C ARG A 110 -5.281 9.731 -10.848 1.00 34.42 C ATOM 1795 O ARG A 110 -5.206 9.066 -11.893 1.00 32.23 O ATOM 1796 CB ARG A 110 -7.552 10.829 -10.557 1.00 33.20 C ATOM 1797 CG ARG A 110 -9.036 10.668 -10.156 1.00 23.13 C ATOM 1798 CD ARG A 110 -9.310 10.853 -8.656 1.00 71.21 C ATOM 1799 NE ARG A 110 -8.974 12.203 -8.171 1.00 53.53 N ATOM 1800 CZ ARG A 110 -9.858 13.104 -7.702 1.00 4.40 C ATOM 1801 NH1 ARG A 110 -11.166 12.841 -7.657 1.00 42.22 N ATOM 1802 NH2 ARG A 110 -9.423 14.260 -7.245 1.00 10.50 N ATOM 0 H ARG A 110 -6.265 10.882 -8.293 1.00 21.54 H new ATOM 0 HA ARG A 110 -7.069 8.758 -10.132 1.00 13.34 H new ATOM 0 HB2 ARG A 110 -7.202 11.799 -10.202 1.00 33.20 H new ATOM 0 HB3 ARG A 110 -7.489 10.846 -11.645 1.00 33.20 H new ATOM 0 HG2 ARG A 110 -9.631 11.391 -10.714 1.00 23.13 H new ATOM 0 HG3 ARG A 110 -9.376 9.677 -10.456 1.00 23.13 H new ATOM 0 HD2 ARG A 110 -10.363 10.653 -8.457 1.00 71.21 H new ATOM 0 HD3 ARG A 110 -8.735 10.117 -8.094 1.00 71.21 H new ATOM 0 HE ARG A 110 -7.992 12.477 -8.192 1.00 53.53 H new ATOM 0 HH11 ARG A 110 -11.517 11.940 -7.983 1.00 42.22 H new ATOM 0 HH12 ARG A 110 -11.815 13.541 -7.297 1.00 42.22 H new ATOM 0 HH21 ARG A 110 -8.424 14.466 -7.248 1.00 10.50 H new ATOM 0 HH22 ARG A 110 -10.085 14.949 -6.888 1.00 10.50 H new ATOM 1816 N ASN A 111 -4.263 10.485 -10.382 1.00 74.25 N ATOM 1817 CA ASN A 111 -3.009 10.700 -11.151 1.00 43.31 C ATOM 1818 C ASN A 111 -1.776 10.579 -10.240 1.00 43.11 C ATOM 1819 O ASN A 111 -1.920 10.368 -9.030 1.00 73.34 O ATOM 1820 CB ASN A 111 -3.046 12.075 -11.885 1.00 22.34 C ATOM 1821 CG ASN A 111 -2.838 13.291 -10.975 1.00 21.13 C ATOM 1822 OD1 ASN A 111 -1.717 13.749 -10.774 1.00 3.30 O ATOM 1823 ND2 ASN A 111 -3.904 13.816 -10.415 1.00 3.21 N ATOM 0 H ASN A 111 -4.281 10.957 -9.478 1.00 74.25 H new ATOM 0 HA ASN A 111 -2.931 9.920 -11.908 1.00 43.31 H new ATOM 0 HB2 ASN A 111 -2.277 12.080 -12.657 1.00 22.34 H new ATOM 0 HB3 ASN A 111 -4.006 12.176 -12.391 1.00 22.34 H new ATOM 0 HD21 ASN A 111 -3.811 14.622 -9.797 1.00 3.21 H new ATOM 0 HD22 ASN A 111 -4.825 13.417 -10.598 1.00 3.21 H new ATOM 1830 N GLU A 112 -0.573 10.738 -10.846 1.00 32.03 N ATOM 1831 CA GLU A 112 0.724 10.515 -10.168 1.00 42.31 C ATOM 1832 C GLU A 112 0.977 11.537 -9.041 1.00 45.43 C ATOM 1833 O GLU A 112 1.502 11.161 -7.998 1.00 44.35 O ATOM 1834 CB GLU A 112 1.908 10.564 -11.173 1.00 31.42 C ATOM 1835 CG GLU A 112 3.291 10.221 -10.545 1.00 54.32 C ATOM 1836 CD GLU A 112 4.481 10.773 -11.341 1.00 44.33 C ATOM 1837 OE1 GLU A 112 4.987 10.082 -12.253 1.00 24.34 O ATOM 1838 OE2 GLU A 112 4.911 11.920 -11.058 1.00 35.24 O ATOM 0 H GLU A 112 -0.477 11.025 -11.820 1.00 32.03 H new ATOM 0 HA GLU A 112 0.665 9.520 -9.727 1.00 42.31 H new ATOM 0 HB2 GLU A 112 1.708 9.867 -11.987 1.00 31.42 H new ATOM 0 HB3 GLU A 112 1.957 11.561 -11.611 1.00 31.42 H new ATOM 0 HG2 GLU A 112 3.328 10.617 -9.530 1.00 54.32 H new ATOM 0 HG3 GLU A 112 3.387 9.138 -10.468 1.00 54.32 H new ATOM 1845 N ASP A 113 0.625 12.824 -9.265 1.00 64.31 N ATOM 1846 CA ASP A 113 0.839 13.896 -8.255 1.00 32.13 C ATOM 1847 C ASP A 113 0.058 13.593 -6.968 1.00 11.43 C ATOM 1848 O ASP A 113 0.593 13.723 -5.856 1.00 43.45 O ATOM 1849 CB ASP A 113 0.434 15.291 -8.800 1.00 44.23 C ATOM 1850 CG ASP A 113 1.318 15.775 -9.963 1.00 51.20 C ATOM 1851 OD1 ASP A 113 1.006 15.463 -11.133 1.00 32.32 O ATOM 1852 OD2 ASP A 113 2.323 16.476 -9.710 1.00 60.34 O ATOM 0 H ASP A 113 0.193 13.148 -10.130 1.00 64.31 H new ATOM 0 HA ASP A 113 1.906 13.918 -8.031 1.00 32.13 H new ATOM 0 HB2 ASP A 113 -0.603 15.255 -9.133 1.00 44.23 H new ATOM 0 HB3 ASP A 113 0.484 16.018 -7.989 1.00 44.23 H new ATOM 1857 N GLU A 114 -1.209 13.170 -7.143 1.00 45.13 N ATOM 1858 CA GLU A 114 -2.065 12.734 -6.030 1.00 35.02 C ATOM 1859 C GLU A 114 -1.471 11.477 -5.360 1.00 62.43 C ATOM 1860 O GLU A 114 -1.335 11.429 -4.145 1.00 72.52 O ATOM 1861 CB GLU A 114 -3.506 12.469 -6.516 1.00 70.35 C ATOM 1862 CG GLU A 114 -4.242 13.710 -7.052 1.00 44.22 C ATOM 1863 CD GLU A 114 -5.685 13.396 -7.470 1.00 74.14 C ATOM 1864 OE1 GLU A 114 -5.891 12.925 -8.604 1.00 25.02 O ATOM 1865 OE2 GLU A 114 -6.610 13.569 -6.649 1.00 44.24 O ATOM 0 H GLU A 114 -1.663 13.122 -8.055 1.00 45.13 H new ATOM 0 HA GLU A 114 -2.104 13.534 -5.290 1.00 35.02 H new ATOM 0 HB2 GLU A 114 -3.477 11.713 -7.301 1.00 70.35 H new ATOM 0 HB3 GLU A 114 -4.082 12.050 -5.691 1.00 70.35 H new ATOM 0 HG2 GLU A 114 -4.249 14.485 -6.286 1.00 44.22 H new ATOM 0 HG3 GLU A 114 -3.698 14.112 -7.907 1.00 44.22 H new ATOM 1872 N ALA A 115 -1.062 10.502 -6.195 1.00 2.00 N ATOM 1873 CA ALA A 115 -0.480 9.212 -5.753 1.00 42.13 C ATOM 1874 C ALA A 115 0.752 9.420 -4.858 1.00 62.31 C ATOM 1875 O ALA A 115 0.923 8.752 -3.837 1.00 15.22 O ATOM 1876 CB ALA A 115 -0.084 8.390 -6.988 1.00 41.34 C ATOM 0 H ALA A 115 -1.126 10.586 -7.210 1.00 2.00 H new ATOM 0 HA ALA A 115 -1.231 8.682 -5.167 1.00 42.13 H new ATOM 0 HB1 ALA A 115 0.345 7.440 -6.670 1.00 41.34 H new ATOM 0 HB2 ALA A 115 -0.967 8.203 -7.599 1.00 41.34 H new ATOM 0 HB3 ALA A 115 0.652 8.943 -7.572 1.00 41.34 H new ATOM 1882 N LYS A 116 1.567 10.396 -5.271 1.00 64.54 N ATOM 1883 CA LYS A 116 2.869 10.710 -4.677 1.00 73.44 C ATOM 1884 C LYS A 116 2.703 11.357 -3.299 1.00 13.33 C ATOM 1885 O LYS A 116 3.425 11.009 -2.351 1.00 54.33 O ATOM 1886 CB LYS A 116 3.633 11.634 -5.657 1.00 4.32 C ATOM 1887 CG LYS A 116 5.057 12.046 -5.230 1.00 4.42 C ATOM 1888 CD LYS A 116 5.793 12.824 -6.352 1.00 51.11 C ATOM 1889 CE LYS A 116 6.025 11.962 -7.613 1.00 72.32 C ATOM 1890 NZ LYS A 116 6.635 12.736 -8.727 1.00 0.04 N ATOM 0 H LYS A 116 1.331 11.008 -6.052 1.00 64.54 H new ATOM 0 HA LYS A 116 3.441 9.796 -4.520 1.00 73.44 H new ATOM 0 HB2 LYS A 116 3.696 11.133 -6.623 1.00 4.32 H new ATOM 0 HB3 LYS A 116 3.044 12.539 -5.805 1.00 4.32 H new ATOM 0 HG2 LYS A 116 5.003 12.665 -4.334 1.00 4.42 H new ATOM 0 HG3 LYS A 116 5.630 11.156 -4.969 1.00 4.42 H new ATOM 0 HD2 LYS A 116 5.211 13.706 -6.620 1.00 51.11 H new ATOM 0 HD3 LYS A 116 6.753 13.178 -5.975 1.00 51.11 H new ATOM 0 HE2 LYS A 116 6.672 11.122 -7.361 1.00 72.32 H new ATOM 0 HE3 LYS A 116 5.074 11.544 -7.943 1.00 72.32 H new ATOM 0 HZ1 LYS A 116 6.119 12.541 -9.608 1.00 0.04 H new ATOM 0 HZ2 LYS A 116 6.583 13.752 -8.513 1.00 0.04 H new ATOM 0 HZ3 LYS A 116 7.630 12.456 -8.840 1.00 0.04 H new ATOM 1904 N LYS A 117 1.735 12.286 -3.192 1.00 44.23 N ATOM 1905 CA LYS A 117 1.474 12.994 -1.931 1.00 23.01 C ATOM 1906 C LYS A 117 0.798 12.052 -0.925 1.00 71.25 C ATOM 1907 O LYS A 117 1.125 12.091 0.254 1.00 72.23 O ATOM 1908 CB LYS A 117 0.637 14.286 -2.156 1.00 54.45 C ATOM 1909 CG LYS A 117 -0.885 14.094 -2.404 1.00 33.54 C ATOM 1910 CD LYS A 117 -1.628 15.369 -2.891 1.00 71.11 C ATOM 1911 CE LYS A 117 -1.400 16.629 -2.018 1.00 2.12 C ATOM 1912 NZ LYS A 117 -0.135 17.349 -2.361 1.00 51.23 N ATOM 0 H LYS A 117 1.125 12.561 -3.962 1.00 44.23 H new ATOM 0 HA LYS A 117 2.431 13.311 -1.516 1.00 23.01 H new ATOM 0 HB2 LYS A 117 0.762 14.929 -1.285 1.00 54.45 H new ATOM 0 HB3 LYS A 117 1.057 14.820 -3.009 1.00 54.45 H new ATOM 0 HG2 LYS A 117 -1.022 13.305 -3.143 1.00 33.54 H new ATOM 0 HG3 LYS A 117 -1.350 13.750 -1.480 1.00 33.54 H new ATOM 0 HD2 LYS A 117 -1.312 15.589 -3.911 1.00 71.11 H new ATOM 0 HD3 LYS A 117 -2.697 15.158 -2.927 1.00 71.11 H new ATOM 0 HE2 LYS A 117 -2.244 17.308 -2.140 1.00 2.12 H new ATOM 0 HE3 LYS A 117 -1.374 16.338 -0.968 1.00 2.12 H new ATOM 0 HZ1 LYS A 117 0.491 17.365 -1.531 1.00 51.23 H new ATOM 0 HZ2 LYS A 117 0.341 16.859 -3.145 1.00 51.23 H new ATOM 0 HZ3 LYS A 117 -0.357 18.324 -2.646 1.00 51.23 H new ATOM 1926 N LYS A 118 -0.107 11.174 -1.428 1.00 51.22 N ATOM 1927 CA LYS A 118 -0.851 10.196 -0.595 1.00 30.31 C ATOM 1928 C LYS A 118 0.079 9.093 -0.091 1.00 4.33 C ATOM 1929 O LYS A 118 -0.172 8.491 0.964 1.00 71.31 O ATOM 1930 CB LYS A 118 -2.049 9.587 -1.375 1.00 41.21 C ATOM 1931 CG LYS A 118 -3.128 10.610 -1.799 1.00 5.14 C ATOM 1932 CD LYS A 118 -3.715 11.413 -0.611 1.00 12.05 C ATOM 1933 CE LYS A 118 -4.691 12.512 -1.068 1.00 43.23 C ATOM 1934 NZ LYS A 118 -5.837 11.961 -1.839 1.00 70.51 N ATOM 0 H LYS A 118 -0.341 11.125 -2.420 1.00 51.22 H new ATOM 0 HA LYS A 118 -1.249 10.731 0.267 1.00 30.31 H new ATOM 0 HB2 LYS A 118 -1.669 9.089 -2.267 1.00 41.21 H new ATOM 0 HB3 LYS A 118 -2.517 8.821 -0.756 1.00 41.21 H new ATOM 0 HG2 LYS A 118 -2.696 11.305 -2.520 1.00 5.14 H new ATOM 0 HG3 LYS A 118 -3.936 10.085 -2.308 1.00 5.14 H new ATOM 0 HD2 LYS A 118 -4.231 10.731 0.065 1.00 12.05 H new ATOM 0 HD3 LYS A 118 -2.901 11.867 -0.046 1.00 12.05 H new ATOM 0 HE2 LYS A 118 -5.066 13.048 -0.196 1.00 43.23 H new ATOM 0 HE3 LYS A 118 -4.157 13.237 -1.682 1.00 43.23 H new ATOM 0 HZ1 LYS A 118 -6.440 12.741 -2.169 1.00 70.51 H new ATOM 0 HZ2 LYS A 118 -5.480 11.428 -2.658 1.00 70.51 H new ATOM 0 HZ3 LYS A 118 -6.393 11.328 -1.230 1.00 70.51 H new ATOM 1948 N LEU A 119 1.141 8.826 -0.871 1.00 12.33 N ATOM 1949 CA LEU A 119 2.216 7.918 -0.472 1.00 14.33 C ATOM 1950 C LEU A 119 2.985 8.492 0.716 1.00 11.33 C ATOM 1951 O LEU A 119 3.265 7.776 1.683 1.00 34.22 O ATOM 1952 CB LEU A 119 3.161 7.640 -1.651 1.00 35.33 C ATOM 1953 CG LEU A 119 4.338 6.662 -1.359 1.00 4.42 C ATOM 1954 CD1 LEU A 119 3.835 5.263 -0.938 1.00 65.34 C ATOM 1955 CD2 LEU A 119 5.267 6.580 -2.566 1.00 21.44 C ATOM 0 H LEU A 119 1.273 9.237 -1.795 1.00 12.33 H new ATOM 0 HA LEU A 119 1.771 6.971 -0.167 1.00 14.33 H new ATOM 0 HB2 LEU A 119 2.574 7.236 -2.476 1.00 35.33 H new ATOM 0 HB3 LEU A 119 3.577 8.589 -1.990 1.00 35.33 H new ATOM 0 HG LEU A 119 4.902 7.058 -0.515 1.00 4.42 H new ATOM 0 HD11 LEU A 119 4.688 4.613 -0.744 1.00 65.34 H new ATOM 0 HD12 LEU A 119 3.232 5.350 -0.034 1.00 65.34 H new ATOM 0 HD13 LEU A 119 3.230 4.838 -1.739 1.00 65.34 H new ATOM 0 HD21 LEU A 119 6.085 5.893 -2.349 1.00 21.44 H new ATOM 0 HD22 LEU A 119 4.710 6.219 -3.430 1.00 21.44 H new ATOM 0 HD23 LEU A 119 5.671 7.569 -2.782 1.00 21.44 H new ATOM 1967 N LYS A 120 3.304 9.794 0.634 1.00 43.41 N ATOM 1968 CA LYS A 120 3.921 10.529 1.745 1.00 71.20 C ATOM 1969 C LYS A 120 3.010 10.522 2.978 1.00 42.44 C ATOM 1970 O LYS A 120 3.501 10.339 4.082 1.00 42.42 O ATOM 1971 CB LYS A 120 4.247 11.981 1.349 1.00 73.31 C ATOM 1972 CG LYS A 120 5.472 12.147 0.430 1.00 44.11 C ATOM 1973 CD LYS A 120 5.823 13.637 0.146 1.00 25.21 C ATOM 1974 CE LYS A 120 6.248 14.439 1.409 1.00 31.25 C ATOM 1975 NZ LYS A 120 5.115 14.760 2.341 1.00 65.54 N ATOM 0 H LYS A 120 3.142 10.361 -0.198 1.00 43.41 H new ATOM 0 HA LYS A 120 4.854 10.020 1.989 1.00 71.20 H new ATOM 0 HB2 LYS A 120 3.377 12.410 0.851 1.00 73.31 H new ATOM 0 HB3 LYS A 120 4.412 12.561 2.257 1.00 73.31 H new ATOM 0 HG2 LYS A 120 6.332 11.658 0.888 1.00 44.11 H new ATOM 0 HG3 LYS A 120 5.282 11.638 -0.515 1.00 44.11 H new ATOM 0 HD2 LYS A 120 6.630 13.676 -0.585 1.00 25.21 H new ATOM 0 HD3 LYS A 120 4.959 14.123 -0.307 1.00 25.21 H new ATOM 0 HE2 LYS A 120 7.001 13.868 1.953 1.00 31.25 H new ATOM 0 HE3 LYS A 120 6.720 15.370 1.094 1.00 31.25 H new ATOM 0 HZ1 LYS A 120 5.093 15.784 2.520 1.00 65.54 H new ATOM 0 HZ2 LYS A 120 4.216 14.464 1.909 1.00 65.54 H new ATOM 0 HZ3 LYS A 120 5.251 14.254 3.239 1.00 65.54 H new ATOM 1989 N GLU A 121 1.684 10.695 2.762 1.00 12.13 N ATOM 1990 CA GLU A 121 0.687 10.688 3.850 1.00 41.15 C ATOM 1991 C GLU A 121 0.754 9.367 4.621 1.00 61.11 C ATOM 1992 O GLU A 121 0.704 9.362 5.836 1.00 53.43 O ATOM 1993 CB GLU A 121 -0.754 10.908 3.318 1.00 42.55 C ATOM 1994 CG GLU A 121 -0.983 12.212 2.533 1.00 70.10 C ATOM 1995 CD GLU A 121 -0.760 13.490 3.353 1.00 40.25 C ATOM 1996 OE1 GLU A 121 0.406 13.860 3.601 1.00 12.32 O ATOM 1997 OE2 GLU A 121 -1.758 14.149 3.737 1.00 44.04 O ATOM 0 H GLU A 121 1.282 10.842 1.836 1.00 12.13 H new ATOM 0 HA GLU A 121 0.929 11.516 4.516 1.00 41.15 H new ATOM 0 HB2 GLU A 121 -1.017 10.068 2.675 1.00 42.55 H new ATOM 0 HB3 GLU A 121 -1.441 10.889 4.164 1.00 42.55 H new ATOM 0 HG2 GLU A 121 -0.315 12.226 1.672 1.00 70.10 H new ATOM 0 HG3 GLU A 121 -2.002 12.215 2.146 1.00 70.10 H new ATOM 2004 N ALA A 122 0.902 8.263 3.873 1.00 23.34 N ATOM 2005 CA ALA A 122 1.024 6.914 4.432 1.00 32.40 C ATOM 2006 C ALA A 122 2.285 6.770 5.292 1.00 50.33 C ATOM 2007 O ALA A 122 2.235 6.209 6.381 1.00 50.32 O ATOM 2008 CB ALA A 122 1.056 5.892 3.304 1.00 32.03 C ATOM 0 H ALA A 122 0.940 8.285 2.854 1.00 23.34 H new ATOM 0 HA ALA A 122 0.159 6.737 5.071 1.00 32.40 H new ATOM 0 HB1 ALA A 122 1.147 4.890 3.723 1.00 32.03 H new ATOM 0 HB2 ALA A 122 0.135 5.961 2.724 1.00 32.03 H new ATOM 0 HB3 ALA A 122 1.909 6.093 2.655 1.00 32.03 H new ATOM 2014 N LEU A 123 3.408 7.300 4.771 1.00 13.15 N ATOM 2015 CA LEU A 123 4.738 7.215 5.409 1.00 45.22 C ATOM 2016 C LEU A 123 4.804 8.076 6.689 1.00 63.55 C ATOM 2017 O LEU A 123 5.451 7.711 7.674 1.00 75.21 O ATOM 2018 CB LEU A 123 5.823 7.626 4.371 1.00 22.35 C ATOM 2019 CG LEU A 123 5.959 6.647 3.158 1.00 12.35 C ATOM 2020 CD1 LEU A 123 6.921 7.185 2.079 1.00 53.51 C ATOM 2021 CD2 LEU A 123 6.378 5.242 3.630 1.00 33.24 C ATOM 0 H LEU A 123 3.419 7.805 3.885 1.00 13.15 H new ATOM 0 HA LEU A 123 4.925 6.188 5.724 1.00 45.22 H new ATOM 0 HB2 LEU A 123 5.590 8.622 3.994 1.00 22.35 H new ATOM 0 HB3 LEU A 123 6.786 7.694 4.877 1.00 22.35 H new ATOM 0 HG LEU A 123 4.976 6.571 2.693 1.00 12.35 H new ATOM 0 HD11 LEU A 123 6.983 6.471 1.258 1.00 53.51 H new ATOM 0 HD12 LEU A 123 6.550 8.139 1.704 1.00 53.51 H new ATOM 0 HD13 LEU A 123 7.911 7.326 2.512 1.00 53.51 H new ATOM 0 HD21 LEU A 123 6.466 4.580 2.769 1.00 33.24 H new ATOM 0 HD22 LEU A 123 7.339 5.301 4.141 1.00 33.24 H new ATOM 0 HD23 LEU A 123 5.626 4.849 4.315 1.00 33.24 H new ATOM 2033 N GLU A 124 4.125 9.217 6.642 1.00 44.30 N ATOM 2034 CA GLU A 124 4.015 10.163 7.757 1.00 32.40 C ATOM 2035 C GLU A 124 2.965 9.684 8.806 1.00 32.25 C ATOM 2036 O GLU A 124 3.090 9.980 9.997 1.00 25.43 O ATOM 2037 CB GLU A 124 3.724 11.573 7.162 1.00 13.24 C ATOM 2038 CG GLU A 124 4.918 12.120 6.321 1.00 52.43 C ATOM 2039 CD GLU A 124 4.609 13.336 5.421 1.00 55.11 C ATOM 2040 OE1 GLU A 124 3.518 13.392 4.814 1.00 23.31 O ATOM 2041 OE2 GLU A 124 5.489 14.219 5.272 1.00 63.42 O ATOM 0 H GLU A 124 3.622 9.521 5.809 1.00 44.30 H new ATOM 0 HA GLU A 124 4.949 10.219 8.316 1.00 32.40 H new ATOM 0 HB2 GLU A 124 2.834 11.523 6.535 1.00 13.24 H new ATOM 0 HB3 GLU A 124 3.505 12.268 7.972 1.00 13.24 H new ATOM 0 HG2 GLU A 124 5.723 12.393 7.004 1.00 52.43 H new ATOM 0 HG3 GLU A 124 5.294 11.313 5.692 1.00 52.43 H new ATOM 2048 N LYS A 125 1.938 8.929 8.352 1.00 2.11 N ATOM 2049 CA LYS A 125 0.928 8.281 9.245 1.00 72.31 C ATOM 2050 C LYS A 125 1.470 6.974 9.851 1.00 0.25 C ATOM 2051 O LYS A 125 0.957 6.501 10.872 1.00 25.04 O ATOM 2052 CB LYS A 125 -0.401 7.997 8.473 1.00 12.35 C ATOM 2053 CG LYS A 125 -1.251 9.262 8.163 1.00 12.52 C ATOM 2054 CD LYS A 125 -2.198 9.681 9.309 1.00 23.24 C ATOM 2055 CE LYS A 125 -3.450 8.793 9.391 1.00 54.43 C ATOM 2056 NZ LYS A 125 -4.252 8.853 8.134 1.00 34.31 N ATOM 0 H LYS A 125 1.779 8.747 7.361 1.00 2.11 H new ATOM 0 HA LYS A 125 0.722 8.978 10.058 1.00 72.31 H new ATOM 0 HB2 LYS A 125 -0.161 7.497 7.534 1.00 12.35 H new ATOM 0 HB3 LYS A 125 -1.005 7.304 9.058 1.00 12.35 H new ATOM 0 HG2 LYS A 125 -0.580 10.091 7.939 1.00 12.52 H new ATOM 0 HG3 LYS A 125 -1.842 9.079 7.266 1.00 12.52 H new ATOM 0 HD2 LYS A 125 -1.660 9.634 10.256 1.00 23.24 H new ATOM 0 HD3 LYS A 125 -2.501 10.718 9.165 1.00 23.24 H new ATOM 0 HE2 LYS A 125 -3.153 7.762 9.584 1.00 54.43 H new ATOM 0 HE3 LYS A 125 -4.067 9.110 10.232 1.00 54.43 H new ATOM 0 HZ1 LYS A 125 -5.187 8.428 8.298 1.00 34.31 H new ATOM 0 HZ2 LYS A 125 -4.369 9.845 7.844 1.00 34.31 H new ATOM 0 HZ3 LYS A 125 -3.760 8.328 7.383 1.00 34.31 H new ATOM 2070 N SER A 126 2.498 6.391 9.209 1.00 4.53 N ATOM 2071 CA SER A 126 3.153 5.164 9.692 1.00 21.22 C ATOM 2072 C SER A 126 4.354 5.520 10.579 1.00 40.03 C ATOM 2073 O SER A 126 4.580 6.701 10.886 1.00 51.10 O ATOM 2074 CB SER A 126 3.593 4.296 8.495 1.00 2.13 C ATOM 2075 OG SER A 126 4.556 4.934 7.690 1.00 72.35 O ATOM 0 H SER A 126 2.896 6.756 8.344 1.00 4.53 H new ATOM 0 HA SER A 126 2.444 4.592 10.291 1.00 21.22 H new ATOM 0 HB2 SER A 126 3.999 3.354 8.864 1.00 2.13 H new ATOM 0 HB3 SER A 126 2.721 4.052 7.888 1.00 2.13 H new ATOM 0 HG SER A 126 4.663 5.863 7.982 1.00 72.35 H new ATOM 2081 N GLY A 127 5.136 4.496 10.974 1.00 41.43 N ATOM 2082 CA GLY A 127 6.296 4.684 11.840 1.00 22.33 C ATOM 2083 C GLY A 127 7.563 5.098 11.087 1.00 54.01 C ATOM 2084 O GLY A 127 8.616 4.485 11.266 1.00 21.13 O ATOM 0 H GLY A 127 4.976 3.527 10.700 1.00 41.43 H new ATOM 0 HA2 GLY A 127 6.062 5.443 12.586 1.00 22.33 H new ATOM 0 HA3 GLY A 127 6.490 3.757 12.379 1.00 22.33 H new ATOM 2088 N SER A 128 7.459 6.126 10.227 1.00 21.33 N ATOM 2089 CA SER A 128 8.625 6.717 9.540 1.00 12.32 C ATOM 2090 C SER A 128 8.764 8.182 9.986 1.00 12.43 C ATOM 2091 O SER A 128 9.646 8.522 10.783 1.00 3.32 O ATOM 2092 CB SER A 128 8.462 6.622 8.001 1.00 73.23 C ATOM 2093 OG SER A 128 8.094 5.324 7.610 1.00 53.11 O ATOM 0 H SER A 128 6.572 6.569 9.988 1.00 21.33 H new ATOM 0 HA SER A 128 9.527 6.166 9.806 1.00 12.32 H new ATOM 0 HB2 SER A 128 7.706 7.333 7.668 1.00 73.23 H new ATOM 0 HB3 SER A 128 9.397 6.900 7.515 1.00 73.23 H new ATOM 0 HG SER A 128 7.692 5.353 6.717 1.00 53.11 H new