USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 606 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 79 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 81 SER OG : rot 180:sc= 0.0246 USER MOD Single : A 59 MET CE :methyl -169:sc= 0 (180deg=-0.0111) USER MOD Single : A 60 THR OG1 : rot 100:sc= -1.44! USER MOD Single : A 63 MET CE :methyl -158:sc= -0.146 (180deg=-0.696) USER MOD Single : A 65 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 67 LYS NZ :NH3+ -169:sc= 1.18 (180deg=0.824) USER MOD Single : A 68 GLN : amide:sc= -0.927 K(o=-0.93,f=0) USER MOD Single : A 70 SER OG : rot -114:sc= 1.23 USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= -0.0586 (180deg=-0.346) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot -85:sc= 1.27 USER MOD Single : A 75 LYS NZ :NH3+ 166:sc= -0.0243 (180deg=-0.139) USER MOD Single : A 76 MET CE :methyl -149:sc= -0.001 (180deg=-1.52!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 70:sc= 1.28 USER MOD Single : A 84 THR OG1 : rot -110:sc= 1.23 USER MOD Single : A 92 SER OG : rot -73:sc= 0.174 USER MOD Single : A 94 SER OG : rot 90:sc= 0.907 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -119:sc= 0.99 USER MOD Single : A 103 MET CE :methyl -171:sc= -1.21 (180deg=-1.59) USER MOD Single : A 108 LYS NZ :NH3+ -106:sc= 0.0475 (180deg=-1.13!) USER MOD Single : A 109 THR OG1 : rot -130:sc= -1.44 USER MOD Single : A 111 SER OG : rot 103:sc= 1.28 USER MOD Single : A 113 HIS : no HD1:sc=-0.00171 X(o=-0.0017,f=0) USER MOD Single : A 115 MET CE :methyl -146:sc= -0.929 (180deg=-3.7!) USER MOD Single : A 117 GLN : amide:sc= -0.705 K(o=-0.7,f=0) USER MOD Single : A 120 HIS : no HD1:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 147:sc= 0 (180deg=-0.00776) USER MOD ----------------------------------------------------------------- ATOM 16 N MET A 59 10.068 5.036 2.821 1.00 0.25 N ATOM 17 CA MET A 59 8.917 4.393 2.171 1.00 0.17 C ATOM 18 C MET A 59 8.116 5.326 1.260 1.00 0.20 C ATOM 19 O MET A 59 7.842 6.467 1.600 1.00 0.29 O ATOM 20 CB MET A 59 7.990 3.785 3.231 1.00 0.16 C ATOM 21 CG MET A 59 7.910 4.587 4.536 1.00 0.25 C ATOM 22 SD MET A 59 6.805 3.824 5.747 1.00 0.75 S ATOM 23 CE MET A 59 6.968 4.937 7.139 1.00 0.59 C ATOM 0 HA MET A 59 9.329 3.615 1.528 1.00 0.17 H new ATOM 0 HB2 MET A 59 6.988 3.695 2.812 1.00 0.16 H new ATOM 0 HB3 MET A 59 8.332 2.775 3.459 1.00 0.16 H new ATOM 0 HG2 MET A 59 8.908 4.678 4.965 1.00 0.25 H new ATOM 0 HG3 MET A 59 7.564 5.597 4.318 1.00 0.25 H new ATOM 0 HE1 MET A 59 6.502 4.491 8.018 1.00 0.59 H new ATOM 0 HE2 MET A 59 8.024 5.116 7.340 1.00 0.59 H new ATOM 0 HE3 MET A 59 6.477 5.883 6.908 1.00 0.59 H new ATOM 33 N THR A 60 7.743 4.796 0.097 1.00 0.19 N ATOM 34 CA THR A 60 6.939 5.506 -0.892 1.00 0.22 C ATOM 35 C THR A 60 5.454 5.201 -0.721 1.00 0.18 C ATOM 36 O THR A 60 5.040 4.052 -0.731 1.00 0.17 O ATOM 37 CB THR A 60 7.372 5.127 -2.320 1.00 0.29 C ATOM 38 OG1 THR A 60 8.730 5.526 -2.521 1.00 0.37 O ATOM 39 CG2 THR A 60 6.470 5.779 -3.364 1.00 0.34 C ATOM 0 H THR A 60 7.995 3.849 -0.187 1.00 0.19 H new ATOM 0 HA THR A 60 7.100 6.572 -0.735 1.00 0.22 H new ATOM 0 HB THR A 60 7.284 4.047 -2.437 1.00 0.29 H new ATOM 0 HG1 THR A 60 9.318 4.750 -2.414 1.00 0.37 H new ATOM 0 HG21 THR A 60 6.802 5.492 -4.362 1.00 0.34 H new ATOM 0 HG22 THR A 60 5.442 5.448 -3.214 1.00 0.34 H new ATOM 0 HG23 THR A 60 6.521 6.863 -3.263 1.00 0.34 H new ATOM 47 N ARG A 61 4.670 6.248 -0.599 1.00 0.20 N ATOM 48 CA ARG A 61 3.262 6.137 -0.264 1.00 0.18 C ATOM 49 C ARG A 61 2.387 6.095 -1.523 1.00 0.17 C ATOM 50 O ARG A 61 2.418 7.017 -2.336 1.00 0.18 O ATOM 51 CB ARG A 61 2.906 7.333 0.609 1.00 0.22 C ATOM 52 CG ARG A 61 1.929 7.043 1.726 1.00 0.33 C ATOM 53 CD ARG A 61 1.966 8.169 2.751 1.00 0.42 C ATOM 54 NE ARG A 61 1.375 7.789 4.035 1.00 0.84 N ATOM 55 CZ ARG A 61 1.109 8.656 5.016 1.00 1.13 C ATOM 56 NH1 ARG A 61 1.390 9.942 4.869 1.00 1.32 N ATOM 57 NH2 ARG A 61 0.591 8.227 6.157 1.00 1.91 N ATOM 0 H ARG A 61 4.990 7.208 -0.729 1.00 0.20 H new ATOM 0 HA ARG A 61 3.077 5.205 0.270 1.00 0.18 H new ATOM 0 HB2 ARG A 61 3.823 7.732 1.043 1.00 0.22 H new ATOM 0 HB3 ARG A 61 2.487 8.114 -0.025 1.00 0.22 H new ATOM 0 HG2 ARG A 61 0.922 6.940 1.322 1.00 0.33 H new ATOM 0 HG3 ARG A 61 2.180 6.096 2.204 1.00 0.33 H new ATOM 0 HD2 ARG A 61 3.000 8.476 2.909 1.00 0.42 H new ATOM 0 HD3 ARG A 61 1.434 9.033 2.353 1.00 0.42 H new ATOM 0 HE ARG A 61 1.153 6.805 4.190 1.00 0.84 H new ATOM 0 HH11 ARG A 61 1.812 10.276 4.003 1.00 1.32 H new ATOM 0 HH12 ARG A 61 1.184 10.598 5.622 1.00 1.32 H new ATOM 0 HH21 ARG A 61 0.395 7.234 6.287 1.00 1.91 H new ATOM 0 HH22 ARG A 61 0.388 8.889 6.906 1.00 1.91 H new ATOM 71 N LEU A 62 1.650 4.999 -1.693 1.00 0.16 N ATOM 72 CA LEU A 62 0.673 4.867 -2.780 1.00 0.15 C ATOM 73 C LEU A 62 -0.741 4.923 -2.221 1.00 0.12 C ATOM 74 O LEU A 62 -1.095 4.118 -1.362 1.00 0.20 O ATOM 75 CB LEU A 62 0.836 3.540 -3.562 1.00 0.23 C ATOM 76 CG LEU A 62 1.866 2.549 -3.033 1.00 0.20 C ATOM 77 CD1 LEU A 62 1.668 1.210 -3.704 1.00 0.28 C ATOM 78 CD2 LEU A 62 3.288 3.039 -3.276 1.00 0.32 C ATOM 0 H LEU A 62 1.710 4.181 -1.087 1.00 0.16 H new ATOM 0 HA LEU A 62 0.853 5.696 -3.465 1.00 0.15 H new ATOM 0 HB2 LEU A 62 -0.133 3.041 -3.588 1.00 0.23 H new ATOM 0 HB3 LEU A 62 1.097 3.783 -4.592 1.00 0.23 H new ATOM 0 HG LEU A 62 1.723 2.452 -1.957 1.00 0.20 H new ATOM 0 HD11 LEU A 62 2.405 0.501 -3.326 1.00 0.28 H new ATOM 0 HD12 LEU A 62 0.665 0.840 -3.490 1.00 0.28 H new ATOM 0 HD13 LEU A 62 1.791 1.321 -4.781 1.00 0.28 H new ATOM 0 HD21 LEU A 62 3.996 2.308 -2.886 1.00 0.32 H new ATOM 0 HD22 LEU A 62 3.451 3.167 -4.346 1.00 0.32 H new ATOM 0 HD23 LEU A 62 3.436 3.993 -2.770 1.00 0.32 H new ATOM 90 N MET A 63 -1.545 5.868 -2.691 1.00 0.10 N ATOM 91 CA MET A 63 -2.933 5.951 -2.257 1.00 0.13 C ATOM 92 C MET A 63 -3.788 4.887 -2.935 1.00 0.18 C ATOM 93 O MET A 63 -3.834 4.778 -4.163 1.00 0.39 O ATOM 94 CB MET A 63 -3.534 7.341 -2.507 1.00 0.18 C ATOM 95 CG MET A 63 -3.710 7.694 -3.979 1.00 0.29 C ATOM 96 SD MET A 63 -4.571 9.264 -4.231 1.00 1.09 S ATOM 97 CE MET A 63 -6.188 8.879 -3.561 1.00 1.80 C ATOM 0 H MET A 63 -1.264 6.580 -3.365 1.00 0.10 H new ATOM 0 HA MET A 63 -2.933 5.772 -1.182 1.00 0.13 H new ATOM 0 HB2 MET A 63 -4.504 7.398 -2.013 1.00 0.18 H new ATOM 0 HB3 MET A 63 -2.894 8.090 -2.040 1.00 0.18 H new ATOM 0 HG2 MET A 63 -2.731 7.743 -4.455 1.00 0.29 H new ATOM 0 HG3 MET A 63 -4.266 6.898 -4.474 1.00 0.29 H new ATOM 0 HE1 MET A 63 -6.927 9.564 -3.977 1.00 1.80 H new ATOM 0 HE2 MET A 63 -6.455 7.855 -3.822 1.00 1.80 H new ATOM 0 HE3 MET A 63 -6.167 8.983 -2.476 1.00 1.80 H new ATOM 107 N VAL A 64 -4.426 4.085 -2.112 1.00 0.11 N ATOM 108 CA VAL A 64 -5.400 3.114 -2.559 1.00 0.11 C ATOM 109 C VAL A 64 -6.791 3.622 -2.198 1.00 0.16 C ATOM 110 O VAL A 64 -6.932 4.361 -1.236 1.00 0.42 O ATOM 111 CB VAL A 64 -5.149 1.753 -1.874 1.00 0.14 C ATOM 112 CG1 VAL A 64 -6.187 0.732 -2.284 1.00 0.17 C ATOM 113 CG2 VAL A 64 -3.756 1.235 -2.185 1.00 0.18 C ATOM 0 H VAL A 64 -4.282 4.089 -1.102 1.00 0.11 H new ATOM 0 HA VAL A 64 -5.317 2.980 -3.637 1.00 0.11 H new ATOM 0 HB VAL A 64 -5.229 1.911 -0.798 1.00 0.14 H new ATOM 0 HG11 VAL A 64 -5.983 -0.215 -1.785 1.00 0.17 H new ATOM 0 HG12 VAL A 64 -7.178 1.086 -1.999 1.00 0.17 H new ATOM 0 HG13 VAL A 64 -6.150 0.589 -3.364 1.00 0.17 H new ATOM 0 HG21 VAL A 64 -3.606 0.275 -1.690 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -3.647 1.109 -3.262 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -3.014 1.948 -1.826 1.00 0.18 H new ATOM 123 N THR A 65 -7.801 3.281 -2.977 1.00 0.19 N ATOM 124 CA THR A 65 -9.161 3.642 -2.612 1.00 0.19 C ATOM 125 C THR A 65 -10.067 2.421 -2.516 1.00 0.20 C ATOM 126 O THR A 65 -10.132 1.601 -3.430 1.00 0.24 O ATOM 127 CB THR A 65 -9.768 4.667 -3.583 1.00 0.22 C ATOM 128 OG1 THR A 65 -9.370 4.376 -4.930 1.00 0.29 O ATOM 129 CG2 THR A 65 -9.347 6.078 -3.203 1.00 0.25 C ATOM 0 H THR A 65 -7.711 2.764 -3.852 1.00 0.19 H new ATOM 0 HA THR A 65 -9.096 4.102 -1.626 1.00 0.19 H new ATOM 0 HB THR A 65 -10.854 4.601 -3.517 1.00 0.22 H new ATOM 0 HG1 THR A 65 -9.765 5.036 -5.538 1.00 0.29 H new ATOM 0 HG21 THR A 65 -9.787 6.790 -3.902 1.00 0.25 H new ATOM 0 HG22 THR A 65 -9.692 6.301 -2.193 1.00 0.25 H new ATOM 0 HG23 THR A 65 -8.260 6.156 -3.241 1.00 0.25 H new ATOM 137 N GLU A 66 -10.765 2.315 -1.400 1.00 0.20 N ATOM 138 CA GLU A 66 -11.677 1.221 -1.158 1.00 0.22 C ATOM 139 C GLU A 66 -13.119 1.653 -1.432 1.00 0.24 C ATOM 140 O GLU A 66 -13.660 2.520 -0.749 1.00 0.31 O ATOM 141 CB GLU A 66 -11.541 0.719 0.279 1.00 0.25 C ATOM 142 CG GLU A 66 -10.148 0.221 0.629 1.00 0.35 C ATOM 143 CD GLU A 66 -9.181 1.341 0.951 1.00 0.54 C ATOM 144 OE1 GLU A 66 -9.348 1.979 2.010 1.00 0.79 O ATOM 145 OE2 GLU A 66 -8.253 1.582 0.154 1.00 0.92 O ATOM 0 H GLU A 66 -10.713 2.989 -0.636 1.00 0.20 H new ATOM 0 HA GLU A 66 -11.423 0.407 -1.837 1.00 0.22 H new ATOM 0 HB2 GLU A 66 -11.810 1.525 0.962 1.00 0.25 H new ATOM 0 HB3 GLU A 66 -12.256 -0.088 0.441 1.00 0.25 H new ATOM 0 HG2 GLU A 66 -10.213 -0.452 1.484 1.00 0.35 H new ATOM 0 HG3 GLU A 66 -9.756 -0.361 -0.205 1.00 0.35 H new ATOM 152 N LYS A 67 -13.728 1.048 -2.446 1.00 0.23 N ATOM 153 CA LYS A 67 -15.115 1.336 -2.823 1.00 0.26 C ATOM 154 C LYS A 67 -15.659 0.161 -3.611 1.00 0.26 C ATOM 155 O LYS A 67 -14.960 -0.811 -3.754 1.00 0.27 O ATOM 156 CB LYS A 67 -15.214 2.633 -3.651 1.00 0.32 C ATOM 157 CG LYS A 67 -14.353 2.640 -4.916 1.00 0.36 C ATOM 158 CD LYS A 67 -12.909 3.024 -4.619 1.00 0.34 C ATOM 159 CE LYS A 67 -11.977 2.709 -5.784 1.00 0.53 C ATOM 160 NZ LYS A 67 -12.300 3.492 -7.005 1.00 0.93 N ATOM 0 H LYS A 67 -13.278 0.344 -3.032 1.00 0.23 H new ATOM 0 HA LYS A 67 -15.706 1.484 -1.919 1.00 0.26 H new ATOM 0 HB2 LYS A 67 -16.255 2.791 -3.933 1.00 0.32 H new ATOM 0 HB3 LYS A 67 -14.922 3.475 -3.023 1.00 0.32 H new ATOM 0 HG2 LYS A 67 -14.378 1.653 -5.378 1.00 0.36 H new ATOM 0 HG3 LYS A 67 -14.774 3.340 -5.638 1.00 0.36 H new ATOM 0 HD2 LYS A 67 -12.857 4.089 -4.393 1.00 0.34 H new ATOM 0 HD3 LYS A 67 -12.569 2.492 -3.730 1.00 0.34 H new ATOM 0 HE2 LYS A 67 -10.949 2.915 -5.487 1.00 0.53 H new ATOM 0 HE3 LYS A 67 -12.036 1.645 -6.014 1.00 0.53 H new ATOM 0 HZ1 LYS A 67 -11.766 3.112 -7.813 1.00 0.93 H new ATOM 0 HZ2 LYS A 67 -13.319 3.425 -7.201 1.00 0.93 H new ATOM 0 HZ3 LYS A 67 -12.041 4.488 -6.857 1.00 0.93 H new ATOM 174 N GLN A 68 -16.876 0.241 -4.145 1.00 0.33 N ATOM 175 CA GLN A 68 -17.478 -0.909 -4.845 1.00 0.41 C ATOM 176 C GLN A 68 -16.495 -1.521 -5.858 1.00 0.42 C ATOM 177 O GLN A 68 -16.562 -2.705 -6.180 1.00 0.53 O ATOM 178 CB GLN A 68 -18.772 -0.494 -5.550 1.00 0.49 C ATOM 179 CG GLN A 68 -19.554 -1.669 -6.117 1.00 1.52 C ATOM 180 CD GLN A 68 -20.834 -1.249 -6.812 1.00 2.26 C ATOM 181 OE1 GLN A 68 -21.819 -1.987 -6.816 1.00 2.79 O ATOM 182 NE2 GLN A 68 -20.829 -0.074 -7.417 1.00 3.05 N ATOM 0 H GLN A 68 -17.463 1.074 -4.112 1.00 0.33 H new ATOM 0 HA GLN A 68 -17.712 -1.667 -4.097 1.00 0.41 H new ATOM 0 HB2 GLN A 68 -19.404 0.047 -4.845 1.00 0.49 H new ATOM 0 HB3 GLN A 68 -18.531 0.197 -6.358 1.00 0.49 H new ATOM 0 HG2 GLN A 68 -18.924 -2.210 -6.823 1.00 1.52 H new ATOM 0 HG3 GLN A 68 -19.795 -2.361 -5.310 1.00 1.52 H new ATOM 0 HE21 GLN A 68 -19.993 0.509 -7.391 1.00 3.05 H new ATOM 0 HE22 GLN A 68 -21.661 0.250 -7.910 1.00 3.05 H new ATOM 191 N GLU A 69 -15.581 -0.689 -6.328 1.00 0.36 N ATOM 192 CA GLU A 69 -14.494 -1.100 -7.198 1.00 0.40 C ATOM 193 C GLU A 69 -13.423 -1.907 -6.442 1.00 0.33 C ATOM 194 O GLU A 69 -13.177 -3.072 -6.752 1.00 0.39 O ATOM 195 CB GLU A 69 -13.882 0.165 -7.781 1.00 0.45 C ATOM 196 CG GLU A 69 -12.865 -0.047 -8.884 1.00 1.10 C ATOM 197 CD GLU A 69 -12.444 1.273 -9.493 1.00 1.52 C ATOM 198 OE1 GLU A 69 -13.078 1.711 -10.475 1.00 1.63 O ATOM 199 OE2 GLU A 69 -11.438 1.850 -9.031 1.00 2.34 O ATOM 0 H GLU A 69 -15.574 0.308 -6.112 1.00 0.36 H new ATOM 0 HA GLU A 69 -14.880 -1.753 -7.980 1.00 0.40 H new ATOM 0 HB2 GLU A 69 -14.686 0.791 -8.168 1.00 0.45 H new ATOM 0 HB3 GLU A 69 -13.405 0.722 -6.974 1.00 0.45 H new ATOM 0 HG2 GLU A 69 -11.992 -0.562 -8.484 1.00 1.10 H new ATOM 0 HG3 GLU A 69 -13.289 -0.689 -9.656 1.00 1.10 H new ATOM 206 N SER A 70 -12.809 -1.292 -5.429 1.00 0.27 N ATOM 207 CA SER A 70 -11.644 -1.878 -4.765 1.00 0.22 C ATOM 208 C SER A 70 -11.878 -2.103 -3.268 1.00 0.17 C ATOM 209 O SER A 70 -10.930 -2.193 -2.494 1.00 0.16 O ATOM 210 CB SER A 70 -10.445 -0.951 -4.944 1.00 0.26 C ATOM 211 OG SER A 70 -10.413 -0.411 -6.254 1.00 0.59 O ATOM 0 H SER A 70 -13.099 -0.390 -5.051 1.00 0.27 H new ATOM 0 HA SER A 70 -11.460 -2.850 -5.223 1.00 0.22 H new ATOM 0 HB2 SER A 70 -10.493 -0.143 -4.214 1.00 0.26 H new ATOM 0 HB3 SER A 70 -9.524 -1.500 -4.750 1.00 0.26 H new ATOM 0 HG SER A 70 -9.625 -0.750 -6.728 1.00 0.59 H new ATOM 217 N LYS A 71 -13.137 -2.190 -2.864 1.00 0.19 N ATOM 218 CA LYS A 71 -13.504 -2.343 -1.458 1.00 0.20 C ATOM 219 C LYS A 71 -12.954 -3.646 -0.887 1.00 0.19 C ATOM 220 O LYS A 71 -12.827 -3.800 0.327 1.00 0.22 O ATOM 221 CB LYS A 71 -15.032 -2.289 -1.314 1.00 0.32 C ATOM 222 CG LYS A 71 -15.541 -1.911 0.070 1.00 0.59 C ATOM 223 CD LYS A 71 -14.770 -0.752 0.678 1.00 0.42 C ATOM 224 CE LYS A 71 -15.420 -0.259 1.964 1.00 1.12 C ATOM 225 NZ LYS A 71 -16.783 0.291 1.727 1.00 1.70 N ATOM 0 H LYS A 71 -13.935 -2.157 -3.499 1.00 0.19 H new ATOM 0 HA LYS A 71 -13.064 -1.523 -0.891 1.00 0.20 H new ATOM 0 HB2 LYS A 71 -15.424 -1.572 -2.036 1.00 0.32 H new ATOM 0 HB3 LYS A 71 -15.440 -3.264 -1.580 1.00 0.32 H new ATOM 0 HG2 LYS A 71 -16.597 -1.647 0.005 1.00 0.59 H new ATOM 0 HG3 LYS A 71 -15.469 -2.776 0.729 1.00 0.59 H new ATOM 0 HD2 LYS A 71 -13.746 -1.064 0.884 1.00 0.42 H new ATOM 0 HD3 LYS A 71 -14.716 0.066 -0.040 1.00 0.42 H new ATOM 0 HE2 LYS A 71 -15.480 -1.081 2.678 1.00 1.12 H new ATOM 0 HE3 LYS A 71 -14.793 0.510 2.415 1.00 1.12 H new ATOM 0 HZ1 LYS A 71 -17.065 0.880 2.536 1.00 1.70 H new ATOM 0 HZ2 LYS A 71 -16.779 0.869 0.863 1.00 1.70 H new ATOM 0 HZ3 LYS A 71 -17.459 -0.492 1.616 1.00 1.70 H new ATOM 239 N ASN A 72 -12.631 -4.578 -1.776 1.00 0.19 N ATOM 240 CA ASN A 72 -11.940 -5.808 -1.395 1.00 0.22 C ATOM 241 C ASN A 72 -10.657 -5.490 -0.643 1.00 0.20 C ATOM 242 O ASN A 72 -10.280 -6.186 0.299 1.00 0.27 O ATOM 243 CB ASN A 72 -11.590 -6.639 -2.629 1.00 0.26 C ATOM 244 CG ASN A 72 -12.744 -7.484 -3.130 1.00 1.15 C ATOM 245 OD1 ASN A 72 -12.936 -8.615 -2.683 1.00 2.13 O ATOM 246 ND2 ASN A 72 -13.505 -6.957 -4.074 1.00 1.62 N ATOM 0 H ASN A 72 -12.837 -4.506 -2.772 1.00 0.19 H new ATOM 0 HA ASN A 72 -12.612 -6.376 -0.752 1.00 0.22 H new ATOM 0 HB2 ASN A 72 -11.264 -5.972 -3.427 1.00 0.26 H new ATOM 0 HB3 ASN A 72 -10.748 -7.290 -2.393 1.00 0.26 H new ATOM 0 HD21 ASN A 72 -14.284 -7.491 -4.458 1.00 1.62 H new ATOM 0 HD22 ASN A 72 -13.313 -6.016 -4.418 1.00 1.62 H new ATOM 253 N PHE A 73 -10.003 -4.413 -1.054 1.00 0.16 N ATOM 254 CA PHE A 73 -8.702 -4.056 -0.522 1.00 0.14 C ATOM 255 C PHE A 73 -8.771 -3.665 0.956 1.00 0.14 C ATOM 256 O PHE A 73 -7.805 -3.872 1.692 1.00 0.14 O ATOM 257 CB PHE A 73 -8.084 -2.919 -1.340 1.00 0.14 C ATOM 258 CG PHE A 73 -6.718 -2.551 -0.858 1.00 0.13 C ATOM 259 CD1 PHE A 73 -5.602 -3.233 -1.315 1.00 0.14 C ATOM 260 CD2 PHE A 73 -6.553 -1.551 0.083 1.00 0.17 C ATOM 261 CE1 PHE A 73 -4.348 -2.916 -0.839 1.00 0.16 C ATOM 262 CE2 PHE A 73 -5.302 -1.240 0.562 1.00 0.19 C ATOM 263 CZ PHE A 73 -4.199 -1.925 0.101 1.00 0.15 C ATOM 0 H PHE A 73 -10.358 -3.769 -1.760 1.00 0.16 H new ATOM 0 HA PHE A 73 -8.069 -4.940 -0.598 1.00 0.14 H new ATOM 0 HB2 PHE A 73 -8.030 -3.216 -2.387 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -8.732 -2.044 -1.290 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -5.715 -4.018 -2.048 1.00 0.14 H new ATOM 0 HD2 PHE A 73 -7.414 -1.009 0.445 1.00 0.17 H new ATOM 0 HE1 PHE A 73 -3.482 -3.447 -1.205 1.00 0.16 H new ATOM 0 HE2 PHE A 73 -5.184 -0.459 1.299 1.00 0.19 H new ATOM 0 HZ PHE A 73 -3.217 -1.683 0.479 1.00 0.15 H new ATOM 273 N SER A 74 -9.908 -3.124 1.386 1.00 0.16 N ATOM 274 CA SER A 74 -10.050 -2.619 2.750 1.00 0.18 C ATOM 275 C SER A 74 -9.644 -3.681 3.779 1.00 0.18 C ATOM 276 O SER A 74 -8.887 -3.407 4.710 1.00 0.24 O ATOM 277 CB SER A 74 -11.484 -2.147 3.002 1.00 0.23 C ATOM 278 OG SER A 74 -12.421 -3.203 2.844 1.00 0.71 O ATOM 0 H SER A 74 -10.744 -3.024 0.811 1.00 0.16 H new ATOM 0 HA SER A 74 -9.379 -1.768 2.864 1.00 0.18 H new ATOM 0 HB2 SER A 74 -11.561 -1.740 4.010 1.00 0.23 H new ATOM 0 HB3 SER A 74 -11.727 -1.339 2.313 1.00 0.23 H new ATOM 0 HG SER A 74 -12.664 -3.286 1.898 1.00 0.71 H new ATOM 284 N LYS A 75 -10.143 -4.897 3.598 1.00 0.16 N ATOM 285 CA LYS A 75 -9.808 -5.998 4.493 1.00 0.18 C ATOM 286 C LYS A 75 -8.550 -6.730 4.038 1.00 0.15 C ATOM 287 O LYS A 75 -7.986 -7.522 4.788 1.00 0.20 O ATOM 288 CB LYS A 75 -10.971 -6.974 4.615 1.00 0.24 C ATOM 289 CG LYS A 75 -11.890 -6.685 5.794 1.00 0.76 C ATOM 290 CD LYS A 75 -12.340 -5.233 5.845 1.00 0.90 C ATOM 291 CE LYS A 75 -13.432 -5.022 6.884 1.00 1.87 C ATOM 292 NZ LYS A 75 -13.079 -5.609 8.203 1.00 2.17 N ATOM 0 H LYS A 75 -10.780 -5.146 2.841 1.00 0.16 H new ATOM 0 HA LYS A 75 -9.609 -5.567 5.474 1.00 0.18 H new ATOM 0 HB2 LYS A 75 -11.555 -6.947 3.695 1.00 0.24 H new ATOM 0 HB3 LYS A 75 -10.577 -7.985 4.712 1.00 0.24 H new ATOM 0 HG2 LYS A 75 -12.766 -7.331 5.733 1.00 0.76 H new ATOM 0 HG3 LYS A 75 -11.374 -6.934 6.721 1.00 0.76 H new ATOM 0 HD2 LYS A 75 -11.487 -4.595 6.078 1.00 0.90 H new ATOM 0 HD3 LYS A 75 -12.707 -4.930 4.864 1.00 0.90 H new ATOM 0 HE2 LYS A 75 -13.616 -3.954 7.002 1.00 1.87 H new ATOM 0 HE3 LYS A 75 -14.360 -5.468 6.527 1.00 1.87 H new ATOM 0 HZ1 LYS A 75 -13.727 -5.244 8.930 1.00 2.17 H new ATOM 0 HZ2 LYS A 75 -13.161 -6.645 8.155 1.00 2.17 H new ATOM 0 HZ3 LYS A 75 -12.102 -5.350 8.448 1.00 2.17 H new ATOM 306 N MET A 76 -8.119 -6.474 2.806 1.00 0.13 N ATOM 307 CA MET A 76 -6.889 -7.073 2.294 1.00 0.15 C ATOM 308 C MET A 76 -5.712 -6.489 3.041 1.00 0.16 C ATOM 309 O MET A 76 -4.886 -7.211 3.597 1.00 0.20 O ATOM 310 CB MET A 76 -6.717 -6.802 0.799 1.00 0.17 C ATOM 311 CG MET A 76 -5.624 -7.642 0.146 1.00 0.23 C ATOM 312 SD MET A 76 -6.104 -9.375 -0.016 1.00 0.51 S ATOM 313 CE MET A 76 -4.881 -9.957 -1.191 1.00 1.35 C ATOM 0 H MET A 76 -8.599 -5.860 2.147 1.00 0.13 H new ATOM 0 HA MET A 76 -6.944 -8.152 2.441 1.00 0.15 H new ATOM 0 HB2 MET A 76 -7.663 -6.995 0.293 1.00 0.17 H new ATOM 0 HB3 MET A 76 -6.487 -5.746 0.654 1.00 0.17 H new ATOM 0 HG2 MET A 76 -5.396 -7.236 -0.839 1.00 0.23 H new ATOM 0 HG3 MET A 76 -4.712 -7.573 0.739 1.00 0.23 H new ATOM 0 HE1 MET A 76 -5.310 -10.754 -1.798 1.00 1.35 H new ATOM 0 HE2 MET A 76 -4.576 -9.133 -1.836 1.00 1.35 H new ATOM 0 HE3 MET A 76 -4.013 -10.338 -0.654 1.00 1.35 H new ATOM 323 N ALA A 77 -5.666 -5.164 3.068 1.00 0.15 N ATOM 324 CA ALA A 77 -4.616 -4.448 3.766 1.00 0.19 C ATOM 325 C ALA A 77 -4.655 -4.757 5.254 1.00 0.26 C ATOM 326 O ALA A 77 -3.620 -4.914 5.900 1.00 0.47 O ATOM 327 CB ALA A 77 -4.752 -2.951 3.538 1.00 0.17 C ATOM 0 H ALA A 77 -6.351 -4.563 2.610 1.00 0.15 H new ATOM 0 HA ALA A 77 -3.656 -4.777 3.369 1.00 0.19 H new ATOM 0 HB1 ALA A 77 -3.956 -2.428 4.069 1.00 0.17 H new ATOM 0 HB2 ALA A 77 -4.678 -2.737 2.472 1.00 0.17 H new ATOM 0 HB3 ALA A 77 -5.719 -2.613 3.910 1.00 0.17 H new ATOM 333 N LYS A 78 -5.865 -4.853 5.785 1.00 0.17 N ATOM 334 CA LYS A 78 -6.070 -5.113 7.191 1.00 0.21 C ATOM 335 C LYS A 78 -6.073 -6.600 7.512 1.00 0.19 C ATOM 336 O LYS A 78 -6.526 -7.021 8.579 1.00 0.33 O ATOM 337 CB LYS A 78 -7.349 -4.450 7.629 1.00 0.32 C ATOM 338 CG LYS A 78 -7.172 -2.954 7.631 1.00 0.54 C ATOM 339 CD LYS A 78 -8.186 -2.243 8.504 1.00 0.46 C ATOM 340 CE LYS A 78 -9.475 -1.909 7.764 1.00 0.58 C ATOM 341 NZ LYS A 78 -10.454 -1.216 8.647 1.00 1.30 N ATOM 0 H LYS A 78 -6.727 -4.752 5.249 1.00 0.17 H new ATOM 0 HA LYS A 78 -5.233 -4.692 7.747 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -8.162 -4.729 6.959 1.00 0.32 H new ATOM 0 HB3 LYS A 78 -7.625 -4.794 8.626 1.00 0.32 H new ATOM 0 HG2 LYS A 78 -6.168 -2.712 7.978 1.00 0.54 H new ATOM 0 HG3 LYS A 78 -7.254 -2.582 6.610 1.00 0.54 H new ATOM 0 HD2 LYS A 78 -8.419 -2.869 9.365 1.00 0.46 H new ATOM 0 HD3 LYS A 78 -7.745 -1.323 8.889 1.00 0.46 H new ATOM 0 HE2 LYS A 78 -9.248 -1.277 6.906 1.00 0.58 H new ATOM 0 HE3 LYS A 78 -9.920 -2.825 7.376 1.00 0.58 H new ATOM 0 HZ1 LYS A 78 -11.318 -1.005 8.109 1.00 1.30 H new ATOM 0 HZ2 LYS A 78 -10.689 -1.830 9.453 1.00 1.30 H new ATOM 0 HZ3 LYS A 78 -10.039 -0.329 8.997 1.00 1.30 H new ATOM 355 N SER A 79 -5.563 -7.391 6.589 1.00 0.13 N ATOM 356 CA SER A 79 -5.352 -8.799 6.843 1.00 0.14 C ATOM 357 C SER A 79 -3.956 -8.989 7.416 1.00 0.15 C ATOM 358 O SER A 79 -3.077 -8.159 7.180 1.00 0.17 O ATOM 359 CB SER A 79 -5.524 -9.613 5.561 1.00 0.21 C ATOM 360 OG SER A 79 -5.410 -11.003 5.815 1.00 0.30 O ATOM 0 H SER A 79 -5.288 -7.081 5.657 1.00 0.13 H new ATOM 0 HA SER A 79 -6.093 -9.154 7.559 1.00 0.14 H new ATOM 0 HB2 SER A 79 -6.498 -9.400 5.120 1.00 0.21 H new ATOM 0 HB3 SER A 79 -4.772 -9.311 4.832 1.00 0.21 H new ATOM 0 HG SER A 79 -5.526 -11.499 4.978 1.00 0.30 H new ATOM 366 N GLN A 80 -3.748 -10.070 8.157 1.00 0.26 N ATOM 367 CA GLN A 80 -2.467 -10.319 8.818 1.00 0.33 C ATOM 368 C GLN A 80 -1.314 -10.341 7.817 1.00 0.27 C ATOM 369 O GLN A 80 -0.210 -9.886 8.118 1.00 0.32 O ATOM 370 CB GLN A 80 -2.515 -11.637 9.584 1.00 0.45 C ATOM 371 CG GLN A 80 -3.440 -11.601 10.788 1.00 1.51 C ATOM 372 CD GLN A 80 -3.561 -12.949 11.463 1.00 1.98 C ATOM 373 OE1 GLN A 80 -4.447 -13.740 11.140 1.00 2.65 O ATOM 374 NE2 GLN A 80 -2.667 -13.222 12.398 1.00 2.42 N ATOM 0 H GLN A 80 -4.450 -10.792 8.317 1.00 0.26 H new ATOM 0 HA GLN A 80 -2.291 -9.501 9.517 1.00 0.33 H new ATOM 0 HB2 GLN A 80 -2.839 -12.429 8.909 1.00 0.45 H new ATOM 0 HB3 GLN A 80 -1.509 -11.893 9.916 1.00 0.45 H new ATOM 0 HG2 GLN A 80 -3.069 -10.870 11.506 1.00 1.51 H new ATOM 0 HG3 GLN A 80 -4.428 -11.265 10.474 1.00 1.51 H new ATOM 0 HE21 GLN A 80 -1.950 -12.536 12.634 1.00 2.42 H new ATOM 0 HE22 GLN A 80 -2.695 -14.119 12.884 1.00 2.42 H new ATOM 383 N SER A 81 -1.589 -10.842 6.622 1.00 0.24 N ATOM 384 CA SER A 81 -0.581 -10.936 5.579 1.00 0.22 C ATOM 385 C SER A 81 -0.114 -9.550 5.142 1.00 0.16 C ATOM 386 O SER A 81 1.087 -9.274 5.077 1.00 0.18 O ATOM 387 CB SER A 81 -1.155 -11.710 4.395 1.00 0.27 C ATOM 388 OG SER A 81 -2.458 -11.247 4.076 1.00 0.99 O ATOM 0 H SER A 81 -2.508 -11.191 6.350 1.00 0.24 H new ATOM 0 HA SER A 81 0.287 -11.466 5.971 1.00 0.22 H new ATOM 0 HB2 SER A 81 -0.502 -11.597 3.530 1.00 0.27 H new ATOM 0 HB3 SER A 81 -1.190 -12.773 4.632 1.00 0.27 H new ATOM 0 HG SER A 81 -2.808 -11.754 3.314 1.00 0.99 H new ATOM 394 N PHE A 82 -1.065 -8.667 4.872 1.00 0.12 N ATOM 395 CA PHE A 82 -0.733 -7.335 4.411 1.00 0.11 C ATOM 396 C PHE A 82 -0.363 -6.427 5.588 1.00 0.12 C ATOM 397 O PHE A 82 0.261 -5.394 5.411 1.00 0.14 O ATOM 398 CB PHE A 82 -1.850 -6.718 3.572 1.00 0.12 C ATOM 399 CG PHE A 82 -1.315 -5.898 2.429 1.00 0.11 C ATOM 400 CD1 PHE A 82 -0.566 -6.503 1.431 1.00 0.09 C ATOM 401 CD2 PHE A 82 -1.545 -4.534 2.352 1.00 0.14 C ATOM 402 CE1 PHE A 82 -0.055 -5.762 0.381 1.00 0.10 C ATOM 403 CE2 PHE A 82 -1.043 -3.792 1.306 1.00 0.13 C ATOM 404 CZ PHE A 82 -0.294 -4.403 0.320 1.00 0.09 C ATOM 0 H PHE A 82 -2.064 -8.851 4.965 1.00 0.12 H new ATOM 0 HA PHE A 82 0.137 -7.428 3.761 1.00 0.11 H new ATOM 0 HB2 PHE A 82 -2.489 -7.510 3.181 1.00 0.12 H new ATOM 0 HB3 PHE A 82 -2.474 -6.089 4.207 1.00 0.12 H new ATOM 0 HD1 PHE A 82 -0.379 -7.566 1.474 1.00 0.09 H new ATOM 0 HD2 PHE A 82 -2.125 -4.047 3.122 1.00 0.14 H new ATOM 0 HE1 PHE A 82 0.529 -6.244 -0.389 1.00 0.10 H new ATOM 0 HE2 PHE A 82 -1.236 -2.730 1.257 1.00 0.13 H new ATOM 0 HZ PHE A 82 0.104 -3.820 -0.497 1.00 0.09 H new ATOM 414 N SER A 83 -0.764 -6.787 6.792 1.00 0.13 N ATOM 415 CA SER A 83 -0.345 -6.027 7.967 1.00 0.17 C ATOM 416 C SER A 83 1.178 -6.092 8.137 1.00 0.21 C ATOM 417 O SER A 83 1.793 -5.182 8.673 1.00 0.40 O ATOM 418 CB SER A 83 -1.045 -6.547 9.228 1.00 0.21 C ATOM 419 OG SER A 83 -2.454 -6.406 9.122 1.00 1.17 O ATOM 0 H SER A 83 -1.368 -7.585 6.987 1.00 0.13 H new ATOM 0 HA SER A 83 -0.633 -4.986 7.818 1.00 0.17 H new ATOM 0 HB2 SER A 83 -0.791 -7.596 9.383 1.00 0.21 H new ATOM 0 HB3 SER A 83 -0.686 -6.000 10.100 1.00 0.21 H new ATOM 0 HG SER A 83 -2.796 -7.033 8.451 1.00 1.17 H new ATOM 425 N THR A 84 1.782 -7.166 7.663 1.00 0.17 N ATOM 426 CA THR A 84 3.211 -7.359 7.798 1.00 0.22 C ATOM 427 C THR A 84 3.994 -6.940 6.550 1.00 0.16 C ATOM 428 O THR A 84 5.050 -6.315 6.670 1.00 0.21 O ATOM 429 CB THR A 84 3.500 -8.841 8.132 1.00 0.36 C ATOM 430 OG1 THR A 84 3.587 -9.025 9.550 1.00 0.80 O ATOM 431 CG2 THR A 84 4.767 -9.343 7.455 1.00 0.64 C ATOM 0 H THR A 84 1.299 -7.922 7.178 1.00 0.17 H new ATOM 0 HA THR A 84 3.549 -6.713 8.608 1.00 0.22 H new ATOM 0 HB THR A 84 2.668 -9.430 7.745 1.00 0.36 H new ATOM 0 HG1 THR A 84 4.517 -9.210 9.799 1.00 0.80 H new ATOM 0 HG21 THR A 84 4.930 -10.388 7.718 1.00 0.64 H new ATOM 0 HG22 THR A 84 4.662 -9.253 6.374 1.00 0.64 H new ATOM 0 HG23 THR A 84 5.618 -8.748 7.788 1.00 0.64 H new ATOM 439 N ARG A 85 3.444 -7.241 5.372 1.00 0.15 N ATOM 440 CA ARG A 85 4.225 -7.316 4.133 1.00 0.16 C ATOM 441 C ARG A 85 5.252 -6.176 3.969 1.00 0.15 C ATOM 442 O ARG A 85 6.439 -6.437 3.796 1.00 0.15 O ATOM 443 CB ARG A 85 3.298 -7.437 2.905 1.00 0.19 C ATOM 444 CG ARG A 85 2.801 -6.121 2.329 1.00 0.17 C ATOM 445 CD ARG A 85 1.987 -5.373 3.335 1.00 0.14 C ATOM 446 NE ARG A 85 1.730 -3.984 2.948 1.00 0.14 N ATOM 447 CZ ARG A 85 1.702 -2.955 3.804 1.00 0.14 C ATOM 448 NH1 ARG A 85 1.807 -3.166 5.114 1.00 0.14 N ATOM 449 NH2 ARG A 85 1.547 -1.716 3.349 1.00 0.19 N ATOM 0 H ARG A 85 2.451 -7.439 5.249 1.00 0.15 H new ATOM 0 HA ARG A 85 4.822 -8.225 4.206 1.00 0.16 H new ATOM 0 HB2 ARG A 85 3.829 -7.979 2.122 1.00 0.19 H new ATOM 0 HB3 ARG A 85 2.434 -8.042 3.181 1.00 0.19 H new ATOM 0 HG2 ARG A 85 3.650 -5.512 2.017 1.00 0.17 H new ATOM 0 HG3 ARG A 85 2.201 -6.312 1.439 1.00 0.17 H new ATOM 0 HD2 ARG A 85 1.036 -5.886 3.478 1.00 0.14 H new ATOM 0 HD3 ARG A 85 2.504 -5.387 4.295 1.00 0.14 H new ATOM 0 HE ARG A 85 1.561 -3.788 1.961 1.00 0.14 H new ATOM 0 HH11 ARG A 85 1.910 -4.116 5.471 1.00 0.14 H new ATOM 0 HH12 ARG A 85 1.785 -2.378 5.761 1.00 0.14 H new ATOM 0 HH21 ARG A 85 1.449 -1.549 2.348 1.00 0.19 H new ATOM 0 HH22 ARG A 85 1.526 -0.932 4.001 1.00 0.19 H new ATOM 463 N ILE A 86 4.805 -4.926 4.027 1.00 0.13 N ATOM 464 CA ILE A 86 5.695 -3.803 3.823 1.00 0.13 C ATOM 465 C ILE A 86 6.251 -3.299 5.148 1.00 0.14 C ATOM 466 O ILE A 86 7.397 -2.877 5.224 1.00 0.16 O ATOM 467 CB ILE A 86 5.011 -2.631 3.087 1.00 0.10 C ATOM 468 CG1 ILE A 86 4.386 -3.093 1.777 1.00 0.14 C ATOM 469 CG2 ILE A 86 6.014 -1.541 2.813 1.00 0.13 C ATOM 470 CD1 ILE A 86 5.258 -4.041 1.005 1.00 0.21 C ATOM 0 H ILE A 86 3.835 -4.672 4.213 1.00 0.13 H new ATOM 0 HA ILE A 86 6.507 -4.171 3.197 1.00 0.13 H new ATOM 0 HB ILE A 86 4.218 -2.246 3.728 1.00 0.10 H new ATOM 0 HG12 ILE A 86 3.433 -3.577 1.988 1.00 0.14 H new ATOM 0 HG13 ILE A 86 4.171 -2.222 1.158 1.00 0.14 H new ATOM 0 HG21 ILE A 86 5.524 -0.718 2.293 1.00 0.13 H new ATOM 0 HG22 ILE A 86 6.427 -1.181 3.755 1.00 0.13 H new ATOM 0 HG23 ILE A 86 6.818 -1.935 2.191 1.00 0.13 H new ATOM 0 HD11 ILE A 86 4.753 -4.331 0.083 1.00 0.21 H new ATOM 0 HD12 ILE A 86 6.202 -3.553 0.764 1.00 0.21 H new ATOM 0 HD13 ILE A 86 5.452 -4.929 1.607 1.00 0.21 H new ATOM 482 N GLU A 87 5.408 -3.322 6.180 1.00 0.16 N ATOM 483 CA GLU A 87 5.781 -2.869 7.515 1.00 0.20 C ATOM 484 C GLU A 87 7.089 -3.482 8.000 1.00 0.22 C ATOM 485 O GLU A 87 7.906 -2.802 8.619 1.00 0.28 O ATOM 486 CB GLU A 87 4.649 -3.175 8.492 1.00 0.27 C ATOM 487 CG GLU A 87 3.426 -2.308 8.247 1.00 0.40 C ATOM 488 CD GLU A 87 2.388 -2.394 9.340 1.00 0.44 C ATOM 489 OE1 GLU A 87 2.761 -2.389 10.528 1.00 0.56 O ATOM 490 OE2 GLU A 87 1.187 -2.420 9.007 1.00 0.89 O ATOM 0 H GLU A 87 4.447 -3.656 6.111 1.00 0.16 H new ATOM 0 HA GLU A 87 5.945 -1.793 7.464 1.00 0.20 H new ATOM 0 HB2 GLU A 87 4.371 -4.225 8.405 1.00 0.27 H new ATOM 0 HB3 GLU A 87 5.001 -3.022 9.512 1.00 0.27 H new ATOM 0 HG2 GLU A 87 3.743 -1.271 8.141 1.00 0.40 H new ATOM 0 HG3 GLU A 87 2.969 -2.600 7.301 1.00 0.40 H new ATOM 497 N GLU A 88 7.293 -4.758 7.713 1.00 0.25 N ATOM 498 CA GLU A 88 8.512 -5.430 8.130 1.00 0.30 C ATOM 499 C GLU A 88 9.618 -5.270 7.081 1.00 0.32 C ATOM 500 O GLU A 88 10.761 -5.670 7.298 1.00 0.37 O ATOM 501 CB GLU A 88 8.226 -6.897 8.438 1.00 0.42 C ATOM 502 CG GLU A 88 7.206 -7.058 9.560 1.00 0.52 C ATOM 503 CD GLU A 88 7.211 -8.435 10.184 1.00 1.09 C ATOM 504 OE1 GLU A 88 8.264 -8.866 10.699 1.00 1.54 O ATOM 505 OE2 GLU A 88 6.167 -9.115 10.128 1.00 1.64 O ATOM 0 H GLU A 88 6.636 -5.344 7.198 1.00 0.25 H new ATOM 0 HA GLU A 88 8.874 -4.961 9.045 1.00 0.30 H new ATOM 0 HB2 GLU A 88 7.857 -7.391 7.539 1.00 0.42 H new ATOM 0 HB3 GLU A 88 9.154 -7.396 8.717 1.00 0.42 H new ATOM 0 HG2 GLU A 88 7.407 -6.316 10.333 1.00 0.52 H new ATOM 0 HG3 GLU A 88 6.211 -6.848 9.169 1.00 0.52 H new ATOM 512 N LEU A 89 9.256 -4.694 5.939 1.00 0.34 N ATOM 513 CA LEU A 89 10.216 -4.376 4.888 1.00 0.35 C ATOM 514 C LEU A 89 10.765 -2.965 5.050 1.00 0.34 C ATOM 515 O LEU A 89 11.846 -2.650 4.558 1.00 0.38 O ATOM 516 CB LEU A 89 9.566 -4.501 3.510 1.00 0.33 C ATOM 517 CG LEU A 89 10.356 -5.312 2.492 1.00 0.32 C ATOM 518 CD1 LEU A 89 11.821 -4.911 2.473 1.00 0.32 C ATOM 519 CD2 LEU A 89 10.213 -6.789 2.778 1.00 0.37 C ATOM 0 H LEU A 89 8.295 -4.436 5.717 1.00 0.34 H new ATOM 0 HA LEU A 89 11.037 -5.088 4.973 1.00 0.35 H new ATOM 0 HB2 LEU A 89 8.583 -4.956 3.630 1.00 0.33 H new ATOM 0 HB3 LEU A 89 9.407 -3.500 3.109 1.00 0.33 H new ATOM 0 HG LEU A 89 9.946 -5.101 1.504 1.00 0.32 H new ATOM 0 HD11 LEU A 89 12.353 -5.511 1.735 1.00 0.32 H new ATOM 0 HD12 LEU A 89 11.906 -3.856 2.213 1.00 0.32 H new ATOM 0 HD13 LEU A 89 12.257 -5.078 3.458 1.00 0.32 H new ATOM 0 HD21 LEU A 89 10.782 -7.359 2.043 1.00 0.37 H new ATOM 0 HD22 LEU A 89 10.592 -7.004 3.777 1.00 0.37 H new ATOM 0 HD23 LEU A 89 9.162 -7.071 2.720 1.00 0.37 H new ATOM 531 N GLY A 90 10.021 -2.113 5.726 1.00 0.31 N ATOM 532 CA GLY A 90 10.468 -0.754 5.913 1.00 0.31 C ATOM 533 C GLY A 90 9.354 0.258 5.739 1.00 0.26 C ATOM 534 O GLY A 90 9.461 1.393 6.194 1.00 0.29 O ATOM 0 H GLY A 90 9.119 -2.335 6.148 1.00 0.31 H new ATOM 0 HA2 GLY A 90 10.895 -0.650 6.911 1.00 0.31 H new ATOM 0 HA3 GLY A 90 11.265 -0.537 5.202 1.00 0.31 H new ATOM 538 N GLY A 91 8.282 -0.154 5.078 1.00 0.22 N ATOM 539 CA GLY A 91 7.155 0.736 4.868 1.00 0.18 C ATOM 540 C GLY A 91 6.009 0.423 5.812 1.00 0.14 C ATOM 541 O GLY A 91 6.248 -0.084 6.903 1.00 0.16 O ATOM 0 H GLY A 91 8.171 -1.088 4.683 1.00 0.22 H new ATOM 0 HA2 GLY A 91 7.474 1.768 5.013 1.00 0.18 H new ATOM 0 HA3 GLY A 91 6.811 0.651 3.837 1.00 0.18 H new ATOM 545 N SER A 92 4.759 0.700 5.397 1.00 0.12 N ATOM 546 CA SER A 92 3.598 0.435 6.246 1.00 0.12 C ATOM 547 C SER A 92 2.283 0.859 5.588 1.00 0.11 C ATOM 548 O SER A 92 2.259 1.290 4.434 1.00 0.12 O ATOM 549 CB SER A 92 3.766 1.127 7.599 1.00 0.16 C ATOM 550 OG SER A 92 4.171 2.478 7.440 1.00 0.21 O ATOM 0 H SER A 92 4.535 1.103 4.487 1.00 0.12 H new ATOM 0 HA SER A 92 3.545 -0.644 6.395 1.00 0.12 H new ATOM 0 HB2 SER A 92 2.825 1.089 8.149 1.00 0.16 H new ATOM 0 HB3 SER A 92 4.505 0.591 8.195 1.00 0.16 H new ATOM 0 HG SER A 92 5.111 2.507 7.164 1.00 0.21 H new ATOM 556 N ILE A 93 1.189 0.674 6.320 1.00 0.14 N ATOM 557 CA ILE A 93 -0.147 1.037 5.857 1.00 0.13 C ATOM 558 C ILE A 93 -0.586 2.368 6.484 1.00 0.14 C ATOM 559 O ILE A 93 -0.215 2.681 7.612 1.00 0.25 O ATOM 560 CB ILE A 93 -1.181 -0.058 6.241 1.00 0.18 C ATOM 561 CG1 ILE A 93 -0.953 -1.351 5.463 1.00 0.18 C ATOM 562 CG2 ILE A 93 -2.595 0.420 5.994 1.00 0.22 C ATOM 563 CD1 ILE A 93 -1.226 -2.592 6.280 1.00 0.24 C ATOM 0 H ILE A 93 1.204 0.266 7.255 1.00 0.14 H new ATOM 0 HA ILE A 93 -0.107 1.133 4.772 1.00 0.13 H new ATOM 0 HB ILE A 93 -1.042 -0.258 7.303 1.00 0.18 H new ATOM 0 HG12 ILE A 93 -1.595 -1.355 4.582 1.00 0.18 H new ATOM 0 HG13 ILE A 93 0.077 -1.377 5.108 1.00 0.18 H new ATOM 0 HG21 ILE A 93 -3.298 -0.365 6.271 1.00 0.22 H new ATOM 0 HG22 ILE A 93 -2.789 1.309 6.594 1.00 0.22 H new ATOM 0 HG23 ILE A 93 -2.718 0.661 4.938 1.00 0.22 H new ATOM 0 HD11 ILE A 93 -1.045 -3.477 5.669 1.00 0.24 H new ATOM 0 HD12 ILE A 93 -0.566 -2.609 7.147 1.00 0.24 H new ATOM 0 HD13 ILE A 93 -2.264 -2.587 6.614 1.00 0.24 H new ATOM 575 N SER A 94 -1.347 3.159 5.739 1.00 0.09 N ATOM 576 CA SER A 94 -1.977 4.356 6.283 1.00 0.12 C ATOM 577 C SER A 94 -3.430 4.429 5.843 1.00 0.14 C ATOM 578 O SER A 94 -3.717 4.656 4.673 1.00 0.19 O ATOM 579 CB SER A 94 -1.245 5.609 5.817 1.00 0.15 C ATOM 580 OG SER A 94 0.144 5.523 6.089 1.00 0.17 O ATOM 0 H SER A 94 -1.544 2.993 4.752 1.00 0.09 H new ATOM 0 HA SER A 94 -1.928 4.301 7.371 1.00 0.12 H new ATOM 0 HB2 SER A 94 -1.401 5.747 4.747 1.00 0.15 H new ATOM 0 HB3 SER A 94 -1.662 6.484 6.316 1.00 0.15 H new ATOM 0 HG SER A 94 0.602 5.114 5.325 1.00 0.17 H new ATOM 586 N PHE A 95 -4.343 4.232 6.774 1.00 0.15 N ATOM 587 CA PHE A 95 -5.755 4.256 6.446 1.00 0.16 C ATOM 588 C PHE A 95 -6.354 5.631 6.650 1.00 0.18 C ATOM 589 O PHE A 95 -6.381 6.168 7.759 1.00 0.26 O ATOM 590 CB PHE A 95 -6.530 3.237 7.269 1.00 0.18 C ATOM 591 CG PHE A 95 -6.766 1.942 6.554 1.00 0.26 C ATOM 592 CD1 PHE A 95 -5.777 0.983 6.491 1.00 0.39 C ATOM 593 CD2 PHE A 95 -7.982 1.689 5.944 1.00 0.39 C ATOM 594 CE1 PHE A 95 -5.994 -0.211 5.826 1.00 0.50 C ATOM 595 CE2 PHE A 95 -8.207 0.502 5.280 1.00 0.50 C ATOM 596 CZ PHE A 95 -7.212 -0.452 5.222 1.00 0.52 C ATOM 0 H PHE A 95 -4.135 4.055 7.757 1.00 0.15 H new ATOM 0 HA PHE A 95 -5.836 3.996 5.391 1.00 0.16 H new ATOM 0 HB2 PHE A 95 -5.985 3.039 8.192 1.00 0.18 H new ATOM 0 HB3 PHE A 95 -7.491 3.666 7.552 1.00 0.18 H new ATOM 0 HD1 PHE A 95 -4.824 1.166 6.965 1.00 0.39 H new ATOM 0 HD2 PHE A 95 -8.765 2.431 5.989 1.00 0.39 H new ATOM 0 HE1 PHE A 95 -5.211 -0.954 5.779 1.00 0.50 H new ATOM 0 HE2 PHE A 95 -9.160 0.319 4.806 1.00 0.50 H new ATOM 0 HZ PHE A 95 -7.385 -1.385 4.706 1.00 0.52 H new ATOM 606 N LEU A 96 -6.824 6.190 5.557 1.00 0.16 N ATOM 607 CA LEU A 96 -7.562 7.430 5.569 1.00 0.18 C ATOM 608 C LEU A 96 -9.027 7.083 5.315 1.00 0.21 C ATOM 609 O LEU A 96 -9.563 7.314 4.225 1.00 0.23 O ATOM 610 CB LEU A 96 -7.047 8.400 4.488 1.00 0.20 C ATOM 611 CG LEU A 96 -5.517 8.615 4.408 1.00 0.21 C ATOM 612 CD1 LEU A 96 -4.903 8.812 5.786 1.00 0.70 C ATOM 613 CD2 LEU A 96 -4.833 7.468 3.686 1.00 0.79 C ATOM 0 H LEU A 96 -6.702 5.791 4.626 1.00 0.16 H new ATOM 0 HA LEU A 96 -7.437 7.931 6.529 1.00 0.18 H new ATOM 0 HB2 LEU A 96 -7.389 8.039 3.518 1.00 0.20 H new ATOM 0 HB3 LEU A 96 -7.517 9.370 4.651 1.00 0.20 H new ATOM 0 HG LEU A 96 -5.356 9.527 3.833 1.00 0.21 H new ATOM 0 HD11 LEU A 96 -3.828 8.960 5.687 1.00 0.70 H new ATOM 0 HD12 LEU A 96 -5.347 9.687 6.261 1.00 0.70 H new ATOM 0 HD13 LEU A 96 -5.093 7.931 6.399 1.00 0.70 H new ATOM 0 HD21 LEU A 96 -3.759 7.651 3.648 1.00 0.79 H new ATOM 0 HD22 LEU A 96 -5.024 6.537 4.220 1.00 0.79 H new ATOM 0 HD23 LEU A 96 -5.225 7.391 2.672 1.00 0.79 H new ATOM 625 N THR A 97 -9.659 6.487 6.323 1.00 0.24 N ATOM 626 CA THR A 97 -10.981 5.887 6.173 1.00 0.29 C ATOM 627 C THR A 97 -12.080 6.928 5.959 1.00 0.34 C ATOM 628 O THR A 97 -13.243 6.572 5.759 1.00 0.41 O ATOM 629 CB THR A 97 -11.325 5.003 7.390 1.00 0.33 C ATOM 630 OG1 THR A 97 -11.018 5.700 8.609 1.00 0.36 O ATOM 631 CG2 THR A 97 -10.559 3.683 7.343 1.00 0.35 C ATOM 0 H THR A 97 -9.271 6.407 7.263 1.00 0.24 H new ATOM 0 HA THR A 97 -10.938 5.268 5.277 1.00 0.29 H new ATOM 0 HB THR A 97 -12.392 4.783 7.357 1.00 0.33 H new ATOM 0 HG1 THR A 97 -11.241 5.132 9.376 1.00 0.36 H new ATOM 0 HG21 THR A 97 -10.820 3.080 8.212 1.00 0.35 H new ATOM 0 HG22 THR A 97 -10.821 3.142 6.434 1.00 0.35 H new ATOM 0 HG23 THR A 97 -9.488 3.884 7.349 1.00 0.35 H new ATOM 639 N GLU A 98 -11.710 8.208 5.994 1.00 0.34 N ATOM 640 CA GLU A 98 -12.645 9.287 5.696 1.00 0.42 C ATOM 641 C GLU A 98 -13.317 9.061 4.343 1.00 0.38 C ATOM 642 O GLU A 98 -14.540 9.033 4.240 1.00 0.39 O ATOM 643 CB GLU A 98 -11.931 10.646 5.705 1.00 0.52 C ATOM 644 CG GLU A 98 -10.543 10.632 5.083 1.00 0.85 C ATOM 645 CD GLU A 98 -9.958 12.022 4.938 1.00 1.14 C ATOM 646 OE1 GLU A 98 -9.542 12.605 5.959 1.00 1.45 O ATOM 647 OE2 GLU A 98 -9.913 12.537 3.802 1.00 1.39 O ATOM 0 H GLU A 98 -10.767 8.521 6.226 1.00 0.34 H new ATOM 0 HA GLU A 98 -13.410 9.290 6.472 1.00 0.42 H new ATOM 0 HB2 GLU A 98 -12.547 11.370 5.172 1.00 0.52 H new ATOM 0 HB3 GLU A 98 -11.851 10.993 6.735 1.00 0.52 H new ATOM 0 HG2 GLU A 98 -9.879 10.024 5.698 1.00 0.85 H new ATOM 0 HG3 GLU A 98 -10.592 10.158 4.103 1.00 0.85 H new ATOM 654 N THR A 99 -12.503 8.877 3.318 1.00 0.37 N ATOM 655 CA THR A 99 -13.004 8.667 1.972 1.00 0.37 C ATOM 656 C THR A 99 -12.859 7.202 1.568 1.00 0.34 C ATOM 657 O THR A 99 -13.526 6.726 0.649 1.00 0.55 O ATOM 658 CB THR A 99 -12.236 9.558 0.978 1.00 0.44 C ATOM 659 OG1 THR A 99 -12.204 10.903 1.468 1.00 0.50 O ATOM 660 CG2 THR A 99 -12.876 9.536 -0.406 1.00 0.49 C ATOM 0 H THR A 99 -11.486 8.869 3.394 1.00 0.37 H new ATOM 0 HA THR A 99 -14.061 8.933 1.953 1.00 0.37 H new ATOM 0 HB THR A 99 -11.223 9.166 0.887 1.00 0.44 H new ATOM 0 HG1 THR A 99 -11.714 11.470 0.836 1.00 0.50 H new ATOM 0 HG21 THR A 99 -12.307 10.176 -1.080 1.00 0.49 H new ATOM 0 HG22 THR A 99 -12.878 8.516 -0.790 1.00 0.49 H new ATOM 0 HG23 THR A 99 -13.901 9.901 -0.339 1.00 0.49 H new ATOM 668 N GLY A 100 -12.003 6.483 2.280 1.00 0.19 N ATOM 669 CA GLY A 100 -11.717 5.115 1.911 1.00 0.18 C ATOM 670 C GLY A 100 -10.401 5.008 1.184 1.00 0.16 C ATOM 671 O GLY A 100 -10.300 4.311 0.189 1.00 0.21 O ATOM 0 H GLY A 100 -11.504 6.822 3.103 1.00 0.19 H new ATOM 0 HA2 GLY A 100 -11.693 4.492 2.805 1.00 0.18 H new ATOM 0 HA3 GLY A 100 -12.517 4.732 1.278 1.00 0.18 H new ATOM 675 N VAL A 101 -9.411 5.756 1.640 1.00 0.13 N ATOM 676 CA VAL A 101 -8.092 5.717 1.031 1.00 0.14 C ATOM 677 C VAL A 101 -7.106 4.989 1.931 1.00 0.12 C ATOM 678 O VAL A 101 -6.949 5.340 3.096 1.00 0.23 O ATOM 679 CB VAL A 101 -7.553 7.139 0.757 1.00 0.16 C ATOM 680 CG1 VAL A 101 -6.167 7.085 0.128 1.00 0.21 C ATOM 681 CG2 VAL A 101 -8.509 7.921 -0.127 1.00 0.23 C ATOM 0 H VAL A 101 -9.495 6.397 2.429 1.00 0.13 H new ATOM 0 HA VAL A 101 -8.194 5.185 0.085 1.00 0.14 H new ATOM 0 HB VAL A 101 -7.473 7.655 1.714 1.00 0.16 H new ATOM 0 HG11 VAL A 101 -5.811 8.099 -0.055 1.00 0.21 H new ATOM 0 HG12 VAL A 101 -5.480 6.575 0.804 1.00 0.21 H new ATOM 0 HG13 VAL A 101 -6.217 6.542 -0.816 1.00 0.21 H new ATOM 0 HG21 VAL A 101 -8.107 8.918 -0.305 1.00 0.23 H new ATOM 0 HG22 VAL A 101 -8.630 7.404 -1.079 1.00 0.23 H new ATOM 0 HG23 VAL A 101 -9.477 8.003 0.367 1.00 0.23 H new ATOM 691 N THR A 102 -6.461 3.969 1.403 1.00 0.10 N ATOM 692 CA THR A 102 -5.369 3.322 2.101 1.00 0.09 C ATOM 693 C THR A 102 -4.035 3.673 1.444 1.00 0.09 C ATOM 694 O THR A 102 -3.710 3.186 0.367 1.00 0.10 O ATOM 695 CB THR A 102 -5.538 1.794 2.139 1.00 0.10 C ATOM 696 OG1 THR A 102 -6.783 1.465 2.754 1.00 0.11 O ATOM 697 CG2 THR A 102 -4.410 1.152 2.929 1.00 0.12 C ATOM 0 H THR A 102 -6.675 3.569 0.489 1.00 0.10 H new ATOM 0 HA THR A 102 -5.380 3.689 3.127 1.00 0.09 H new ATOM 0 HB THR A 102 -5.516 1.418 1.116 1.00 0.10 H new ATOM 0 HG1 THR A 102 -6.619 0.932 3.560 1.00 0.11 H new ATOM 0 HG21 THR A 102 -4.547 0.071 2.945 1.00 0.12 H new ATOM 0 HG22 THR A 102 -3.456 1.390 2.460 1.00 0.12 H new ATOM 0 HG23 THR A 102 -4.418 1.534 3.950 1.00 0.12 H new ATOM 705 N MET A 103 -3.267 4.531 2.091 1.00 0.10 N ATOM 706 CA MET A 103 -1.966 4.926 1.567 1.00 0.10 C ATOM 707 C MET A 103 -0.896 3.929 2.015 1.00 0.10 C ATOM 708 O MET A 103 -0.591 3.838 3.200 1.00 0.13 O ATOM 709 CB MET A 103 -1.588 6.338 2.036 1.00 0.12 C ATOM 710 CG MET A 103 -1.575 7.396 0.935 1.00 0.20 C ATOM 711 SD MET A 103 -0.897 8.971 1.494 1.00 1.26 S ATOM 712 CE MET A 103 -1.961 9.341 2.884 1.00 1.19 C ATOM 0 H MET A 103 -3.518 4.968 2.978 1.00 0.10 H new ATOM 0 HA MET A 103 -2.026 4.930 0.479 1.00 0.10 H new ATOM 0 HB2 MET A 103 -2.289 6.648 2.811 1.00 0.12 H new ATOM 0 HB3 MET A 103 -0.601 6.301 2.496 1.00 0.12 H new ATOM 0 HG2 MET A 103 -0.988 7.031 0.092 1.00 0.20 H new ATOM 0 HG3 MET A 103 -2.591 7.550 0.573 1.00 0.20 H new ATOM 0 HE1 MET A 103 -1.767 10.356 3.230 1.00 1.19 H new ATOM 0 HE2 MET A 103 -3.003 9.255 2.577 1.00 1.19 H new ATOM 0 HE3 MET A 103 -1.761 8.637 3.692 1.00 1.19 H new ATOM 722 N ILE A 104 -0.343 3.167 1.080 1.00 0.08 N ATOM 723 CA ILE A 104 0.717 2.222 1.412 1.00 0.08 C ATOM 724 C ILE A 104 2.072 2.835 1.190 1.00 0.08 C ATOM 725 O ILE A 104 2.416 3.223 0.083 1.00 0.12 O ATOM 726 CB ILE A 104 0.634 0.900 0.611 1.00 0.08 C ATOM 727 CG1 ILE A 104 -0.459 0.011 1.181 1.00 0.10 C ATOM 728 CG2 ILE A 104 1.970 0.158 0.615 1.00 0.10 C ATOM 729 CD1 ILE A 104 -1.833 0.348 0.670 1.00 0.10 C ATOM 0 H ILE A 104 -0.607 3.183 0.095 1.00 0.08 H new ATOM 0 HA ILE A 104 0.575 1.984 2.466 1.00 0.08 H new ATOM 0 HB ILE A 104 0.393 1.150 -0.422 1.00 0.08 H new ATOM 0 HG12 ILE A 104 -0.235 -1.028 0.939 1.00 0.10 H new ATOM 0 HG13 ILE A 104 -0.454 0.093 2.268 1.00 0.10 H new ATOM 0 HG21 ILE A 104 1.875 -0.765 0.043 1.00 0.10 H new ATOM 0 HG22 ILE A 104 2.737 0.787 0.163 1.00 0.10 H new ATOM 0 HG23 ILE A 104 2.252 -0.078 1.641 1.00 0.10 H new ATOM 0 HD11 ILE A 104 -2.563 -0.326 1.118 1.00 0.10 H new ATOM 0 HD12 ILE A 104 -2.078 1.377 0.935 1.00 0.10 H new ATOM 0 HD13 ILE A 104 -1.855 0.238 -0.414 1.00 0.10 H new ATOM 741 N GLU A 105 2.832 2.916 2.253 1.00 0.09 N ATOM 742 CA GLU A 105 4.188 3.385 2.172 1.00 0.10 C ATOM 743 C GLU A 105 5.128 2.200 1.975 1.00 0.10 C ATOM 744 O GLU A 105 5.196 1.319 2.819 1.00 0.13 O ATOM 745 CB GLU A 105 4.544 4.152 3.441 1.00 0.13 C ATOM 746 CG GLU A 105 4.769 5.630 3.203 1.00 0.19 C ATOM 747 CD GLU A 105 4.853 6.437 4.485 1.00 0.35 C ATOM 748 OE1 GLU A 105 3.890 6.403 5.278 1.00 0.48 O ATOM 749 OE2 GLU A 105 5.894 7.088 4.715 1.00 0.45 O ATOM 0 H GLU A 105 2.529 2.660 3.193 1.00 0.09 H new ATOM 0 HA GLU A 105 4.293 4.058 1.321 1.00 0.10 H new ATOM 0 HB2 GLU A 105 3.744 4.026 4.170 1.00 0.13 H new ATOM 0 HB3 GLU A 105 5.444 3.720 3.878 1.00 0.13 H new ATOM 0 HG2 GLU A 105 5.690 5.764 2.636 1.00 0.19 H new ATOM 0 HG3 GLU A 105 3.957 6.020 2.589 1.00 0.19 H new ATOM 756 N LEU A 106 5.806 2.164 0.842 1.00 0.12 N ATOM 757 CA LEU A 106 6.782 1.126 0.545 1.00 0.12 C ATOM 758 C LEU A 106 8.028 1.751 -0.052 1.00 0.16 C ATOM 759 O LEU A 106 7.963 2.452 -1.057 1.00 0.19 O ATOM 760 CB LEU A 106 6.188 0.090 -0.419 1.00 0.12 C ATOM 761 CG LEU A 106 7.156 -0.999 -0.922 1.00 0.14 C ATOM 762 CD1 LEU A 106 6.386 -2.207 -1.386 1.00 0.17 C ATOM 763 CD2 LEU A 106 8.013 -0.512 -2.081 1.00 0.16 C ATOM 0 H LEU A 106 5.697 2.854 0.099 1.00 0.12 H new ATOM 0 HA LEU A 106 7.049 0.616 1.471 1.00 0.12 H new ATOM 0 HB2 LEU A 106 5.349 -0.399 0.076 1.00 0.12 H new ATOM 0 HB3 LEU A 106 5.785 0.617 -1.284 1.00 0.12 H new ATOM 0 HG LEU A 106 7.805 -1.252 -0.084 1.00 0.14 H new ATOM 0 HD11 LEU A 106 7.082 -2.968 -1.739 1.00 0.17 H new ATOM 0 HD12 LEU A 106 5.801 -2.606 -0.557 1.00 0.17 H new ATOM 0 HD13 LEU A 106 5.717 -1.922 -2.198 1.00 0.17 H new ATOM 0 HD21 LEU A 106 8.679 -1.313 -2.402 1.00 0.16 H new ATOM 0 HD22 LEU A 106 7.370 -0.220 -2.911 1.00 0.16 H new ATOM 0 HD23 LEU A 106 8.604 0.346 -1.761 1.00 0.16 H new ATOM 775 N PRO A 107 9.183 1.505 0.553 1.00 0.17 N ATOM 776 CA PRO A 107 10.444 2.040 0.076 1.00 0.21 C ATOM 777 C PRO A 107 10.947 1.278 -1.127 1.00 0.25 C ATOM 778 O PRO A 107 10.816 0.064 -1.205 1.00 0.20 O ATOM 779 CB PRO A 107 11.379 1.829 1.251 1.00 0.23 C ATOM 780 CG PRO A 107 10.848 0.613 1.918 1.00 0.21 C ATOM 781 CD PRO A 107 9.357 0.653 1.735 1.00 0.17 C ATOM 0 HA PRO A 107 10.362 3.080 -0.240 1.00 0.21 H new ATOM 0 HB2 PRO A 107 12.408 1.687 0.922 1.00 0.23 H new ATOM 0 HB3 PRO A 107 11.375 2.687 1.923 1.00 0.23 H new ATOM 0 HG2 PRO A 107 11.271 -0.289 1.476 1.00 0.21 H new ATOM 0 HG3 PRO A 107 11.110 0.603 2.976 1.00 0.21 H new ATOM 0 HD2 PRO A 107 8.945 -0.343 1.576 1.00 0.17 H new ATOM 0 HD3 PRO A 107 8.856 1.070 2.608 1.00 0.17 H new ATOM 789 N LYS A 108 11.549 1.981 -2.055 1.00 0.40 N ATOM 790 CA LYS A 108 12.113 1.336 -3.222 1.00 0.47 C ATOM 791 C LYS A 108 13.384 0.589 -2.851 1.00 0.50 C ATOM 792 O LYS A 108 14.089 0.050 -3.704 1.00 0.59 O ATOM 793 CB LYS A 108 12.342 2.374 -4.300 1.00 0.62 C ATOM 794 CG LYS A 108 11.027 2.941 -4.790 1.00 0.69 C ATOM 795 CD LYS A 108 11.172 4.354 -5.299 1.00 0.99 C ATOM 796 CE LYS A 108 9.816 5.005 -5.473 1.00 0.68 C ATOM 797 NZ LYS A 108 9.932 6.340 -6.102 1.00 1.10 N ATOM 0 H LYS A 108 11.662 2.994 -2.028 1.00 0.40 H new ATOM 0 HA LYS A 108 11.419 0.593 -3.615 1.00 0.47 H new ATOM 0 HB2 LYS A 108 12.967 3.178 -3.910 1.00 0.62 H new ATOM 0 HB3 LYS A 108 12.883 1.926 -5.133 1.00 0.62 H new ATOM 0 HG2 LYS A 108 10.634 2.308 -5.586 1.00 0.69 H new ATOM 0 HG3 LYS A 108 10.300 2.921 -3.979 1.00 0.69 H new ATOM 0 HD2 LYS A 108 11.773 4.937 -4.601 1.00 0.99 H new ATOM 0 HD3 LYS A 108 11.703 4.350 -6.251 1.00 0.99 H new ATOM 0 HE2 LYS A 108 9.181 4.366 -6.087 1.00 0.68 H new ATOM 0 HE3 LYS A 108 9.330 5.100 -4.502 1.00 0.68 H new ATOM 0 HZ1 LYS A 108 9.771 7.076 -5.386 1.00 1.10 H new ATOM 0 HZ2 LYS A 108 10.884 6.452 -6.506 1.00 1.10 H new ATOM 0 HZ3 LYS A 108 9.223 6.431 -6.857 1.00 1.10 H new ATOM 811 N THR A 109 13.650 0.564 -1.555 1.00 0.47 N ATOM 812 CA THR A 109 14.719 -0.240 -1.002 1.00 0.53 C ATOM 813 C THR A 109 14.221 -1.641 -0.622 1.00 0.46 C ATOM 814 O THR A 109 15.018 -2.495 -0.225 1.00 0.53 O ATOM 815 CB THR A 109 15.343 0.448 0.222 1.00 0.62 C ATOM 816 OG1 THR A 109 14.331 0.741 1.192 1.00 0.61 O ATOM 817 CG2 THR A 109 16.045 1.734 -0.189 1.00 0.72 C ATOM 0 H THR A 109 13.130 1.101 -0.861 1.00 0.47 H new ATOM 0 HA THR A 109 15.483 -0.345 -1.772 1.00 0.53 H new ATOM 0 HB THR A 109 16.076 -0.229 0.660 1.00 0.62 H new ATOM 0 HG1 THR A 109 14.406 1.678 1.470 1.00 0.61 H new ATOM 0 HG21 THR A 109 16.481 2.208 0.691 1.00 0.72 H new ATOM 0 HG22 THR A 109 16.833 1.505 -0.906 1.00 0.72 H new ATOM 0 HG23 THR A 109 15.324 2.412 -0.646 1.00 0.72 H new ATOM 825 N VAL A 110 12.902 -1.880 -0.724 1.00 0.34 N ATOM 826 CA VAL A 110 12.368 -3.236 -0.551 1.00 0.28 C ATOM 827 C VAL A 110 12.836 -4.121 -1.696 1.00 0.25 C ATOM 828 O VAL A 110 13.276 -3.623 -2.736 1.00 0.28 O ATOM 829 CB VAL A 110 10.823 -3.321 -0.501 1.00 0.21 C ATOM 830 CG1 VAL A 110 10.231 -2.314 0.458 1.00 0.21 C ATOM 831 CG2 VAL A 110 10.219 -3.175 -1.882 1.00 0.17 C ATOM 0 H VAL A 110 12.201 -1.166 -0.921 1.00 0.34 H new ATOM 0 HA VAL A 110 12.745 -3.567 0.417 1.00 0.28 H new ATOM 0 HB VAL A 110 10.571 -4.313 -0.125 1.00 0.21 H new ATOM 0 HG11 VAL A 110 9.145 -2.409 0.461 1.00 0.21 H new ATOM 0 HG12 VAL A 110 10.614 -2.498 1.462 1.00 0.21 H new ATOM 0 HG13 VAL A 110 10.506 -1.307 0.144 1.00 0.21 H new ATOM 0 HG21 VAL A 110 9.133 -3.239 -1.813 1.00 0.17 H new ATOM 0 HG22 VAL A 110 10.499 -2.209 -2.302 1.00 0.17 H new ATOM 0 HG23 VAL A 110 10.589 -3.972 -2.527 1.00 0.17 H new ATOM 841 N SER A 111 12.757 -5.423 -1.499 1.00 0.24 N ATOM 842 CA SER A 111 13.028 -6.360 -2.568 1.00 0.22 C ATOM 843 C SER A 111 12.071 -6.085 -3.728 1.00 0.17 C ATOM 844 O SER A 111 10.920 -5.715 -3.502 1.00 0.18 O ATOM 845 CB SER A 111 12.819 -7.782 -2.057 1.00 0.27 C ATOM 846 OG SER A 111 12.994 -7.847 -0.649 1.00 0.96 O ATOM 0 H SER A 111 12.507 -5.854 -0.609 1.00 0.24 H new ATOM 0 HA SER A 111 14.057 -6.246 -2.909 1.00 0.22 H new ATOM 0 HB2 SER A 111 11.817 -8.123 -2.319 1.00 0.27 H new ATOM 0 HB3 SER A 111 13.523 -8.455 -2.546 1.00 0.27 H new ATOM 0 HG SER A 111 12.118 -7.890 -0.212 1.00 0.96 H new ATOM 852 N GLU A 112 12.534 -6.256 -4.958 1.00 0.21 N ATOM 853 CA GLU A 112 11.675 -6.080 -6.129 1.00 0.26 C ATOM 854 C GLU A 112 10.416 -6.937 -5.987 1.00 0.24 C ATOM 855 O GLU A 112 9.331 -6.531 -6.391 1.00 0.28 O ATOM 856 CB GLU A 112 12.447 -6.467 -7.390 1.00 0.35 C ATOM 857 CG GLU A 112 11.630 -6.422 -8.670 1.00 0.46 C ATOM 858 CD GLU A 112 12.361 -7.068 -9.828 1.00 0.63 C ATOM 859 OE1 GLU A 112 12.391 -8.316 -9.891 1.00 0.80 O ATOM 860 OE2 GLU A 112 12.936 -6.339 -10.662 1.00 1.03 O ATOM 0 H GLU A 112 13.496 -6.516 -5.175 1.00 0.21 H new ATOM 0 HA GLU A 112 11.374 -5.035 -6.205 1.00 0.26 H new ATOM 0 HB2 GLU A 112 13.302 -5.799 -7.496 1.00 0.35 H new ATOM 0 HB3 GLU A 112 12.844 -7.474 -7.263 1.00 0.35 H new ATOM 0 HG2 GLU A 112 10.679 -6.930 -8.512 1.00 0.46 H new ATOM 0 HG3 GLU A 112 11.400 -5.386 -8.918 1.00 0.46 H new ATOM 867 N HIS A 113 10.584 -8.115 -5.391 1.00 0.23 N ATOM 868 CA HIS A 113 9.463 -8.984 -5.031 1.00 0.27 C ATOM 869 C HIS A 113 8.422 -8.211 -4.240 1.00 0.25 C ATOM 870 O HIS A 113 7.251 -8.179 -4.594 1.00 0.41 O ATOM 871 CB HIS A 113 9.953 -10.146 -4.167 1.00 0.32 C ATOM 872 CG HIS A 113 10.737 -11.196 -4.893 1.00 0.40 C ATOM 873 ND1 HIS A 113 10.950 -12.455 -4.378 1.00 0.71 N ATOM 874 CD2 HIS A 113 11.372 -11.168 -6.084 1.00 0.46 C ATOM 875 CE1 HIS A 113 11.684 -13.155 -5.220 1.00 0.73 C ATOM 876 NE2 HIS A 113 11.957 -12.398 -6.267 1.00 0.55 N ATOM 0 H HIS A 113 11.498 -8.495 -5.144 1.00 0.23 H new ATOM 0 HA HIS A 113 9.022 -9.361 -5.954 1.00 0.27 H new ATOM 0 HB2 HIS A 113 10.571 -9.745 -3.364 1.00 0.32 H new ATOM 0 HB3 HIS A 113 9.090 -10.619 -3.699 1.00 0.32 H new ATOM 0 HD2 HIS A 113 11.413 -10.333 -6.767 1.00 0.46 H new ATOM 0 HE1 HIS A 113 12.008 -14.176 -5.078 1.00 0.73 H new ATOM 0 HE2 HIS A 113 12.510 -12.679 -7.077 1.00 0.55 H new ATOM 885 N ASP A 114 8.880 -7.569 -3.185 1.00 0.23 N ATOM 886 CA ASP A 114 8.005 -6.885 -2.249 1.00 0.26 C ATOM 887 C ASP A 114 7.462 -5.603 -2.850 1.00 0.25 C ATOM 888 O ASP A 114 6.390 -5.137 -2.478 1.00 0.33 O ATOM 889 CB ASP A 114 8.770 -6.600 -0.953 1.00 0.31 C ATOM 890 CG ASP A 114 9.151 -7.878 -0.228 1.00 1.20 C ATOM 891 OD1 ASP A 114 8.255 -8.537 0.349 1.00 1.13 O ATOM 892 OD2 ASP A 114 10.351 -8.221 -0.207 1.00 2.05 O ATOM 0 H ASP A 114 9.871 -7.505 -2.950 1.00 0.23 H new ATOM 0 HA ASP A 114 7.153 -7.527 -2.026 1.00 0.26 H new ATOM 0 HB2 ASP A 114 9.670 -6.030 -1.181 1.00 0.31 H new ATOM 0 HB3 ASP A 114 8.157 -5.980 -0.298 1.00 0.31 H new ATOM 897 N MET A 115 8.187 -5.049 -3.798 1.00 0.23 N ATOM 898 CA MET A 115 7.762 -3.825 -4.447 1.00 0.23 C ATOM 899 C MET A 115 6.746 -4.119 -5.537 1.00 0.24 C ATOM 900 O MET A 115 5.796 -3.374 -5.737 1.00 0.47 O ATOM 901 CB MET A 115 8.960 -3.104 -5.049 1.00 0.20 C ATOM 902 CG MET A 115 8.610 -1.791 -5.725 1.00 0.22 C ATOM 903 SD MET A 115 9.963 -1.143 -6.726 1.00 0.22 S ATOM 904 CE MET A 115 11.330 -1.289 -5.577 1.00 1.62 C ATOM 0 H MET A 115 9.072 -5.425 -4.137 1.00 0.23 H new ATOM 0 HA MET A 115 7.297 -3.187 -3.695 1.00 0.23 H new ATOM 0 HB2 MET A 115 9.690 -2.913 -4.262 1.00 0.20 H new ATOM 0 HB3 MET A 115 9.439 -3.760 -5.776 1.00 0.20 H new ATOM 0 HG2 MET A 115 7.733 -1.934 -6.356 1.00 0.22 H new ATOM 0 HG3 MET A 115 8.341 -1.057 -4.966 1.00 0.22 H new ATOM 0 HE1 MET A 115 12.026 -0.465 -5.733 1.00 1.62 H new ATOM 0 HE2 MET A 115 10.952 -1.256 -4.555 1.00 1.62 H new ATOM 0 HE3 MET A 115 11.845 -2.235 -5.743 1.00 1.62 H new ATOM 914 N ASP A 116 6.957 -5.202 -6.252 1.00 0.15 N ATOM 915 CA ASP A 116 6.066 -5.561 -7.342 1.00 0.18 C ATOM 916 C ASP A 116 4.887 -6.367 -6.835 1.00 0.19 C ATOM 917 O ASP A 116 3.748 -5.920 -6.906 1.00 0.24 O ATOM 918 CB ASP A 116 6.814 -6.350 -8.413 1.00 0.23 C ATOM 919 CG ASP A 116 5.928 -6.702 -9.590 1.00 0.42 C ATOM 920 OD1 ASP A 116 5.601 -5.794 -10.387 1.00 0.61 O ATOM 921 OD2 ASP A 116 5.555 -7.885 -9.726 1.00 0.64 O ATOM 0 H ASP A 116 7.732 -5.848 -6.103 1.00 0.15 H new ATOM 0 HA ASP A 116 5.691 -4.637 -7.783 1.00 0.18 H new ATOM 0 HB2 ASP A 116 7.665 -5.766 -8.763 1.00 0.23 H new ATOM 0 HB3 ASP A 116 7.213 -7.265 -7.975 1.00 0.23 H new ATOM 926 N GLN A 117 5.179 -7.536 -6.288 1.00 0.17 N ATOM 927 CA GLN A 117 4.147 -8.479 -5.865 1.00 0.18 C ATOM 928 C GLN A 117 3.231 -7.885 -4.805 1.00 0.15 C ATOM 929 O GLN A 117 2.023 -8.060 -4.866 1.00 0.17 O ATOM 930 CB GLN A 117 4.772 -9.756 -5.311 1.00 0.23 C ATOM 931 CG GLN A 117 5.627 -10.521 -6.300 1.00 0.96 C ATOM 932 CD GLN A 117 6.050 -11.866 -5.754 1.00 1.67 C ATOM 933 OE1 GLN A 117 5.407 -12.885 -5.998 1.00 2.42 O ATOM 934 NE2 GLN A 117 7.111 -11.869 -4.973 1.00 2.30 N ATOM 0 H GLN A 117 6.132 -7.860 -6.124 1.00 0.17 H new ATOM 0 HA GLN A 117 3.555 -8.708 -6.751 1.00 0.18 H new ATOM 0 HB2 GLN A 117 5.383 -9.500 -4.445 1.00 0.23 H new ATOM 0 HB3 GLN A 117 3.976 -10.411 -4.957 1.00 0.23 H new ATOM 0 HG2 GLN A 117 5.071 -10.663 -7.227 1.00 0.96 H new ATOM 0 HG3 GLN A 117 6.512 -9.934 -6.546 1.00 0.96 H new ATOM 0 HE21 GLN A 117 7.617 -11.001 -4.796 1.00 2.30 H new ATOM 0 HE22 GLN A 117 7.427 -12.739 -4.545 1.00 2.30 H new ATOM 943 N LEU A 118 3.800 -7.188 -3.832 1.00 0.14 N ATOM 944 CA LEU A 118 3.012 -6.677 -2.717 1.00 0.13 C ATOM 945 C LEU A 118 2.190 -5.459 -3.110 1.00 0.12 C ATOM 946 O LEU A 118 1.056 -5.306 -2.667 1.00 0.13 O ATOM 947 CB LEU A 118 3.897 -6.362 -1.525 1.00 0.12 C ATOM 948 CG LEU A 118 4.456 -7.596 -0.813 1.00 0.15 C ATOM 949 CD1 LEU A 118 5.403 -7.184 0.293 1.00 0.18 C ATOM 950 CD2 LEU A 118 3.326 -8.447 -0.244 1.00 0.16 C ATOM 0 H LEU A 118 4.794 -6.964 -3.790 1.00 0.14 H new ATOM 0 HA LEU A 118 2.314 -7.464 -2.432 1.00 0.13 H new ATOM 0 HB2 LEU A 118 4.729 -5.741 -1.859 1.00 0.12 H new ATOM 0 HB3 LEU A 118 3.326 -5.771 -0.809 1.00 0.12 H new ATOM 0 HG LEU A 118 5.005 -8.191 -1.543 1.00 0.15 H new ATOM 0 HD11 LEU A 118 5.792 -8.073 0.789 1.00 0.18 H new ATOM 0 HD12 LEU A 118 6.230 -6.614 -0.130 1.00 0.18 H new ATOM 0 HD13 LEU A 118 4.870 -6.568 1.017 1.00 0.18 H new ATOM 0 HD21 LEU A 118 3.745 -9.319 0.258 1.00 0.16 H new ATOM 0 HD22 LEU A 118 2.751 -7.858 0.471 1.00 0.16 H new ATOM 0 HD23 LEU A 118 2.673 -8.773 -1.054 1.00 0.16 H new ATOM 962 N LEU A 119 2.749 -4.591 -3.938 1.00 0.13 N ATOM 963 CA LEU A 119 1.978 -3.468 -4.460 1.00 0.13 C ATOM 964 C LEU A 119 0.976 -3.971 -5.486 1.00 0.13 C ATOM 965 O LEU A 119 0.016 -3.290 -5.838 1.00 0.14 O ATOM 966 CB LEU A 119 2.886 -2.403 -5.072 1.00 0.14 C ATOM 967 CG LEU A 119 3.945 -1.845 -4.120 1.00 0.11 C ATOM 968 CD1 LEU A 119 4.539 -0.568 -4.678 1.00 0.12 C ATOM 969 CD2 LEU A 119 3.360 -1.629 -2.729 1.00 0.17 C ATOM 0 H LEU A 119 3.716 -4.637 -4.260 1.00 0.13 H new ATOM 0 HA LEU A 119 1.443 -3.003 -3.632 1.00 0.13 H new ATOM 0 HB2 LEU A 119 3.386 -2.828 -5.942 1.00 0.14 H new ATOM 0 HB3 LEU A 119 2.268 -1.579 -5.430 1.00 0.14 H new ATOM 0 HG LEU A 119 4.750 -2.574 -4.028 1.00 0.11 H new ATOM 0 HD11 LEU A 119 5.291 -0.185 -3.988 1.00 0.12 H new ATOM 0 HD12 LEU A 119 5.003 -0.774 -5.643 1.00 0.12 H new ATOM 0 HD13 LEU A 119 3.751 0.174 -4.805 1.00 0.12 H new ATOM 0 HD21 LEU A 119 4.130 -1.232 -2.068 1.00 0.17 H new ATOM 0 HD22 LEU A 119 2.533 -0.922 -2.788 1.00 0.17 H new ATOM 0 HD23 LEU A 119 2.998 -2.579 -2.335 1.00 0.17 H new ATOM 981 N HIS A 120 1.216 -5.177 -5.959 1.00 0.13 N ATOM 982 CA HIS A 120 0.299 -5.852 -6.855 1.00 0.13 C ATOM 983 C HIS A 120 -0.720 -6.647 -6.053 1.00 0.13 C ATOM 984 O HIS A 120 -1.792 -6.964 -6.549 1.00 0.14 O ATOM 985 CB HIS A 120 1.080 -6.781 -7.768 1.00 0.14 C ATOM 986 CG HIS A 120 0.339 -7.254 -8.985 1.00 0.21 C ATOM 987 ND1 HIS A 120 0.603 -6.791 -10.257 1.00 0.30 N ATOM 988 CD2 HIS A 120 -0.644 -8.175 -9.125 1.00 0.25 C ATOM 989 CE1 HIS A 120 -0.182 -7.403 -11.120 1.00 0.37 C ATOM 990 NE2 HIS A 120 -0.948 -8.249 -10.460 1.00 0.34 N ATOM 0 H HIS A 120 2.052 -5.717 -5.733 1.00 0.13 H new ATOM 0 HA HIS A 120 -0.229 -5.113 -7.457 1.00 0.13 H new ATOM 0 HB2 HIS A 120 1.987 -6.269 -8.091 1.00 0.14 H new ATOM 0 HB3 HIS A 120 1.393 -7.652 -7.192 1.00 0.14 H new ATOM 0 HD2 HIS A 120 -1.104 -8.746 -8.332 1.00 0.25 H new ATOM 0 HE1 HIS A 120 -0.196 -7.239 -12.187 1.00 0.37 H new ATOM 0 HE2 HIS A 120 -1.652 -8.859 -10.875 1.00 0.34 H new ATOM 999 N ASP A 121 -0.372 -6.968 -4.809 1.00 0.12 N ATOM 1000 CA ASP A 121 -1.301 -7.628 -3.893 1.00 0.12 C ATOM 1001 C ASP A 121 -2.424 -6.662 -3.637 1.00 0.11 C ATOM 1002 O ASP A 121 -3.576 -7.035 -3.421 1.00 0.13 O ATOM 1003 CB ASP A 121 -0.624 -7.972 -2.566 1.00 0.14 C ATOM 1004 CG ASP A 121 -1.343 -9.065 -1.808 1.00 0.23 C ATOM 1005 OD1 ASP A 121 -1.265 -10.233 -2.229 1.00 0.42 O ATOM 1006 OD2 ASP A 121 -2.008 -8.750 -0.795 1.00 0.42 O ATOM 0 H ASP A 121 0.548 -6.782 -4.411 1.00 0.12 H new ATOM 0 HA ASP A 121 -1.656 -8.559 -4.334 1.00 0.12 H new ATOM 0 HB2 ASP A 121 0.403 -8.284 -2.757 1.00 0.14 H new ATOM 0 HB3 ASP A 121 -0.575 -7.077 -1.945 1.00 0.14 H new ATOM 1011 N ILE A 122 -2.040 -5.400 -3.685 1.00 0.10 N ATOM 1012 CA ILE A 122 -2.964 -4.301 -3.655 1.00 0.10 C ATOM 1013 C ILE A 122 -3.975 -4.449 -4.776 1.00 0.10 C ATOM 1014 O ILE A 122 -5.182 -4.471 -4.550 1.00 0.11 O ATOM 1015 CB ILE A 122 -2.204 -2.966 -3.788 1.00 0.10 C ATOM 1016 CG1 ILE A 122 -1.152 -2.883 -2.684 1.00 0.10 C ATOM 1017 CG2 ILE A 122 -3.165 -1.796 -3.736 1.00 0.11 C ATOM 1018 CD1 ILE A 122 -0.457 -1.545 -2.581 1.00 0.10 C ATOM 0 H ILE A 122 -1.063 -5.114 -3.747 1.00 0.10 H new ATOM 0 HA ILE A 122 -3.493 -4.304 -2.702 1.00 0.10 H new ATOM 0 HB ILE A 122 -1.702 -2.921 -4.754 1.00 0.10 H new ATOM 0 HG12 ILE A 122 -1.627 -3.106 -1.729 1.00 0.10 H new ATOM 0 HG13 ILE A 122 -0.402 -3.656 -2.855 1.00 0.10 H new ATOM 0 HG21 ILE A 122 -2.609 -0.864 -3.832 1.00 0.11 H new ATOM 0 HG22 ILE A 122 -3.881 -1.877 -4.554 1.00 0.11 H new ATOM 0 HG23 ILE A 122 -3.698 -1.805 -2.785 1.00 0.11 H new ATOM 0 HD11 ILE A 122 0.273 -1.575 -1.772 1.00 0.10 H new ATOM 0 HD12 ILE A 122 0.051 -1.326 -3.520 1.00 0.10 H new ATOM 0 HD13 ILE A 122 -1.193 -0.767 -2.376 1.00 0.10 H new ATOM 1030 N LEU A 123 -3.457 -4.614 -5.980 1.00 0.11 N ATOM 1031 CA LEU A 123 -4.287 -4.781 -7.160 1.00 0.12 C ATOM 1032 C LEU A 123 -5.029 -6.113 -7.131 1.00 0.13 C ATOM 1033 O LEU A 123 -6.114 -6.242 -7.699 1.00 0.14 O ATOM 1034 CB LEU A 123 -3.423 -4.697 -8.421 1.00 0.14 C ATOM 1035 CG LEU A 123 -3.176 -3.293 -8.980 1.00 0.15 C ATOM 1036 CD1 LEU A 123 -2.447 -2.419 -7.972 1.00 0.16 C ATOM 1037 CD2 LEU A 123 -2.384 -3.385 -10.272 1.00 0.20 C ATOM 0 H LEU A 123 -2.455 -4.636 -6.167 1.00 0.11 H new ATOM 0 HA LEU A 123 -5.026 -3.980 -7.169 1.00 0.12 H new ATOM 0 HB2 LEU A 123 -2.457 -5.155 -8.206 1.00 0.14 H new ATOM 0 HB3 LEU A 123 -3.894 -5.298 -9.199 1.00 0.14 H new ATOM 0 HG LEU A 123 -4.142 -2.830 -9.184 1.00 0.15 H new ATOM 0 HD11 LEU A 123 -2.286 -1.429 -8.398 1.00 0.16 H new ATOM 0 HD12 LEU A 123 -3.046 -2.331 -7.066 1.00 0.16 H new ATOM 0 HD13 LEU A 123 -1.485 -2.870 -7.728 1.00 0.16 H new ATOM 0 HD21 LEU A 123 -2.211 -2.383 -10.665 1.00 0.20 H new ATOM 0 HD22 LEU A 123 -1.427 -3.869 -10.078 1.00 0.20 H new ATOM 0 HD23 LEU A 123 -2.945 -3.969 -11.002 1.00 0.20 H new ATOM 1049 N ALA A 124 -4.439 -7.098 -6.460 1.00 0.14 N ATOM 1050 CA ALA A 124 -5.062 -8.408 -6.288 1.00 0.16 C ATOM 1051 C ALA A 124 -6.328 -8.289 -5.456 1.00 0.17 C ATOM 1052 O ALA A 124 -7.145 -9.207 -5.390 1.00 0.23 O ATOM 1053 CB ALA A 124 -4.090 -9.371 -5.621 1.00 0.17 C ATOM 0 H ALA A 124 -3.522 -7.013 -6.022 1.00 0.14 H new ATOM 0 HA ALA A 124 -5.325 -8.796 -7.272 1.00 0.16 H new ATOM 0 HB1 ALA A 124 -4.567 -10.343 -5.499 1.00 0.17 H new ATOM 0 HB2 ALA A 124 -3.201 -9.479 -6.242 1.00 0.17 H new ATOM 0 HB3 ALA A 124 -3.805 -8.982 -4.644 1.00 0.17 H new ATOM 1059 N ALA A 125 -6.469 -7.145 -4.820 1.00 0.13 N ATOM 1060 CA ALA A 125 -7.619 -6.854 -4.001 1.00 0.14 C ATOM 1061 C ALA A 125 -8.439 -5.744 -4.629 1.00 0.14 C ATOM 1062 O ALA A 125 -9.339 -5.185 -4.007 1.00 0.20 O ATOM 1063 CB ALA A 125 -7.148 -6.459 -2.621 1.00 0.15 C ATOM 0 H ALA A 125 -5.784 -6.390 -4.859 1.00 0.13 H new ATOM 0 HA ALA A 125 -8.253 -7.737 -3.924 1.00 0.14 H new ATOM 0 HB1 ALA A 125 -8.010 -6.236 -1.992 1.00 0.15 H new ATOM 0 HB2 ALA A 125 -6.580 -7.279 -2.182 1.00 0.15 H new ATOM 0 HB3 ALA A 125 -6.513 -5.576 -2.692 1.00 0.15 H new ATOM 1069 N GLY A 126 -8.106 -5.416 -5.867 1.00 0.13 N ATOM 1070 CA GLY A 126 -8.792 -4.352 -6.559 1.00 0.16 C ATOM 1071 C GLY A 126 -8.176 -3.010 -6.252 1.00 0.15 C ATOM 1072 O GLY A 126 -8.404 -2.033 -6.963 1.00 0.21 O ATOM 0 H GLY A 126 -7.369 -5.871 -6.405 1.00 0.13 H new ATOM 0 HA2 GLY A 126 -8.757 -4.533 -7.633 1.00 0.16 H new ATOM 0 HA3 GLY A 126 -9.843 -4.346 -6.270 1.00 0.16 H new ATOM 1076 N GLY A 127 -7.383 -2.985 -5.186 1.00 0.15 N ATOM 1077 CA GLY A 127 -6.777 -1.766 -4.707 1.00 0.16 C ATOM 1078 C GLY A 127 -5.954 -1.071 -5.764 1.00 0.19 C ATOM 1079 O GLY A 127 -5.112 -1.688 -6.416 1.00 0.35 O ATOM 0 H GLY A 127 -7.148 -3.812 -4.637 1.00 0.15 H new ATOM 0 HA2 GLY A 127 -7.557 -1.090 -4.357 1.00 0.16 H new ATOM 0 HA3 GLY A 127 -6.143 -1.992 -3.849 1.00 0.16 H new ATOM 1083 N VAL A 128 -6.209 0.208 -5.937 1.00 0.16 N ATOM 1084 CA VAL A 128 -5.482 1.007 -6.903 1.00 0.22 C ATOM 1085 C VAL A 128 -4.272 1.653 -6.244 1.00 0.18 C ATOM 1086 O VAL A 128 -4.260 1.846 -5.038 1.00 0.36 O ATOM 1087 CB VAL A 128 -6.383 2.096 -7.502 1.00 0.40 C ATOM 1088 CG1 VAL A 128 -7.545 1.465 -8.252 1.00 1.05 C ATOM 1089 CG2 VAL A 128 -6.890 3.030 -6.416 1.00 0.64 C ATOM 0 H VAL A 128 -6.920 0.721 -5.417 1.00 0.16 H new ATOM 0 HA VAL A 128 -5.150 0.348 -7.705 1.00 0.22 H new ATOM 0 HB VAL A 128 -5.794 2.683 -8.207 1.00 0.40 H new ATOM 0 HG11 VAL A 128 -8.176 2.249 -8.672 1.00 1.05 H new ATOM 0 HG12 VAL A 128 -7.161 0.838 -9.057 1.00 1.05 H new ATOM 0 HG13 VAL A 128 -8.132 0.855 -7.566 1.00 1.05 H new ATOM 0 HG21 VAL A 128 -7.527 3.794 -6.862 1.00 0.64 H new ATOM 0 HG22 VAL A 128 -7.464 2.460 -5.685 1.00 0.64 H new ATOM 0 HG23 VAL A 128 -6.043 3.506 -5.921 1.00 0.64 H new ATOM 1099 N VAL A 129 -3.260 1.988 -7.026 1.00 0.21 N ATOM 1100 CA VAL A 129 -2.045 2.564 -6.467 1.00 0.20 C ATOM 1101 C VAL A 129 -1.738 3.922 -7.094 1.00 0.23 C ATOM 1102 O VAL A 129 -1.897 4.110 -8.304 1.00 0.32 O ATOM 1103 CB VAL A 129 -0.838 1.616 -6.638 1.00 0.24 C ATOM 1104 CG1 VAL A 129 -1.066 0.329 -5.859 1.00 0.21 C ATOM 1105 CG2 VAL A 129 -0.574 1.310 -8.108 1.00 0.31 C ATOM 0 H VAL A 129 -3.253 1.874 -8.040 1.00 0.21 H new ATOM 0 HA VAL A 129 -2.220 2.705 -5.400 1.00 0.20 H new ATOM 0 HB VAL A 129 0.044 2.119 -6.241 1.00 0.24 H new ATOM 0 HG11 VAL A 129 -0.208 -0.331 -5.988 1.00 0.21 H new ATOM 0 HG12 VAL A 129 -1.190 0.561 -4.801 1.00 0.21 H new ATOM 0 HG13 VAL A 129 -1.964 -0.166 -6.229 1.00 0.21 H new ATOM 0 HG21 VAL A 129 0.282 0.640 -8.192 1.00 0.31 H new ATOM 0 HG22 VAL A 129 -1.452 0.833 -8.544 1.00 0.31 H new ATOM 0 HG23 VAL A 129 -0.363 2.237 -8.640 1.00 0.31 H new ATOM 1115 N GLY A 130 -1.319 4.872 -6.264 1.00 0.35 N ATOM 1116 CA GLY A 130 -0.983 6.196 -6.752 1.00 0.36 C ATOM 1117 C GLY A 130 0.374 6.670 -6.256 1.00 0.44 C ATOM 1118 O GLY A 130 1.102 5.916 -5.615 1.00 0.85 O ATOM 0 H GLY A 130 -1.206 4.747 -5.258 1.00 0.35 H new ATOM 0 HA2 GLY A 130 -0.987 6.190 -7.842 1.00 0.36 H new ATOM 0 HA3 GLY A 130 -1.750 6.903 -6.435 1.00 0.36 H new ATOM 1122 N LEU A 131 0.713 7.917 -6.556 1.00 0.32 N ATOM 1123 CA LEU A 131 1.987 8.495 -6.133 1.00 0.33 C ATOM 1124 C LEU A 131 1.751 9.608 -5.124 1.00 0.32 C ATOM 1125 O LEU A 131 1.472 10.749 -5.490 1.00 0.45 O ATOM 1126 CB LEU A 131 2.780 9.033 -7.333 1.00 0.37 C ATOM 1127 CG LEU A 131 3.404 7.972 -8.255 1.00 0.46 C ATOM 1128 CD1 LEU A 131 4.222 6.971 -7.451 1.00 0.97 C ATOM 1129 CD2 LEU A 131 2.340 7.258 -9.080 1.00 1.17 C ATOM 0 H LEU A 131 0.122 8.552 -7.093 1.00 0.32 H new ATOM 0 HA LEU A 131 2.574 7.705 -5.665 1.00 0.33 H new ATOM 0 HB2 LEU A 131 2.118 9.661 -7.929 1.00 0.37 H new ATOM 0 HB3 LEU A 131 3.577 9.675 -6.959 1.00 0.37 H new ATOM 0 HG LEU A 131 4.072 8.486 -8.946 1.00 0.46 H new ATOM 0 HD11 LEU A 131 4.654 6.230 -8.124 1.00 0.97 H new ATOM 0 HD12 LEU A 131 5.021 7.493 -6.925 1.00 0.97 H new ATOM 0 HD13 LEU A 131 3.577 6.472 -6.727 1.00 0.97 H new ATOM 0 HD21 LEU A 131 2.814 6.515 -9.721 1.00 1.17 H new ATOM 0 HD22 LEU A 131 1.633 6.764 -8.413 1.00 1.17 H new ATOM 0 HD23 LEU A 131 1.810 7.984 -9.697 1.00 1.17 H new ATOM 1141 N ASP A 132 1.840 9.256 -3.854 1.00 0.24 N ATOM 1142 CA ASP A 132 1.628 10.207 -2.775 1.00 0.23 C ATOM 1143 C ASP A 132 2.944 10.734 -2.254 1.00 0.39 C ATOM 1144 O ASP A 132 3.236 11.926 -2.360 1.00 0.90 O ATOM 1145 CB ASP A 132 0.832 9.563 -1.647 1.00 0.25 C ATOM 1146 CG ASP A 132 -0.614 9.384 -2.039 1.00 0.65 C ATOM 1147 OD1 ASP A 132 -0.883 8.572 -2.948 1.00 1.06 O ATOM 1148 OD2 ASP A 132 -1.483 10.078 -1.470 1.00 0.98 O ATOM 0 H ASP A 132 2.060 8.310 -3.542 1.00 0.24 H new ATOM 0 HA ASP A 132 1.057 11.047 -3.171 1.00 0.23 H new ATOM 0 HB2 ASP A 132 1.267 8.595 -1.397 1.00 0.25 H new ATOM 0 HB3 ASP A 132 0.896 10.182 -0.752 1.00 0.25 H new ATOM 1153 N SER A 133 3.757 9.845 -1.724 1.00 0.55 N ATOM 1154 CA SER A 133 4.998 10.255 -1.107 1.00 0.69 C ATOM 1155 C SER A 133 6.154 9.379 -1.567 1.00 0.56 C ATOM 1156 O SER A 133 6.280 8.245 -1.131 1.00 0.87 O ATOM 1157 CB SER A 133 4.870 10.176 0.411 1.00 0.95 C ATOM 1158 OG SER A 133 3.594 10.613 0.839 1.00 1.30 O ATOM 0 H SER A 133 3.582 8.840 -1.708 1.00 0.55 H new ATOM 0 HA SER A 133 5.204 11.282 -1.407 1.00 0.69 H new ATOM 0 HB2 SER A 133 5.035 9.150 0.740 1.00 0.95 H new ATOM 0 HB3 SER A 133 5.642 10.788 0.876 1.00 0.95 H new ATOM 0 HG SER A 133 3.537 10.551 1.815 1.00 1.30 H new ATOM 1164 N GLU A 134 6.992 9.900 -2.440 1.00 0.53 N ATOM 1165 CA GLU A 134 8.188 9.180 -2.859 1.00 0.56 C ATOM 1166 C GLU A 134 9.174 9.138 -1.690 1.00 0.58 C ATOM 1167 O GLU A 134 9.353 10.151 -1.023 1.00 1.01 O ATOM 1168 CB GLU A 134 8.770 9.859 -4.108 1.00 0.88 C ATOM 1169 CG GLU A 134 10.282 10.051 -4.099 1.00 0.95 C ATOM 1170 CD GLU A 134 11.031 8.804 -4.520 1.00 1.45 C ATOM 1171 OE1 GLU A 134 10.721 7.713 -3.997 1.00 1.85 O ATOM 1172 OE2 GLU A 134 11.956 8.910 -5.347 1.00 1.80 O ATOM 0 H GLU A 134 6.872 10.815 -2.874 1.00 0.53 H new ATOM 0 HA GLU A 134 7.958 8.149 -3.130 1.00 0.56 H new ATOM 0 HB2 GLU A 134 8.501 9.267 -4.982 1.00 0.88 H new ATOM 0 HB3 GLU A 134 8.297 10.834 -4.225 1.00 0.88 H new ATOM 0 HG2 GLU A 134 10.544 10.871 -4.768 1.00 0.95 H new ATOM 0 HG3 GLU A 134 10.601 10.342 -3.098 1.00 0.95 H new ATOM 1179 N VAL A 135 9.813 7.961 -1.494 1.00 0.43 N ATOM 1180 CA VAL A 135 10.518 7.586 -0.244 1.00 0.38 C ATOM 1181 C VAL A 135 10.437 8.652 0.846 1.00 0.42 C ATOM 1182 O VAL A 135 11.168 9.641 0.823 1.00 0.52 O ATOM 1183 CB VAL A 135 11.991 7.193 -0.476 1.00 0.46 C ATOM 1184 CG1 VAL A 135 12.075 5.744 -0.942 1.00 0.41 C ATOM 1185 CG2 VAL A 135 12.664 8.129 -1.471 1.00 0.62 C ATOM 0 H VAL A 135 9.854 7.235 -2.209 1.00 0.43 H new ATOM 0 HA VAL A 135 9.979 6.707 0.109 1.00 0.38 H new ATOM 0 HB VAL A 135 12.526 7.288 0.469 1.00 0.46 H new ATOM 0 HG11 VAL A 135 13.118 5.474 -1.104 1.00 0.41 H new ATOM 0 HG12 VAL A 135 11.645 5.092 -0.182 1.00 0.41 H new ATOM 0 HG13 VAL A 135 11.522 5.629 -1.874 1.00 0.41 H new ATOM 0 HG21 VAL A 135 13.701 7.825 -1.612 1.00 0.62 H new ATOM 0 HG22 VAL A 135 12.139 8.084 -2.425 1.00 0.62 H new ATOM 0 HG23 VAL A 135 12.634 9.149 -1.088 1.00 0.62 H new ATOM 1195 N LYS A 136 9.530 8.409 1.796 1.00 0.40 N ATOM 1196 CA LYS A 136 9.214 9.316 2.901 1.00 0.50 C ATOM 1197 C LYS A 136 9.191 10.778 2.485 1.00 0.54 C ATOM 1198 O LYS A 136 10.069 11.568 2.829 1.00 0.52 O ATOM 1199 CB LYS A 136 10.069 9.089 4.157 1.00 0.60 C ATOM 1200 CG LYS A 136 11.301 8.212 3.989 1.00 0.59 C ATOM 1201 CD LYS A 136 12.446 8.872 3.233 1.00 1.23 C ATOM 1202 CE LYS A 136 12.700 10.306 3.685 1.00 1.54 C ATOM 1203 NZ LYS A 136 13.021 10.406 5.133 1.00 1.86 N ATOM 0 H LYS A 136 8.980 7.550 1.817 1.00 0.40 H new ATOM 0 HA LYS A 136 8.195 9.054 3.185 1.00 0.50 H new ATOM 0 HB2 LYS A 136 10.390 10.061 4.531 1.00 0.60 H new ATOM 0 HB3 LYS A 136 9.436 8.645 4.925 1.00 0.60 H new ATOM 0 HG2 LYS A 136 11.657 7.914 4.975 1.00 0.59 H new ATOM 0 HG3 LYS A 136 11.014 7.300 3.465 1.00 0.59 H new ATOM 0 HD2 LYS A 136 13.354 8.285 3.372 1.00 1.23 H new ATOM 0 HD3 LYS A 136 12.223 8.866 2.166 1.00 1.23 H new ATOM 0 HE2 LYS A 136 13.523 10.724 3.105 1.00 1.54 H new ATOM 0 HE3 LYS A 136 11.819 10.911 3.470 1.00 1.54 H new ATOM 0 HZ1 LYS A 136 13.689 11.188 5.287 1.00 1.86 H new ATOM 0 HZ2 LYS A 136 12.149 10.585 5.670 1.00 1.86 H new ATOM 0 HZ3 LYS A 136 13.450 9.515 5.456 1.00 1.86 H new