USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 847 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 82 GLN : amide:sc= -0.215 K(o=-0.2,f=-2.1) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 173:sc= 0.0113 (180deg=0) USER MOD Set 2.1: A 20 LYS NZ :NH3+ 179:sc= 0.206 (180deg=-0.703) USER MOD Set 2.2: A 77 ASN : amide:sc= 0.779 K(o=0.99,f=-5.5) USER MOD Set 3.1: A 1 MET CE :methyl -150:sc= 0 (180deg=0) USER MOD Set 3.2: A 48 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.0227 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -145:sc= 0.532 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -2.16! C(o=-2.2!,f=-5.3!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0014 USER MOD Single : A 31 THR OG1 : rot -35:sc= 0.284 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 40 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.055) USER MOD Single : A 43 GLN : amide:sc= -0.748 X(o=-0.75,f=-0.51) USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0275) USER MOD Single : A 45 LYS NZ :NH3+ 142:sc= -0.336 (180deg=-1.98!) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= -0.0109 (180deg=-0.127) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0064 USER MOD Single : A 58 LYS NZ :NH3+ -137:sc= -0.114 (180deg=-1.58!) USER MOD Single : A 61 GLN : amide:sc= -0.0365 X(o=-0.037,f=-0.48) USER MOD Single : A 62 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.446) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.46 X(o=-0.46,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.0148 X(o=-0.015,f=-0.21) USER MOD Single : A 70 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.59) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.007 USER MOD Single : A 76 SER OG : rot -128:sc= 0.519 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.0068 X(o=-0.0068,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc=-0.000734 X(o=-0.00073,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.17) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.043 13.335 -11.573 1.00 72.31 N ATOM 2 CA MET A 1 3.147 12.623 -10.891 1.00 1.03 C ATOM 3 C MET A 1 2.866 12.533 -9.378 1.00 4.12 C ATOM 4 O MET A 1 2.371 13.494 -8.785 1.00 12.13 O ATOM 5 CB MET A 1 4.499 13.335 -11.172 1.00 11.13 C ATOM 6 CG MET A 1 5.731 12.692 -10.513 1.00 13.31 C ATOM 7 SD MET A 1 7.261 13.543 -10.964 1.00 24.53 S ATOM 8 CE MET A 1 8.457 12.685 -9.941 1.00 55.10 C ATOM 0 H1 MET A 1 2.435 13.977 -12.292 1.00 72.31 H new ATOM 0 H2 MET A 1 1.415 12.644 -12.031 1.00 72.31 H new ATOM 0 H3 MET A 1 1.502 13.885 -10.876 1.00 72.31 H new ATOM 0 HA MET A 1 3.214 11.608 -11.283 1.00 1.03 H new ATOM 0 HB2 MET A 1 4.658 13.364 -12.250 1.00 11.13 H new ATOM 0 HB3 MET A 1 4.424 14.368 -10.833 1.00 11.13 H new ATOM 0 HG2 MET A 1 5.613 12.708 -9.430 1.00 13.31 H new ATOM 0 HG3 MET A 1 5.797 11.645 -10.811 1.00 13.31 H new ATOM 0 HE1 MET A 1 9.270 13.364 -9.685 1.00 55.10 H new ATOM 0 HE2 MET A 1 7.973 12.338 -9.028 1.00 55.10 H new ATOM 0 HE3 MET A 1 8.856 11.830 -10.487 1.00 55.10 H new ATOM 20 N GLY A 2 3.172 11.363 -8.780 1.00 33.53 N ATOM 21 CA GLY A 2 3.030 11.138 -7.337 1.00 31.41 C ATOM 22 C GLY A 2 1.757 10.373 -7.001 1.00 73.22 C ATOM 23 O GLY A 2 0.751 10.973 -6.620 1.00 24.11 O ATOM 0 H GLY A 2 3.524 10.552 -9.288 1.00 33.53 H new ATOM 0 HA2 GLY A 2 3.894 10.583 -6.970 1.00 31.41 H new ATOM 0 HA3 GLY A 2 3.024 12.097 -6.819 1.00 31.41 H new ATOM 27 N ARG A 3 1.793 9.041 -7.178 1.00 51.52 N ATOM 28 CA ARG A 3 0.671 8.147 -6.821 1.00 73.10 C ATOM 29 C ARG A 3 0.804 7.687 -5.364 1.00 71.43 C ATOM 30 O ARG A 3 1.890 7.737 -4.790 1.00 1.51 O ATOM 31 CB ARG A 3 0.650 6.899 -7.753 1.00 45.45 C ATOM 32 CG ARG A 3 0.417 7.170 -9.258 1.00 20.02 C ATOM 33 CD ARG A 3 -0.991 7.718 -9.594 1.00 13.04 C ATOM 34 NE ARG A 3 -1.167 9.141 -9.221 1.00 73.10 N ATOM 35 CZ ARG A 3 -2.201 9.639 -8.522 1.00 70.14 C ATOM 36 NH1 ARG A 3 -3.183 8.857 -8.075 1.00 1.55 N ATOM 37 NH2 ARG A 3 -2.251 10.937 -8.270 1.00 5.15 N ATOM 0 H ARG A 3 2.597 8.552 -7.571 1.00 51.52 H new ATOM 0 HA ARG A 3 -0.259 8.702 -6.944 1.00 73.10 H new ATOM 0 HB2 ARG A 3 1.599 6.374 -7.643 1.00 45.45 H new ATOM 0 HB3 ARG A 3 -0.130 6.224 -7.402 1.00 45.45 H new ATOM 0 HG2 ARG A 3 1.165 7.882 -9.607 1.00 20.02 H new ATOM 0 HG3 ARG A 3 0.576 6.244 -9.811 1.00 20.02 H new ATOM 0 HD2 ARG A 3 -1.173 7.604 -10.663 1.00 13.04 H new ATOM 0 HD3 ARG A 3 -1.740 7.118 -9.077 1.00 13.04 H new ATOM 0 HE ARG A 3 -0.444 9.796 -9.519 1.00 73.10 H new ATOM 0 HH11 ARG A 3 -3.161 7.854 -8.261 1.00 1.55 H new ATOM 0 HH12 ARG A 3 -3.956 9.261 -7.547 1.00 1.55 H new ATOM 0 HH21 ARG A 3 -1.509 11.551 -8.606 1.00 5.15 H new ATOM 0 HH22 ARG A 3 -3.032 11.324 -7.740 1.00 5.15 H new ATOM 51 N LEU A 4 -0.321 7.274 -4.766 1.00 1.33 N ATOM 52 CA LEU A 4 -0.336 6.527 -3.495 1.00 71.42 C ATOM 53 C LEU A 4 -0.818 5.103 -3.768 1.00 43.14 C ATOM 54 O LEU A 4 -1.909 4.908 -4.320 1.00 52.04 O ATOM 55 CB LEU A 4 -1.268 7.205 -2.460 1.00 1.43 C ATOM 56 CG LEU A 4 -1.332 6.541 -1.042 1.00 43.45 C ATOM 57 CD1 LEU A 4 0.036 6.598 -0.337 1.00 50.15 C ATOM 58 CD2 LEU A 4 -2.436 7.177 -0.169 1.00 51.01 C ATOM 0 H LEU A 4 -1.250 7.447 -5.149 1.00 1.33 H new ATOM 0 HA LEU A 4 0.672 6.513 -3.081 1.00 71.42 H new ATOM 0 HB2 LEU A 4 -0.949 8.240 -2.339 1.00 1.43 H new ATOM 0 HB3 LEU A 4 -2.277 7.229 -2.872 1.00 1.43 H new ATOM 0 HG LEU A 4 -1.590 5.492 -1.184 1.00 43.45 H new ATOM 0 HD11 LEU A 4 -0.041 6.130 0.644 1.00 50.15 H new ATOM 0 HD12 LEU A 4 0.776 6.067 -0.936 1.00 50.15 H new ATOM 0 HD13 LEU A 4 0.342 7.638 -0.220 1.00 50.15 H new ATOM 0 HD21 LEU A 4 -2.452 6.692 0.807 1.00 51.01 H new ATOM 0 HD22 LEU A 4 -2.233 8.240 -0.043 1.00 51.01 H new ATOM 0 HD23 LEU A 4 -3.403 7.048 -0.654 1.00 51.01 H new ATOM 70 N VAL A 5 0.006 4.115 -3.409 1.00 42.34 N ATOM 71 CA VAL A 5 -0.379 2.700 -3.462 1.00 31.13 C ATOM 72 C VAL A 5 -0.635 2.215 -2.034 1.00 30.33 C ATOM 73 O VAL A 5 0.241 2.308 -1.173 1.00 2.25 O ATOM 74 CB VAL A 5 0.706 1.801 -4.161 1.00 10.12 C ATOM 75 CG1 VAL A 5 0.265 0.317 -4.200 1.00 54.23 C ATOM 76 CG2 VAL A 5 1.007 2.317 -5.584 1.00 33.50 C ATOM 0 H VAL A 5 0.957 4.272 -3.074 1.00 42.34 H new ATOM 0 HA VAL A 5 -1.282 2.613 -4.066 1.00 31.13 H new ATOM 0 HB VAL A 5 1.621 1.862 -3.571 1.00 10.12 H new ATOM 0 HG11 VAL A 5 1.036 -0.279 -4.689 1.00 54.23 H new ATOM 0 HG12 VAL A 5 0.117 -0.045 -3.183 1.00 54.23 H new ATOM 0 HG13 VAL A 5 -0.669 0.229 -4.756 1.00 54.23 H new ATOM 0 HG21 VAL A 5 1.760 1.681 -6.050 1.00 33.50 H new ATOM 0 HG22 VAL A 5 0.094 2.295 -6.180 1.00 33.50 H new ATOM 0 HG23 VAL A 5 1.380 3.340 -5.529 1.00 33.50 H new ATOM 86 N VAL A 6 -1.856 1.742 -1.787 1.00 31.31 N ATOM 87 CA VAL A 6 -2.253 1.154 -0.510 1.00 24.03 C ATOM 88 C VAL A 6 -2.217 -0.366 -0.679 1.00 21.34 C ATOM 89 O VAL A 6 -2.952 -0.914 -1.480 1.00 44.55 O ATOM 90 CB VAL A 6 -3.689 1.621 -0.082 1.00 41.05 C ATOM 91 CG1 VAL A 6 -4.068 1.080 1.317 1.00 72.01 C ATOM 92 CG2 VAL A 6 -3.817 3.165 -0.154 1.00 31.24 C ATOM 0 H VAL A 6 -2.606 1.757 -2.478 1.00 31.31 H new ATOM 0 HA VAL A 6 -1.570 1.478 0.275 1.00 24.03 H new ATOM 0 HB VAL A 6 -4.401 1.199 -0.791 1.00 41.05 H new ATOM 0 HG11 VAL A 6 -5.068 1.423 1.581 1.00 72.01 H new ATOM 0 HG12 VAL A 6 -4.050 -0.010 1.303 1.00 72.01 H new ATOM 0 HG13 VAL A 6 -3.353 1.445 2.054 1.00 72.01 H new ATOM 0 HG21 VAL A 6 -4.822 3.461 0.148 1.00 31.24 H new ATOM 0 HG22 VAL A 6 -3.088 3.622 0.515 1.00 31.24 H new ATOM 0 HG23 VAL A 6 -3.632 3.498 -1.175 1.00 31.24 H new ATOM 102 N VAL A 7 -1.314 -1.028 0.014 1.00 55.51 N ATOM 103 CA VAL A 7 -1.156 -2.474 -0.059 1.00 74.23 C ATOM 104 C VAL A 7 -1.864 -3.100 1.136 1.00 64.12 C ATOM 105 O VAL A 7 -1.602 -2.725 2.273 1.00 34.33 O ATOM 106 CB VAL A 7 0.351 -2.864 -0.061 1.00 73.44 C ATOM 107 CG1 VAL A 7 0.560 -4.377 -0.259 1.00 73.51 C ATOM 108 CG2 VAL A 7 1.136 -2.039 -1.104 1.00 24.14 C ATOM 0 H VAL A 7 -0.659 -0.576 0.652 1.00 55.51 H new ATOM 0 HA VAL A 7 -1.595 -2.843 -0.986 1.00 74.23 H new ATOM 0 HB VAL A 7 0.749 -2.621 0.924 1.00 73.44 H new ATOM 0 HG11 VAL A 7 1.627 -4.601 -0.253 1.00 73.51 H new ATOM 0 HG12 VAL A 7 0.071 -4.921 0.549 1.00 73.51 H new ATOM 0 HG13 VAL A 7 0.130 -4.682 -1.213 1.00 73.51 H new ATOM 0 HG21 VAL A 7 2.186 -2.332 -1.084 1.00 24.14 H new ATOM 0 HG22 VAL A 7 0.727 -2.224 -2.097 1.00 24.14 H new ATOM 0 HG23 VAL A 7 1.051 -0.978 -0.868 1.00 24.14 H new ATOM 118 N VAL A 8 -2.762 -4.042 0.870 1.00 60.32 N ATOM 119 CA VAL A 8 -3.558 -4.720 1.899 1.00 1.15 C ATOM 120 C VAL A 8 -3.353 -6.231 1.779 1.00 54.32 C ATOM 121 O VAL A 8 -2.963 -6.733 0.719 1.00 75.54 O ATOM 122 CB VAL A 8 -5.088 -4.378 1.759 1.00 4.33 C ATOM 123 CG1 VAL A 8 -5.358 -2.866 1.981 1.00 32.50 C ATOM 124 CG2 VAL A 8 -5.631 -4.839 0.389 1.00 41.14 C ATOM 0 H VAL A 8 -2.964 -4.364 -0.077 1.00 60.32 H new ATOM 0 HA VAL A 8 -3.225 -4.373 2.877 1.00 1.15 H new ATOM 0 HB VAL A 8 -5.619 -4.924 2.539 1.00 4.33 H new ATOM 0 HG11 VAL A 8 -6.425 -2.668 1.877 1.00 32.50 H new ATOM 0 HG12 VAL A 8 -5.032 -2.581 2.981 1.00 32.50 H new ATOM 0 HG13 VAL A 8 -4.807 -2.286 1.241 1.00 32.50 H new ATOM 0 HG21 VAL A 8 -6.690 -4.592 0.316 1.00 41.14 H new ATOM 0 HG22 VAL A 8 -5.085 -4.334 -0.408 1.00 41.14 H new ATOM 0 HG23 VAL A 8 -5.502 -5.917 0.291 1.00 41.14 H new ATOM 134 N THR A 9 -3.588 -6.942 2.877 1.00 33.45 N ATOM 135 CA THR A 9 -3.577 -8.416 2.901 1.00 22.04 C ATOM 136 C THR A 9 -5.010 -8.971 3.032 1.00 22.24 C ATOM 137 O THR A 9 -5.192 -10.158 3.304 1.00 2.34 O ATOM 138 CB THR A 9 -2.671 -8.930 4.070 1.00 52.21 C ATOM 139 OG1 THR A 9 -3.080 -8.314 5.301 1.00 72.13 O ATOM 140 CG2 THR A 9 -1.172 -8.639 3.820 1.00 21.32 C ATOM 0 H THR A 9 -3.793 -6.519 3.782 1.00 33.45 H new ATOM 0 HA THR A 9 -3.163 -8.776 1.959 1.00 22.04 H new ATOM 0 HB THR A 9 -2.792 -10.012 4.128 1.00 52.21 H new ATOM 0 HG1 THR A 9 -2.295 -8.160 5.866 1.00 72.13 H new ATOM 0 HG21 THR A 9 -0.584 -9.014 4.658 1.00 21.32 H new ATOM 0 HG22 THR A 9 -0.853 -9.134 2.903 1.00 21.32 H new ATOM 0 HG23 THR A 9 -1.021 -7.564 3.723 1.00 21.32 H new ATOM 148 N SER A 10 -6.030 -8.108 2.818 1.00 13.41 N ATOM 149 CA SER A 10 -7.452 -8.501 2.907 1.00 1.33 C ATOM 150 C SER A 10 -8.287 -7.761 1.842 1.00 74.41 C ATOM 151 O SER A 10 -8.131 -6.544 1.661 1.00 20.55 O ATOM 152 CB SER A 10 -7.998 -8.183 4.320 1.00 5.21 C ATOM 153 OG SER A 10 -7.228 -8.802 5.335 1.00 44.40 O ATOM 0 H SER A 10 -5.890 -7.126 2.580 1.00 13.41 H new ATOM 0 HA SER A 10 -7.529 -9.573 2.724 1.00 1.33 H new ATOM 0 HB2 SER A 10 -8.001 -7.104 4.474 1.00 5.21 H new ATOM 0 HB3 SER A 10 -9.033 -8.518 4.394 1.00 5.21 H new ATOM 0 HG SER A 10 -7.602 -8.577 6.212 1.00 44.40 H new ATOM 159 N GLU A 11 -9.167 -8.518 1.152 1.00 63.24 N ATOM 160 CA GLU A 11 -10.076 -7.990 0.108 1.00 61.30 C ATOM 161 C GLU A 11 -11.015 -6.913 0.687 1.00 43.20 C ATOM 162 O GLU A 11 -11.317 -5.918 0.022 1.00 53.13 O ATOM 163 CB GLU A 11 -10.948 -9.116 -0.531 1.00 15.31 C ATOM 164 CG GLU A 11 -10.184 -10.250 -1.253 1.00 1.13 C ATOM 165 CD GLU A 11 -9.518 -11.267 -0.309 1.00 12.45 C ATOM 166 OE1 GLU A 11 -10.211 -12.200 0.153 1.00 72.42 O ATOM 167 OE2 GLU A 11 -8.312 -11.128 -0.005 1.00 70.12 O ATOM 0 H GLU A 11 -9.268 -9.521 1.304 1.00 63.24 H new ATOM 0 HA GLU A 11 -9.440 -7.555 -0.662 1.00 61.30 H new ATOM 0 HB2 GLU A 11 -11.559 -9.562 0.254 1.00 15.31 H new ATOM 0 HB3 GLU A 11 -11.631 -8.656 -1.245 1.00 15.31 H new ATOM 0 HG2 GLU A 11 -10.877 -10.779 -1.908 1.00 1.13 H new ATOM 0 HG3 GLU A 11 -9.418 -9.808 -1.890 1.00 1.13 H new ATOM 174 N GLN A 12 -11.460 -7.154 1.935 1.00 4.32 N ATOM 175 CA GLN A 12 -12.365 -6.261 2.680 1.00 42.45 C ATOM 176 C GLN A 12 -11.705 -4.899 2.960 1.00 71.44 C ATOM 177 O GLN A 12 -12.359 -3.863 2.859 1.00 51.24 O ATOM 178 CB GLN A 12 -12.809 -6.944 4.001 1.00 41.33 C ATOM 179 CG GLN A 12 -13.638 -8.227 3.797 1.00 54.52 C ATOM 180 CD GLN A 12 -14.041 -8.894 5.112 1.00 32.22 C ATOM 181 OE1 GLN A 12 -15.095 -8.602 5.681 1.00 4.31 O ATOM 182 NE2 GLN A 12 -13.203 -9.792 5.616 1.00 24.54 N ATOM 0 H GLN A 12 -11.196 -7.987 2.461 1.00 4.32 H new ATOM 0 HA GLN A 12 -13.246 -6.073 2.066 1.00 42.45 H new ATOM 0 HB2 GLN A 12 -11.923 -7.186 4.588 1.00 41.33 H new ATOM 0 HB3 GLN A 12 -13.395 -6.235 4.585 1.00 41.33 H new ATOM 0 HG2 GLN A 12 -14.536 -7.986 3.228 1.00 54.52 H new ATOM 0 HG3 GLN A 12 -13.062 -8.934 3.199 1.00 54.52 H new ATOM 0 HE21 GLN A 12 -12.338 -10.015 5.124 1.00 24.54 H new ATOM 0 HE22 GLN A 12 -13.425 -10.259 6.495 1.00 24.54 H new ATOM 191 N LEU A 13 -10.395 -4.923 3.296 1.00 20.50 N ATOM 192 CA LEU A 13 -9.595 -3.698 3.514 1.00 13.32 C ATOM 193 C LEU A 13 -9.392 -2.938 2.186 1.00 55.30 C ATOM 194 O LEU A 13 -9.431 -1.709 2.167 1.00 15.50 O ATOM 195 CB LEU A 13 -8.220 -4.039 4.165 1.00 70.43 C ATOM 196 CG LEU A 13 -8.269 -4.644 5.605 1.00 70.41 C ATOM 197 CD1 LEU A 13 -6.857 -5.036 6.097 1.00 20.13 C ATOM 198 CD2 LEU A 13 -8.960 -3.681 6.597 1.00 51.22 C ATOM 0 H LEU A 13 -9.867 -5.786 3.423 1.00 20.50 H new ATOM 0 HA LEU A 13 -10.144 -3.053 4.200 1.00 13.32 H new ATOM 0 HB2 LEU A 13 -7.699 -4.742 3.516 1.00 70.43 H new ATOM 0 HB3 LEU A 13 -7.621 -3.129 4.196 1.00 70.43 H new ATOM 0 HG LEU A 13 -8.868 -5.554 5.559 1.00 70.41 H new ATOM 0 HD11 LEU A 13 -6.925 -5.454 7.102 1.00 20.13 H new ATOM 0 HD12 LEU A 13 -6.430 -5.779 5.423 1.00 20.13 H new ATOM 0 HD13 LEU A 13 -6.219 -4.152 6.114 1.00 20.13 H new ATOM 0 HD21 LEU A 13 -8.978 -4.132 7.589 1.00 51.22 H new ATOM 0 HD22 LEU A 13 -8.409 -2.741 6.635 1.00 51.22 H new ATOM 0 HD23 LEU A 13 -9.981 -3.490 6.267 1.00 51.22 H new ATOM 210 N LYS A 14 -9.195 -3.698 1.084 1.00 1.54 N ATOM 211 CA LYS A 14 -9.000 -3.139 -0.274 1.00 40.13 C ATOM 212 C LYS A 14 -10.205 -2.291 -0.707 1.00 42.05 C ATOM 213 O LYS A 14 -10.081 -1.087 -0.974 1.00 31.24 O ATOM 214 CB LYS A 14 -8.783 -4.288 -1.299 1.00 12.11 C ATOM 215 CG LYS A 14 -8.541 -3.822 -2.758 1.00 4.14 C ATOM 216 CD LYS A 14 -8.590 -4.982 -3.776 1.00 11.23 C ATOM 217 CE LYS A 14 -9.987 -5.627 -3.872 1.00 24.45 C ATOM 218 NZ LYS A 14 -10.024 -6.700 -4.902 1.00 32.55 N ATOM 0 H LYS A 14 -9.167 -4.717 1.111 1.00 1.54 H new ATOM 0 HA LYS A 14 -8.118 -2.499 -0.246 1.00 40.13 H new ATOM 0 HB2 LYS A 14 -7.930 -4.886 -0.978 1.00 12.11 H new ATOM 0 HB3 LYS A 14 -9.655 -4.941 -1.281 1.00 12.11 H new ATOM 0 HG2 LYS A 14 -9.292 -3.079 -3.026 1.00 4.14 H new ATOM 0 HG3 LYS A 14 -7.570 -3.331 -2.821 1.00 4.14 H new ATOM 0 HD2 LYS A 14 -8.297 -4.611 -4.758 1.00 11.23 H new ATOM 0 HD3 LYS A 14 -7.862 -5.742 -3.491 1.00 11.23 H new ATOM 0 HE2 LYS A 14 -10.264 -6.042 -2.903 1.00 24.45 H new ATOM 0 HE3 LYS A 14 -10.726 -4.863 -4.115 1.00 24.45 H new ATOM 0 HZ1 LYS A 14 -10.978 -7.112 -4.940 1.00 32.55 H new ATOM 0 HZ2 LYS A 14 -9.783 -6.298 -5.831 1.00 32.55 H new ATOM 0 HZ3 LYS A 14 -9.337 -7.441 -4.656 1.00 32.55 H new ATOM 232 N GLU A 15 -11.369 -2.956 -0.737 1.00 13.25 N ATOM 233 CA GLU A 15 -12.623 -2.373 -1.221 1.00 51.11 C ATOM 234 C GLU A 15 -13.127 -1.274 -0.262 1.00 13.35 C ATOM 235 O GLU A 15 -13.898 -0.425 -0.672 1.00 2.24 O ATOM 236 CB GLU A 15 -13.684 -3.489 -1.409 1.00 1.24 C ATOM 237 CG GLU A 15 -14.150 -4.163 -0.098 1.00 32.31 C ATOM 238 CD GLU A 15 -15.057 -5.383 -0.327 1.00 44.03 C ATOM 239 OE1 GLU A 15 -16.223 -5.194 -0.733 1.00 71.10 O ATOM 240 OE2 GLU A 15 -14.610 -6.531 -0.113 1.00 13.13 O ATOM 0 H GLU A 15 -11.464 -3.922 -0.423 1.00 13.25 H new ATOM 0 HA GLU A 15 -12.443 -1.902 -2.187 1.00 51.11 H new ATOM 0 HB2 GLU A 15 -14.553 -3.065 -1.912 1.00 1.24 H new ATOM 0 HB3 GLU A 15 -13.275 -4.254 -2.069 1.00 1.24 H new ATOM 0 HG2 GLU A 15 -13.275 -4.472 0.474 1.00 32.31 H new ATOM 0 HG3 GLU A 15 -14.684 -3.431 0.508 1.00 32.31 H new ATOM 247 N GLU A 16 -12.674 -1.315 1.014 1.00 63.33 N ATOM 248 CA GLU A 16 -12.995 -0.285 2.024 1.00 31.24 C ATOM 249 C GLU A 16 -12.265 1.033 1.716 1.00 5.02 C ATOM 250 O GLU A 16 -12.893 2.100 1.671 1.00 25.02 O ATOM 251 CB GLU A 16 -12.611 -0.775 3.442 1.00 50.42 C ATOM 252 CG GLU A 16 -12.963 0.220 4.566 1.00 70.21 C ATOM 253 CD GLU A 16 -12.466 -0.230 5.943 1.00 11.53 C ATOM 254 OE1 GLU A 16 -11.298 0.054 6.282 1.00 55.12 O ATOM 255 OE2 GLU A 16 -13.233 -0.868 6.697 1.00 74.11 O ATOM 0 H GLU A 16 -12.077 -2.062 1.369 1.00 63.33 H new ATOM 0 HA GLU A 16 -14.070 -0.106 1.987 1.00 31.24 H new ATOM 0 HB2 GLU A 16 -13.116 -1.721 3.637 1.00 50.42 H new ATOM 0 HB3 GLU A 16 -11.540 -0.974 3.469 1.00 50.42 H new ATOM 0 HG2 GLU A 16 -12.531 1.193 4.330 1.00 70.21 H new ATOM 0 HG3 GLU A 16 -14.044 0.351 4.602 1.00 70.21 H new ATOM 262 N VAL A 17 -10.928 0.941 1.528 1.00 64.33 N ATOM 263 CA VAL A 17 -10.088 2.099 1.167 1.00 53.30 C ATOM 264 C VAL A 17 -10.611 2.753 -0.127 1.00 42.32 C ATOM 265 O VAL A 17 -10.672 3.975 -0.216 1.00 31.44 O ATOM 266 CB VAL A 17 -8.563 1.700 1.005 1.00 15.43 C ATOM 267 CG1 VAL A 17 -7.712 2.898 0.521 1.00 52.33 C ATOM 268 CG2 VAL A 17 -7.979 1.137 2.323 1.00 64.22 C ATOM 0 H VAL A 17 -10.408 0.069 1.622 1.00 64.33 H new ATOM 0 HA VAL A 17 -10.151 2.817 1.985 1.00 53.30 H new ATOM 0 HB VAL A 17 -8.522 0.917 0.248 1.00 15.43 H new ATOM 0 HG11 VAL A 17 -6.672 2.588 0.421 1.00 52.33 H new ATOM 0 HG12 VAL A 17 -8.083 3.241 -0.445 1.00 52.33 H new ATOM 0 HG13 VAL A 17 -7.781 3.710 1.245 1.00 52.33 H new ATOM 0 HG21 VAL A 17 -6.932 0.874 2.174 1.00 64.22 H new ATOM 0 HG22 VAL A 17 -8.056 1.891 3.106 1.00 64.22 H new ATOM 0 HG23 VAL A 17 -8.537 0.249 2.618 1.00 64.22 H new ATOM 278 N ARG A 18 -11.027 1.922 -1.106 1.00 2.33 N ATOM 279 CA ARG A 18 -11.555 2.423 -2.393 1.00 53.25 C ATOM 280 C ARG A 18 -13.044 2.814 -2.324 1.00 22.43 C ATOM 281 O ARG A 18 -13.534 3.523 -3.206 1.00 74.04 O ATOM 282 CB ARG A 18 -11.311 1.416 -3.534 1.00 72.31 C ATOM 283 CG ARG A 18 -9.832 0.995 -3.682 1.00 0.30 C ATOM 284 CD ARG A 18 -9.472 0.537 -5.096 1.00 10.04 C ATOM 285 NE ARG A 18 -9.541 1.658 -6.054 1.00 11.12 N ATOM 286 CZ ARG A 18 -9.893 1.557 -7.340 1.00 51.34 C ATOM 287 NH1 ARG A 18 -10.225 0.383 -7.868 1.00 53.42 N ATOM 288 NH2 ARG A 18 -9.935 2.646 -8.091 1.00 60.15 N ATOM 0 H ARG A 18 -11.008 0.905 -1.030 1.00 2.33 H new ATOM 0 HA ARG A 18 -10.998 3.335 -2.609 1.00 53.25 H new ATOM 0 HB2 ARG A 18 -11.917 0.527 -3.359 1.00 72.31 H new ATOM 0 HB3 ARG A 18 -11.651 1.854 -4.473 1.00 72.31 H new ATOM 0 HG2 ARG A 18 -9.193 1.834 -3.406 1.00 0.30 H new ATOM 0 HG3 ARG A 18 -9.619 0.188 -2.981 1.00 0.30 H new ATOM 0 HD2 ARG A 18 -8.468 0.114 -5.099 1.00 10.04 H new ATOM 0 HD3 ARG A 18 -10.153 -0.255 -5.409 1.00 10.04 H new ATOM 0 HE ARG A 18 -9.300 2.586 -5.706 1.00 11.12 H new ATOM 0 HH11 ARG A 18 -10.214 -0.458 -7.290 1.00 53.42 H new ATOM 0 HH12 ARG A 18 -10.491 0.323 -8.851 1.00 53.42 H new ATOM 0 HH21 ARG A 18 -9.700 3.553 -7.688 1.00 60.15 H new ATOM 0 HH22 ARG A 18 -10.202 2.578 -9.073 1.00 60.15 H new ATOM 302 N LYS A 19 -13.765 2.339 -1.291 1.00 2.13 N ATOM 303 CA LYS A 19 -15.161 2.767 -1.014 1.00 1.12 C ATOM 304 C LYS A 19 -15.154 4.235 -0.565 1.00 34.53 C ATOM 305 O LYS A 19 -16.022 5.035 -0.947 1.00 62.22 O ATOM 306 CB LYS A 19 -15.784 1.860 0.091 1.00 35.51 C ATOM 307 CG LYS A 19 -17.234 2.174 0.552 1.00 41.00 C ATOM 308 CD LYS A 19 -18.354 1.813 -0.478 1.00 1.25 C ATOM 309 CE LYS A 19 -18.632 2.921 -1.513 1.00 74.51 C ATOM 310 NZ LYS A 19 -19.824 2.614 -2.348 1.00 31.34 N ATOM 0 H LYS A 19 -13.406 1.653 -0.627 1.00 2.13 H new ATOM 0 HA LYS A 19 -15.764 2.671 -1.917 1.00 1.12 H new ATOM 0 HB2 LYS A 19 -15.762 0.831 -0.268 1.00 35.51 H new ATOM 0 HB3 LYS A 19 -15.137 1.906 0.967 1.00 35.51 H new ATOM 0 HG2 LYS A 19 -17.428 1.635 1.479 1.00 41.00 H new ATOM 0 HG3 LYS A 19 -17.303 3.237 0.781 1.00 41.00 H new ATOM 0 HD2 LYS A 19 -18.070 0.901 -1.004 1.00 1.25 H new ATOM 0 HD3 LYS A 19 -19.275 1.595 0.063 1.00 1.25 H new ATOM 0 HE2 LYS A 19 -18.784 3.869 -0.998 1.00 74.51 H new ATOM 0 HE3 LYS A 19 -17.760 3.044 -2.156 1.00 74.51 H new ATOM 0 HZ1 LYS A 19 -19.977 3.383 -3.031 1.00 31.34 H new ATOM 0 HZ2 LYS A 19 -19.669 1.722 -2.860 1.00 31.34 H new ATOM 0 HZ3 LYS A 19 -20.661 2.522 -1.738 1.00 31.34 H new ATOM 324 N LYS A 20 -14.144 4.565 0.244 1.00 75.51 N ATOM 325 CA LYS A 20 -13.944 5.913 0.773 1.00 43.23 C ATOM 326 C LYS A 20 -13.132 6.771 -0.211 1.00 44.01 C ATOM 327 O LYS A 20 -13.317 7.987 -0.265 1.00 33.23 O ATOM 328 CB LYS A 20 -13.229 5.824 2.142 1.00 51.21 C ATOM 329 CG LYS A 20 -13.969 4.934 3.172 1.00 40.13 C ATOM 330 CD LYS A 20 -13.311 4.950 4.569 1.00 21.21 C ATOM 331 CE LYS A 20 -13.325 6.351 5.205 1.00 34.33 C ATOM 332 NZ LYS A 20 -12.822 6.336 6.598 1.00 12.31 N ATOM 0 H LYS A 20 -13.437 3.897 0.552 1.00 75.51 H new ATOM 0 HA LYS A 20 -14.914 6.392 0.906 1.00 43.23 H new ATOM 0 HB2 LYS A 20 -12.223 5.432 1.992 1.00 51.21 H new ATOM 0 HB3 LYS A 20 -13.122 6.828 2.553 1.00 51.21 H new ATOM 0 HG2 LYS A 20 -15.002 5.272 3.259 1.00 40.13 H new ATOM 0 HG3 LYS A 20 -13.999 3.909 2.803 1.00 40.13 H new ATOM 0 HD2 LYS A 20 -13.834 4.252 5.222 1.00 21.21 H new ATOM 0 HD3 LYS A 20 -12.282 4.601 4.487 1.00 21.21 H new ATOM 0 HE2 LYS A 20 -12.714 7.026 4.607 1.00 34.33 H new ATOM 0 HE3 LYS A 20 -14.341 6.745 5.191 1.00 34.33 H new ATOM 0 HZ1 LYS A 20 -12.833 7.303 6.982 1.00 12.31 H new ATOM 0 HZ2 LYS A 20 -13.430 5.726 7.180 1.00 12.31 H new ATOM 0 HZ3 LYS A 20 -11.849 5.969 6.612 1.00 12.31 H new ATOM 346 N PHE A 21 -12.235 6.125 -0.995 1.00 31.03 N ATOM 347 CA PHE A 21 -11.327 6.816 -1.943 1.00 71.30 C ATOM 348 C PHE A 21 -11.201 6.000 -3.257 1.00 0.20 C ATOM 349 O PHE A 21 -10.259 5.214 -3.411 1.00 4.00 O ATOM 350 CB PHE A 21 -9.906 7.019 -1.326 1.00 64.42 C ATOM 351 CG PHE A 21 -9.885 7.587 0.085 1.00 13.22 C ATOM 352 CD1 PHE A 21 -10.124 8.941 0.319 1.00 11.11 C ATOM 353 CD2 PHE A 21 -9.618 6.766 1.182 1.00 62.00 C ATOM 354 CE1 PHE A 21 -10.103 9.450 1.603 1.00 54.31 C ATOM 355 CE2 PHE A 21 -9.602 7.279 2.458 1.00 15.12 C ATOM 356 CZ PHE A 21 -9.837 8.616 2.667 1.00 25.30 C ATOM 0 H PHE A 21 -12.121 5.111 -0.988 1.00 31.03 H new ATOM 0 HA PHE A 21 -11.757 7.795 -2.156 1.00 71.30 H new ATOM 0 HB2 PHE A 21 -9.390 6.059 -1.321 1.00 64.42 H new ATOM 0 HB3 PHE A 21 -9.337 7.684 -1.976 1.00 64.42 H new ATOM 0 HD1 PHE A 21 -10.328 9.599 -0.513 1.00 11.11 H new ATOM 0 HD2 PHE A 21 -9.422 5.715 1.027 1.00 62.00 H new ATOM 0 HE1 PHE A 21 -10.295 10.499 1.772 1.00 54.31 H new ATOM 0 HE2 PHE A 21 -9.404 6.629 3.298 1.00 15.12 H new ATOM 0 HZ PHE A 21 -9.813 9.015 3.670 1.00 25.30 H new ATOM 366 N PRO A 22 -12.161 6.149 -4.221 1.00 61.41 N ATOM 367 CA PRO A 22 -12.088 5.448 -5.539 1.00 22.14 C ATOM 368 C PRO A 22 -10.931 5.954 -6.437 1.00 13.51 C ATOM 369 O PRO A 22 -10.630 5.343 -7.475 1.00 13.11 O ATOM 370 CB PRO A 22 -13.481 5.739 -6.163 1.00 31.40 C ATOM 371 CG PRO A 22 -13.933 7.019 -5.519 1.00 51.24 C ATOM 372 CD PRO A 22 -13.403 6.970 -4.099 1.00 43.32 C ATOM 0 HA PRO A 22 -11.873 4.385 -5.432 1.00 22.14 H new ATOM 0 HB2 PRO A 22 -13.415 5.843 -7.246 1.00 31.40 H new ATOM 0 HB3 PRO A 22 -14.181 4.928 -5.963 1.00 31.40 H new ATOM 0 HG2 PRO A 22 -13.543 7.886 -6.053 1.00 51.24 H new ATOM 0 HG3 PRO A 22 -15.020 7.101 -5.529 1.00 51.24 H new ATOM 0 HD2 PRO A 22 -13.189 7.968 -3.715 1.00 43.32 H new ATOM 0 HD3 PRO A 22 -14.121 6.514 -3.418 1.00 43.32 H new ATOM 380 N GLN A 23 -10.278 7.058 -6.012 1.00 1.33 N ATOM 381 CA GLN A 23 -9.177 7.690 -6.761 1.00 64.52 C ATOM 382 C GLN A 23 -7.840 6.963 -6.514 1.00 25.23 C ATOM 383 O GLN A 23 -6.983 6.928 -7.400 1.00 31.55 O ATOM 384 CB GLN A 23 -9.016 9.200 -6.383 1.00 43.01 C ATOM 385 CG GLN A 23 -8.590 9.499 -4.913 1.00 71.04 C ATOM 386 CD GLN A 23 -9.746 9.673 -3.924 1.00 12.13 C ATOM 387 OE1 GLN A 23 -10.855 9.190 -4.138 1.00 24.50 O ATOM 388 NE2 GLN A 23 -9.471 10.305 -2.795 1.00 30.24 N ATOM 0 H GLN A 23 -10.502 7.534 -5.138 1.00 1.33 H new ATOM 0 HA GLN A 23 -9.436 7.615 -7.817 1.00 64.52 H new ATOM 0 HB2 GLN A 23 -8.278 9.644 -7.051 1.00 43.01 H new ATOM 0 HB3 GLN A 23 -9.963 9.704 -6.575 1.00 43.01 H new ATOM 0 HG2 GLN A 23 -7.953 8.687 -4.564 1.00 71.04 H new ATOM 0 HG3 GLN A 23 -7.985 10.406 -4.904 1.00 71.04 H new ATOM 0 HE21 GLN A 23 -8.542 10.697 -2.643 1.00 30.24 H new ATOM 0 HE22 GLN A 23 -10.188 10.401 -2.076 1.00 30.24 H new ATOM 397 N VAL A 24 -7.664 6.380 -5.307 1.00 32.22 N ATOM 398 CA VAL A 24 -6.385 5.747 -4.923 1.00 44.12 C ATOM 399 C VAL A 24 -6.321 4.303 -5.437 1.00 22.10 C ATOM 400 O VAL A 24 -7.355 3.649 -5.647 1.00 32.12 O ATOM 401 CB VAL A 24 -6.119 5.791 -3.369 1.00 25.25 C ATOM 402 CG1 VAL A 24 -6.106 7.247 -2.853 1.00 35.10 C ATOM 403 CG2 VAL A 24 -7.132 4.931 -2.581 1.00 60.45 C ATOM 0 H VAL A 24 -8.386 6.335 -4.588 1.00 32.22 H new ATOM 0 HA VAL A 24 -5.595 6.332 -5.394 1.00 44.12 H new ATOM 0 HB VAL A 24 -5.133 5.358 -3.198 1.00 25.25 H new ATOM 0 HG11 VAL A 24 -5.921 7.251 -1.779 1.00 35.10 H new ATOM 0 HG12 VAL A 24 -5.318 7.805 -3.359 1.00 35.10 H new ATOM 0 HG13 VAL A 24 -7.070 7.714 -3.057 1.00 35.10 H new ATOM 0 HG21 VAL A 24 -6.910 4.992 -1.516 1.00 60.45 H new ATOM 0 HG22 VAL A 24 -8.141 5.300 -2.763 1.00 60.45 H new ATOM 0 HG23 VAL A 24 -7.061 3.894 -2.908 1.00 60.45 H new ATOM 413 N GLU A 25 -5.087 3.832 -5.651 1.00 20.44 N ATOM 414 CA GLU A 25 -4.799 2.492 -6.164 1.00 45.10 C ATOM 415 C GLU A 25 -4.447 1.570 -5.004 1.00 43.11 C ATOM 416 O GLU A 25 -3.476 1.823 -4.290 1.00 15.54 O ATOM 417 CB GLU A 25 -3.622 2.548 -7.160 1.00 42.01 C ATOM 418 CG GLU A 25 -3.875 3.441 -8.380 1.00 31.44 C ATOM 419 CD GLU A 25 -2.631 3.587 -9.257 1.00 0.11 C ATOM 420 OE1 GLU A 25 -1.779 4.454 -8.960 1.00 44.43 O ATOM 421 OE2 GLU A 25 -2.464 2.801 -10.212 1.00 32.22 O ATOM 0 H GLU A 25 -4.248 4.382 -5.469 1.00 20.44 H new ATOM 0 HA GLU A 25 -5.680 2.109 -6.680 1.00 45.10 H new ATOM 0 HB2 GLU A 25 -2.735 2.908 -6.638 1.00 42.01 H new ATOM 0 HB3 GLU A 25 -3.402 1.537 -7.503 1.00 42.01 H new ATOM 0 HG2 GLU A 25 -4.688 3.022 -8.973 1.00 31.44 H new ATOM 0 HG3 GLU A 25 -4.200 4.426 -8.046 1.00 31.44 H new ATOM 428 N VAL A 26 -5.229 0.500 -4.822 1.00 3.31 N ATOM 429 CA VAL A 26 -5.031 -0.448 -3.717 1.00 14.35 C ATOM 430 C VAL A 26 -4.681 -1.843 -4.263 1.00 50.53 C ATOM 431 O VAL A 26 -5.477 -2.471 -4.967 1.00 11.21 O ATOM 432 CB VAL A 26 -6.286 -0.511 -2.768 1.00 31.13 C ATOM 433 CG1 VAL A 26 -6.021 -1.416 -1.543 1.00 74.32 C ATOM 434 CG2 VAL A 26 -6.684 0.910 -2.313 1.00 63.33 C ATOM 0 H VAL A 26 -6.013 0.267 -5.432 1.00 3.31 H new ATOM 0 HA VAL A 26 -4.194 -0.090 -3.118 1.00 14.35 H new ATOM 0 HB VAL A 26 -7.112 -0.946 -3.331 1.00 31.13 H new ATOM 0 HG11 VAL A 26 -6.907 -1.438 -0.908 1.00 74.32 H new ATOM 0 HG12 VAL A 26 -5.791 -2.427 -1.880 1.00 74.32 H new ATOM 0 HG13 VAL A 26 -5.178 -1.022 -0.976 1.00 74.32 H new ATOM 0 HG21 VAL A 26 -7.553 0.852 -1.657 1.00 63.33 H new ATOM 0 HG22 VAL A 26 -5.853 1.366 -1.775 1.00 63.33 H new ATOM 0 HG23 VAL A 26 -6.927 1.517 -3.185 1.00 63.33 H new ATOM 444 N ARG A 27 -3.467 -2.301 -3.934 1.00 13.23 N ATOM 445 CA ARG A 27 -2.933 -3.604 -4.340 1.00 45.52 C ATOM 446 C ARG A 27 -3.241 -4.652 -3.263 1.00 13.41 C ATOM 447 O ARG A 27 -2.930 -4.441 -2.092 1.00 41.12 O ATOM 448 CB ARG A 27 -1.396 -3.488 -4.542 1.00 30.15 C ATOM 449 CG ARG A 27 -0.956 -2.804 -5.854 1.00 52.11 C ATOM 450 CD ARG A 27 -1.306 -3.639 -7.097 1.00 61.01 C ATOM 451 NE ARG A 27 -0.657 -4.969 -7.058 1.00 70.54 N ATOM 452 CZ ARG A 27 -1.292 -6.160 -7.055 1.00 33.03 C ATOM 453 NH1 ARG A 27 -2.620 -6.227 -7.093 1.00 75.20 N ATOM 454 NH2 ARG A 27 -0.583 -7.283 -7.004 1.00 63.54 N ATOM 0 H ARG A 27 -2.814 -1.762 -3.365 1.00 13.23 H new ATOM 0 HA ARG A 27 -3.400 -3.913 -5.275 1.00 45.52 H new ATOM 0 HB2 ARG A 27 -0.976 -2.933 -3.703 1.00 30.15 H new ATOM 0 HB3 ARG A 27 -0.965 -4.489 -4.510 1.00 30.15 H new ATOM 0 HG2 ARG A 27 -1.434 -1.827 -5.929 1.00 52.11 H new ATOM 0 HG3 ARG A 27 0.120 -2.631 -5.827 1.00 52.11 H new ATOM 0 HD2 ARG A 27 -2.387 -3.762 -7.161 1.00 61.01 H new ATOM 0 HD3 ARG A 27 -0.992 -3.106 -7.995 1.00 61.01 H new ATOM 0 HE ARG A 27 0.362 -4.987 -7.031 1.00 70.54 H new ATOM 0 HH11 ARG A 27 -3.173 -5.371 -7.125 1.00 75.20 H new ATOM 0 HH12 ARG A 27 -3.085 -7.135 -7.090 1.00 75.20 H new ATOM 0 HH21 ARG A 27 0.436 -7.242 -6.967 1.00 63.54 H new ATOM 0 HH22 ARG A 27 -1.057 -8.186 -7.001 1.00 63.54 H new ATOM 468 N LEU A 28 -3.857 -5.769 -3.665 1.00 3.12 N ATOM 469 CA LEU A 28 -4.114 -6.906 -2.770 1.00 72.30 C ATOM 470 C LEU A 28 -2.895 -7.850 -2.770 1.00 3.24 C ATOM 471 O LEU A 28 -2.251 -8.044 -3.809 1.00 64.44 O ATOM 472 CB LEU A 28 -5.395 -7.662 -3.213 1.00 71.20 C ATOM 473 CG LEU A 28 -5.783 -8.927 -2.376 1.00 52.32 C ATOM 474 CD1 LEU A 28 -6.069 -8.568 -0.904 1.00 43.22 C ATOM 475 CD2 LEU A 28 -6.973 -9.668 -3.014 1.00 21.11 C ATOM 0 H LEU A 28 -4.191 -5.912 -4.618 1.00 3.12 H new ATOM 0 HA LEU A 28 -4.273 -6.537 -1.757 1.00 72.30 H new ATOM 0 HB2 LEU A 28 -6.231 -6.963 -3.183 1.00 71.20 H new ATOM 0 HB3 LEU A 28 -5.270 -7.966 -4.252 1.00 71.20 H new ATOM 0 HG LEU A 28 -4.927 -9.602 -2.383 1.00 52.32 H new ATOM 0 HD11 LEU A 28 -6.335 -9.471 -0.354 1.00 43.22 H new ATOM 0 HD12 LEU A 28 -5.180 -8.121 -0.459 1.00 43.22 H new ATOM 0 HD13 LEU A 28 -6.895 -7.858 -0.856 1.00 43.22 H new ATOM 0 HD21 LEU A 28 -7.222 -10.542 -2.413 1.00 21.11 H new ATOM 0 HD22 LEU A 28 -7.834 -9.002 -3.059 1.00 21.11 H new ATOM 0 HD23 LEU A 28 -6.706 -9.985 -4.022 1.00 21.11 H new ATOM 487 N VAL A 29 -2.573 -8.404 -1.590 1.00 54.41 N ATOM 488 CA VAL A 29 -1.509 -9.404 -1.411 1.00 21.05 C ATOM 489 C VAL A 29 -2.097 -10.639 -0.713 1.00 34.33 C ATOM 490 O VAL A 29 -2.438 -10.594 0.473 1.00 73.31 O ATOM 491 CB VAL A 29 -0.281 -8.820 -0.605 1.00 22.43 C ATOM 492 CG1 VAL A 29 0.750 -9.913 -0.220 1.00 64.34 C ATOM 493 CG2 VAL A 29 0.409 -7.694 -1.408 1.00 15.35 C ATOM 0 H VAL A 29 -3.052 -8.166 -0.721 1.00 54.41 H new ATOM 0 HA VAL A 29 -1.126 -9.689 -2.391 1.00 21.05 H new ATOM 0 HB VAL A 29 -0.678 -8.409 0.323 1.00 22.43 H new ATOM 0 HG11 VAL A 29 1.573 -9.459 0.332 1.00 64.34 H new ATOM 0 HG12 VAL A 29 0.267 -10.665 0.403 1.00 64.34 H new ATOM 0 HG13 VAL A 29 1.136 -10.384 -1.124 1.00 64.34 H new ATOM 0 HG21 VAL A 29 1.252 -7.304 -0.837 1.00 15.35 H new ATOM 0 HG22 VAL A 29 0.767 -8.091 -2.358 1.00 15.35 H new ATOM 0 HG23 VAL A 29 -0.304 -6.891 -1.596 1.00 15.35 H new ATOM 503 N THR A 30 -2.267 -11.721 -1.491 1.00 33.14 N ATOM 504 CA THR A 30 -2.709 -13.029 -0.981 1.00 63.40 C ATOM 505 C THR A 30 -1.496 -13.975 -0.825 1.00 54.53 C ATOM 506 O THR A 30 -1.486 -14.860 0.041 1.00 71.24 O ATOM 507 CB THR A 30 -3.792 -13.653 -1.929 1.00 62.51 C ATOM 508 OG1 THR A 30 -3.367 -13.566 -3.305 1.00 73.31 O ATOM 509 CG2 THR A 30 -5.163 -12.957 -1.776 1.00 13.41 C ATOM 0 H THR A 30 -2.101 -11.712 -2.497 1.00 33.14 H new ATOM 0 HA THR A 30 -3.164 -12.889 -0.000 1.00 63.40 H new ATOM 0 HB THR A 30 -3.904 -14.698 -1.641 1.00 62.51 H new ATOM 0 HG1 THR A 30 -4.052 -13.961 -3.884 1.00 73.31 H new ATOM 0 HG21 THR A 30 -5.883 -13.420 -2.450 1.00 13.41 H new ATOM 0 HG22 THR A 30 -5.510 -13.060 -0.748 1.00 13.41 H new ATOM 0 HG23 THR A 30 -5.064 -11.900 -2.022 1.00 13.41 H new ATOM 517 N THR A 31 -0.473 -13.757 -1.677 1.00 23.31 N ATOM 518 CA THR A 31 0.815 -14.490 -1.642 1.00 35.23 C ATOM 519 C THR A 31 1.977 -13.483 -1.780 1.00 62.24 C ATOM 520 O THR A 31 1.741 -12.306 -2.096 1.00 14.55 O ATOM 521 CB THR A 31 0.907 -15.560 -2.792 1.00 4.43 C ATOM 522 OG1 THR A 31 0.813 -14.923 -4.072 1.00 72.21 O ATOM 523 CG2 THR A 31 -0.192 -16.637 -2.689 1.00 41.43 C ATOM 0 H THR A 31 -0.516 -13.059 -2.419 1.00 23.31 H new ATOM 0 HA THR A 31 0.880 -15.017 -0.690 1.00 35.23 H new ATOM 0 HB THR A 31 1.873 -16.052 -2.681 1.00 4.43 H new ATOM 0 HG1 THR A 31 0.194 -14.165 -4.016 1.00 72.21 H new ATOM 0 HG21 THR A 31 -0.081 -17.349 -3.507 1.00 41.43 H new ATOM 0 HG22 THR A 31 -0.101 -17.160 -1.737 1.00 41.43 H new ATOM 0 HG23 THR A 31 -1.172 -16.164 -2.750 1.00 41.43 H new ATOM 531 N GLU A 32 3.225 -13.962 -1.562 1.00 11.34 N ATOM 532 CA GLU A 32 4.446 -13.148 -1.751 1.00 52.41 C ATOM 533 C GLU A 32 4.556 -12.685 -3.224 1.00 43.42 C ATOM 534 O GLU A 32 5.085 -11.606 -3.480 1.00 5.24 O ATOM 535 CB GLU A 32 5.729 -13.935 -1.348 1.00 3.32 C ATOM 536 CG GLU A 32 7.043 -13.110 -1.463 1.00 21.34 C ATOM 537 CD GLU A 32 8.319 -13.961 -1.377 1.00 21.53 C ATOM 538 OE1 GLU A 32 8.657 -14.628 -2.373 1.00 74.14 O ATOM 539 OE2 GLU A 32 8.998 -13.945 -0.335 1.00 54.24 O ATOM 0 H GLU A 32 3.411 -14.916 -1.253 1.00 11.34 H new ATOM 0 HA GLU A 32 4.366 -12.277 -1.100 1.00 52.41 H new ATOM 0 HB2 GLU A 32 5.621 -14.284 -0.321 1.00 3.32 H new ATOM 0 HB3 GLU A 32 5.812 -14.820 -1.978 1.00 3.32 H new ATOM 0 HG2 GLU A 32 7.040 -12.570 -2.410 1.00 21.34 H new ATOM 0 HG3 GLU A 32 7.062 -12.362 -0.670 1.00 21.34 H new ATOM 546 N GLU A 33 4.032 -13.520 -4.172 1.00 40.55 N ATOM 547 CA GLU A 33 4.006 -13.207 -5.624 1.00 13.43 C ATOM 548 C GLU A 33 3.391 -11.822 -5.868 1.00 0.24 C ATOM 549 O GLU A 33 3.983 -11.000 -6.568 1.00 41.20 O ATOM 550 CB GLU A 33 3.202 -14.275 -6.420 1.00 1.42 C ATOM 551 CG GLU A 33 3.772 -15.700 -6.339 1.00 44.55 C ATOM 552 CD GLU A 33 2.952 -16.699 -7.168 1.00 12.15 C ATOM 553 OE1 GLU A 33 3.128 -16.752 -8.409 1.00 2.33 O ATOM 554 OE2 GLU A 33 2.111 -17.417 -6.592 1.00 21.14 O ATOM 0 H GLU A 33 3.619 -14.424 -3.945 1.00 40.55 H new ATOM 0 HA GLU A 33 5.038 -13.213 -5.976 1.00 13.43 H new ATOM 0 HB2 GLU A 33 2.176 -14.287 -6.051 1.00 1.42 H new ATOM 0 HB3 GLU A 33 3.161 -13.974 -7.467 1.00 1.42 H new ATOM 0 HG2 GLU A 33 4.803 -15.698 -6.692 1.00 44.55 H new ATOM 0 HG3 GLU A 33 3.792 -16.023 -5.298 1.00 44.55 H new ATOM 561 N ASP A 34 2.213 -11.581 -5.242 1.00 3.11 N ATOM 562 CA ASP A 34 1.502 -10.292 -5.313 1.00 62.22 C ATOM 563 C ASP A 34 2.404 -9.153 -4.836 1.00 73.21 C ATOM 564 O ASP A 34 2.567 -8.170 -5.547 1.00 12.04 O ATOM 565 CB ASP A 34 0.211 -10.303 -4.453 1.00 44.53 C ATOM 566 CG ASP A 34 -0.826 -11.327 -4.917 1.00 23.14 C ATOM 567 OD1 ASP A 34 -1.587 -11.032 -5.852 1.00 31.54 O ATOM 568 OD2 ASP A 34 -0.878 -12.437 -4.363 1.00 53.12 O ATOM 0 H ASP A 34 1.733 -12.279 -4.674 1.00 3.11 H new ATOM 0 HA ASP A 34 1.228 -10.136 -6.356 1.00 62.22 H new ATOM 0 HB2 ASP A 34 0.477 -10.512 -3.417 1.00 44.53 H new ATOM 0 HB3 ASP A 34 -0.237 -9.310 -4.473 1.00 44.53 H new ATOM 573 N ALA A 35 3.011 -9.340 -3.642 1.00 14.32 N ATOM 574 CA ALA A 35 3.850 -8.321 -2.972 1.00 44.21 C ATOM 575 C ALA A 35 5.061 -7.905 -3.832 1.00 32.12 C ATOM 576 O ALA A 35 5.422 -6.725 -3.871 1.00 55.01 O ATOM 577 CB ALA A 35 4.310 -8.842 -1.598 1.00 13.15 C ATOM 0 H ALA A 35 2.932 -10.208 -3.113 1.00 14.32 H new ATOM 0 HA ALA A 35 3.240 -7.428 -2.833 1.00 44.21 H new ATOM 0 HB1 ALA A 35 4.927 -8.087 -1.111 1.00 13.15 H new ATOM 0 HB2 ALA A 35 3.438 -9.054 -0.979 1.00 13.15 H new ATOM 0 HB3 ALA A 35 4.891 -9.755 -1.731 1.00 13.15 H new ATOM 583 N LYS A 36 5.668 -8.891 -4.522 1.00 2.14 N ATOM 584 CA LYS A 36 6.789 -8.664 -5.458 1.00 43.25 C ATOM 585 C LYS A 36 6.317 -7.857 -6.681 1.00 63.33 C ATOM 586 O LYS A 36 7.012 -6.951 -7.142 1.00 13.23 O ATOM 587 CB LYS A 36 7.383 -10.023 -5.906 1.00 15.23 C ATOM 588 CG LYS A 36 7.949 -10.874 -4.747 1.00 23.44 C ATOM 589 CD LYS A 36 8.387 -12.289 -5.198 1.00 61.24 C ATOM 590 CE LYS A 36 9.518 -12.270 -6.242 1.00 71.24 C ATOM 591 NZ LYS A 36 9.950 -13.643 -6.619 1.00 43.21 N ATOM 0 H LYS A 36 5.394 -9.871 -4.446 1.00 2.14 H new ATOM 0 HA LYS A 36 7.562 -8.090 -4.947 1.00 43.25 H new ATOM 0 HB2 LYS A 36 6.609 -10.595 -6.419 1.00 15.23 H new ATOM 0 HB3 LYS A 36 8.177 -9.840 -6.630 1.00 15.23 H new ATOM 0 HG2 LYS A 36 8.802 -10.358 -4.307 1.00 23.44 H new ATOM 0 HG3 LYS A 36 7.194 -10.964 -3.966 1.00 23.44 H new ATOM 0 HD2 LYS A 36 8.715 -12.856 -4.327 1.00 61.24 H new ATOM 0 HD3 LYS A 36 7.527 -12.813 -5.614 1.00 61.24 H new ATOM 0 HE2 LYS A 36 9.181 -11.738 -7.132 1.00 71.24 H new ATOM 0 HE3 LYS A 36 10.370 -11.718 -5.844 1.00 71.24 H new ATOM 0 HZ1 LYS A 36 10.713 -13.586 -7.324 1.00 43.21 H new ATOM 0 HZ2 LYS A 36 10.296 -14.142 -5.775 1.00 43.21 H new ATOM 0 HZ3 LYS A 36 9.144 -14.162 -7.023 1.00 43.21 H new ATOM 605 N GLN A 37 5.113 -8.202 -7.176 1.00 10.02 N ATOM 606 CA GLN A 37 4.462 -7.507 -8.306 1.00 42.32 C ATOM 607 C GLN A 37 4.067 -6.066 -7.917 1.00 0.40 C ATOM 608 O GLN A 37 4.004 -5.184 -8.779 1.00 11.12 O ATOM 609 CB GLN A 37 3.221 -8.314 -8.780 1.00 73.22 C ATOM 610 CG GLN A 37 3.560 -9.700 -9.378 1.00 51.23 C ATOM 611 CD GLN A 37 2.332 -10.583 -9.638 1.00 4.13 C ATOM 612 OE1 GLN A 37 1.315 -10.477 -8.952 1.00 44.54 O ATOM 613 NE2 GLN A 37 2.422 -11.477 -10.613 1.00 31.52 N ATOM 0 H GLN A 37 4.561 -8.974 -6.802 1.00 10.02 H new ATOM 0 HA GLN A 37 5.173 -7.442 -9.130 1.00 42.32 H new ATOM 0 HB2 GLN A 37 2.545 -8.450 -7.936 1.00 73.22 H new ATOM 0 HB3 GLN A 37 2.684 -7.729 -9.527 1.00 73.22 H new ATOM 0 HG2 GLN A 37 4.098 -9.558 -10.315 1.00 51.23 H new ATOM 0 HG3 GLN A 37 4.234 -10.223 -8.699 1.00 51.23 H new ATOM 0 HE21 GLN A 37 3.276 -11.544 -11.166 1.00 31.52 H new ATOM 0 HE22 GLN A 37 1.637 -12.098 -10.810 1.00 31.52 H new ATOM 622 N VAL A 38 3.800 -5.847 -6.609 1.00 2.43 N ATOM 623 CA VAL A 38 3.534 -4.512 -6.052 1.00 74.44 C ATOM 624 C VAL A 38 4.819 -3.661 -6.078 1.00 71.03 C ATOM 625 O VAL A 38 4.766 -2.499 -6.457 1.00 50.34 O ATOM 626 CB VAL A 38 2.965 -4.577 -4.581 1.00 44.54 C ATOM 627 CG1 VAL A 38 2.738 -3.163 -4.010 1.00 65.40 C ATOM 628 CG2 VAL A 38 1.658 -5.394 -4.514 1.00 42.32 C ATOM 0 H VAL A 38 3.764 -6.594 -5.915 1.00 2.43 H new ATOM 0 HA VAL A 38 2.771 -4.049 -6.678 1.00 74.44 H new ATOM 0 HB VAL A 38 3.713 -5.083 -3.970 1.00 44.54 H new ATOM 0 HG11 VAL A 38 2.346 -3.239 -2.996 1.00 65.40 H new ATOM 0 HG12 VAL A 38 3.684 -2.621 -3.994 1.00 65.40 H new ATOM 0 HG13 VAL A 38 2.024 -2.628 -4.636 1.00 65.40 H new ATOM 0 HG21 VAL A 38 1.296 -5.417 -3.486 1.00 42.32 H new ATOM 0 HG22 VAL A 38 0.906 -4.931 -5.153 1.00 42.32 H new ATOM 0 HG23 VAL A 38 1.847 -6.412 -4.855 1.00 42.32 H new ATOM 638 N ILE A 39 5.967 -4.270 -5.691 1.00 53.33 N ATOM 639 CA ILE A 39 7.301 -3.612 -5.745 1.00 34.24 C ATOM 640 C ILE A 39 7.565 -3.056 -7.169 1.00 52.52 C ATOM 641 O ILE A 39 8.041 -1.931 -7.331 1.00 73.44 O ATOM 642 CB ILE A 39 8.453 -4.613 -5.332 1.00 72.43 C ATOM 643 CG1 ILE A 39 8.251 -5.128 -3.871 1.00 4.42 C ATOM 644 CG2 ILE A 39 9.851 -3.972 -5.495 1.00 1.31 C ATOM 645 CD1 ILE A 39 9.243 -6.193 -3.416 1.00 73.11 C ATOM 0 H ILE A 39 5.997 -5.225 -5.334 1.00 53.33 H new ATOM 0 HA ILE A 39 7.298 -2.788 -5.032 1.00 34.24 H new ATOM 0 HB ILE A 39 8.398 -5.466 -6.008 1.00 72.43 H new ATOM 0 HG12 ILE A 39 8.317 -4.279 -3.191 1.00 4.42 H new ATOM 0 HG13 ILE A 39 7.242 -5.531 -3.781 1.00 4.42 H new ATOM 0 HG21 ILE A 39 10.617 -4.690 -5.202 1.00 1.31 H new ATOM 0 HG22 ILE A 39 10.001 -3.686 -6.536 1.00 1.31 H new ATOM 0 HG23 ILE A 39 9.922 -3.087 -4.862 1.00 1.31 H new ATOM 0 HD11 ILE A 39 9.019 -6.484 -2.390 1.00 73.11 H new ATOM 0 HD12 ILE A 39 9.165 -7.065 -4.066 1.00 73.11 H new ATOM 0 HD13 ILE A 39 10.255 -5.793 -3.467 1.00 73.11 H new ATOM 657 N LYS A 40 7.187 -3.869 -8.179 1.00 12.34 N ATOM 658 CA LYS A 40 7.300 -3.523 -9.612 1.00 22.44 C ATOM 659 C LYS A 40 6.357 -2.353 -9.980 1.00 33.23 C ATOM 660 O LYS A 40 6.783 -1.385 -10.609 1.00 52.20 O ATOM 661 CB LYS A 40 6.959 -4.759 -10.481 1.00 0.23 C ATOM 662 CG LYS A 40 7.793 -6.024 -10.166 1.00 64.31 C ATOM 663 CD LYS A 40 7.403 -7.227 -11.052 1.00 73.42 C ATOM 664 CE LYS A 40 7.666 -6.975 -12.549 1.00 63.44 C ATOM 665 NZ LYS A 40 9.108 -6.747 -12.835 1.00 53.03 N ATOM 0 H LYS A 40 6.790 -4.795 -8.020 1.00 12.34 H new ATOM 0 HA LYS A 40 8.326 -3.211 -9.805 1.00 22.44 H new ATOM 0 HB2 LYS A 40 5.903 -4.996 -10.352 1.00 0.23 H new ATOM 0 HB3 LYS A 40 7.102 -4.499 -11.530 1.00 0.23 H new ATOM 0 HG2 LYS A 40 8.851 -5.802 -10.306 1.00 64.31 H new ATOM 0 HG3 LYS A 40 7.660 -6.291 -9.118 1.00 64.31 H new ATOM 0 HD2 LYS A 40 7.964 -8.105 -10.732 1.00 73.42 H new ATOM 0 HD3 LYS A 40 6.347 -7.453 -10.906 1.00 73.42 H new ATOM 0 HE2 LYS A 40 7.313 -7.829 -13.127 1.00 63.44 H new ATOM 0 HE3 LYS A 40 7.091 -6.109 -12.877 1.00 63.44 H new ATOM 0 HZ1 LYS A 40 9.255 -6.700 -13.864 1.00 53.03 H new ATOM 0 HZ2 LYS A 40 9.411 -5.852 -12.401 1.00 53.03 H new ATOM 0 HZ3 LYS A 40 9.668 -7.530 -12.441 1.00 53.03 H new ATOM 679 N GLU A 41 5.084 -2.477 -9.540 1.00 2.04 N ATOM 680 CA GLU A 41 3.990 -1.496 -9.770 1.00 75.14 C ATOM 681 C GLU A 41 4.436 -0.078 -9.342 1.00 41.33 C ATOM 682 O GLU A 41 4.322 0.903 -10.102 1.00 31.32 O ATOM 683 CB GLU A 41 2.758 -1.966 -8.932 1.00 4.43 C ATOM 684 CG GLU A 41 1.459 -1.154 -9.092 1.00 61.43 C ATOM 685 CD GLU A 41 0.769 -1.312 -10.461 1.00 1.44 C ATOM 686 OE1 GLU A 41 0.578 -2.462 -10.912 1.00 42.03 O ATOM 687 OE2 GLU A 41 0.370 -0.295 -11.062 1.00 54.31 O ATOM 0 H GLU A 41 4.777 -3.285 -8.999 1.00 2.04 H new ATOM 0 HA GLU A 41 3.733 -1.448 -10.828 1.00 75.14 H new ATOM 0 HB2 GLU A 41 2.545 -3.003 -9.193 1.00 4.43 H new ATOM 0 HB3 GLU A 41 3.039 -1.954 -7.879 1.00 4.43 H new ATOM 0 HG2 GLU A 41 0.760 -1.453 -8.311 1.00 61.43 H new ATOM 0 HG3 GLU A 41 1.683 -0.099 -8.932 1.00 61.43 H new ATOM 694 N ILE A 42 4.987 -0.039 -8.119 1.00 31.22 N ATOM 695 CA ILE A 42 5.526 1.157 -7.476 1.00 62.44 C ATOM 696 C ILE A 42 6.658 1.788 -8.327 1.00 60.55 C ATOM 697 O ILE A 42 6.619 2.984 -8.618 1.00 64.21 O ATOM 698 CB ILE A 42 6.054 0.785 -6.038 1.00 64.31 C ATOM 699 CG1 ILE A 42 4.890 0.280 -5.114 1.00 1.22 C ATOM 700 CG2 ILE A 42 6.786 1.968 -5.385 1.00 1.31 C ATOM 701 CD1 ILE A 42 5.350 -0.374 -3.815 1.00 15.43 C ATOM 0 H ILE A 42 5.070 -0.871 -7.535 1.00 31.22 H new ATOM 0 HA ILE A 42 4.731 1.897 -7.388 1.00 62.44 H new ATOM 0 HB ILE A 42 6.768 -0.029 -6.159 1.00 64.31 H new ATOM 0 HG12 ILE A 42 4.244 1.124 -4.872 1.00 1.22 H new ATOM 0 HG13 ILE A 42 4.285 -0.435 -5.671 1.00 1.22 H new ATOM 0 HG21 ILE A 42 7.137 1.677 -4.395 1.00 1.31 H new ATOM 0 HG22 ILE A 42 7.638 2.254 -6.002 1.00 1.31 H new ATOM 0 HG23 ILE A 42 6.103 2.813 -5.294 1.00 1.31 H new ATOM 0 HD11 ILE A 42 4.480 -0.692 -3.240 1.00 15.43 H new ATOM 0 HD12 ILE A 42 5.971 -1.240 -4.044 1.00 15.43 H new ATOM 0 HD13 ILE A 42 5.928 0.343 -3.232 1.00 15.43 H new ATOM 713 N GLN A 43 7.625 0.948 -8.757 1.00 15.25 N ATOM 714 CA GLN A 43 8.820 1.390 -9.514 1.00 22.42 C ATOM 715 C GLN A 43 8.450 1.999 -10.878 1.00 64.44 C ATOM 716 O GLN A 43 9.042 3.002 -11.292 1.00 1.42 O ATOM 717 CB GLN A 43 9.812 0.204 -9.706 1.00 63.31 C ATOM 718 CG GLN A 43 10.535 -0.229 -8.413 1.00 43.44 C ATOM 719 CD GLN A 43 11.443 -1.450 -8.595 1.00 51.03 C ATOM 720 OE1 GLN A 43 11.977 -1.701 -9.676 1.00 40.14 O ATOM 721 NE2 GLN A 43 11.655 -2.198 -7.530 1.00 53.50 N ATOM 0 H GLN A 43 7.600 -0.058 -8.589 1.00 15.25 H new ATOM 0 HA GLN A 43 9.303 2.171 -8.927 1.00 22.42 H new ATOM 0 HB2 GLN A 43 9.267 -0.650 -10.108 1.00 63.31 H new ATOM 0 HB3 GLN A 43 10.558 0.485 -10.450 1.00 63.31 H new ATOM 0 HG2 GLN A 43 11.132 0.605 -8.044 1.00 43.44 H new ATOM 0 HG3 GLN A 43 9.791 -0.451 -7.648 1.00 43.44 H new ATOM 0 HE21 GLN A 43 11.200 -1.968 -6.646 1.00 53.50 H new ATOM 0 HE22 GLN A 43 12.274 -3.007 -7.590 1.00 53.50 H new ATOM 730 N LYS A 44 7.464 1.393 -11.559 1.00 31.44 N ATOM 731 CA LYS A 44 7.071 1.792 -12.926 1.00 12.43 C ATOM 732 C LYS A 44 6.319 3.128 -12.931 1.00 51.22 C ATOM 733 O LYS A 44 6.558 3.975 -13.803 1.00 35.11 O ATOM 734 CB LYS A 44 6.232 0.680 -13.603 1.00 52.13 C ATOM 735 CG LYS A 44 6.974 -0.666 -13.733 1.00 34.24 C ATOM 736 CD LYS A 44 8.325 -0.543 -14.481 1.00 44.40 C ATOM 737 CE LYS A 44 9.073 -1.879 -14.556 1.00 42.30 C ATOM 738 NZ LYS A 44 8.336 -2.891 -15.358 1.00 21.10 N ATOM 0 H LYS A 44 6.918 0.618 -11.183 1.00 31.44 H new ATOM 0 HA LYS A 44 7.984 1.931 -13.504 1.00 12.43 H new ATOM 0 HB2 LYS A 44 5.318 0.527 -13.029 1.00 52.13 H new ATOM 0 HB3 LYS A 44 5.932 1.017 -14.595 1.00 52.13 H new ATOM 0 HG2 LYS A 44 7.152 -1.074 -12.738 1.00 34.24 H new ATOM 0 HG3 LYS A 44 6.337 -1.376 -14.260 1.00 34.24 H new ATOM 0 HD2 LYS A 44 8.146 -0.172 -15.490 1.00 44.40 H new ATOM 0 HD3 LYS A 44 8.951 0.193 -13.977 1.00 44.40 H new ATOM 0 HE2 LYS A 44 10.058 -1.718 -14.994 1.00 42.30 H new ATOM 0 HE3 LYS A 44 9.231 -2.262 -13.548 1.00 42.30 H new ATOM 0 HZ1 LYS A 44 8.923 -3.742 -15.467 1.00 21.10 H new ATOM 0 HZ2 LYS A 44 7.451 -3.141 -14.873 1.00 21.10 H new ATOM 0 HZ3 LYS A 44 8.118 -2.499 -16.296 1.00 21.10 H new ATOM 752 N LYS A 45 5.419 3.320 -11.952 1.00 1.03 N ATOM 753 CA LYS A 45 4.662 4.582 -11.813 1.00 21.21 C ATOM 754 C LYS A 45 5.507 5.674 -11.127 1.00 11.24 C ATOM 755 O LYS A 45 5.221 6.867 -11.278 1.00 64.12 O ATOM 756 CB LYS A 45 3.348 4.328 -11.038 1.00 20.44 C ATOM 757 CG LYS A 45 2.400 3.334 -11.749 1.00 53.21 C ATOM 758 CD LYS A 45 1.094 3.085 -10.969 1.00 31.42 C ATOM 759 CE LYS A 45 1.350 2.522 -9.561 1.00 22.34 C ATOM 760 NZ LYS A 45 0.103 2.025 -8.945 1.00 51.34 N ATOM 0 H LYS A 45 5.196 2.620 -11.244 1.00 1.03 H new ATOM 0 HA LYS A 45 4.415 4.945 -12.811 1.00 21.21 H new ATOM 0 HB2 LYS A 45 3.588 3.944 -10.046 1.00 20.44 H new ATOM 0 HB3 LYS A 45 2.829 5.276 -10.896 1.00 20.44 H new ATOM 0 HG2 LYS A 45 2.157 3.717 -12.740 1.00 53.21 H new ATOM 0 HG3 LYS A 45 2.918 2.386 -11.892 1.00 53.21 H new ATOM 0 HD2 LYS A 45 0.539 4.019 -10.888 1.00 31.42 H new ATOM 0 HD3 LYS A 45 0.468 2.389 -11.527 1.00 31.42 H new ATOM 0 HE2 LYS A 45 2.077 1.712 -9.618 1.00 22.34 H new ATOM 0 HE3 LYS A 45 1.785 3.298 -8.931 1.00 22.34 H new ATOM 0 HZ1 LYS A 45 0.304 1.160 -8.403 1.00 51.34 H new ATOM 0 HZ2 LYS A 45 -0.283 2.751 -8.308 1.00 51.34 H new ATOM 0 HZ3 LYS A 45 -0.592 1.814 -9.690 1.00 51.34 H new ATOM 774 N GLY A 46 6.549 5.250 -10.385 1.00 40.23 N ATOM 775 CA GLY A 46 7.407 6.172 -9.629 1.00 14.25 C ATOM 776 C GLY A 46 6.717 6.687 -8.381 1.00 2.03 C ATOM 777 O GLY A 46 6.763 7.884 -8.077 1.00 13.42 O ATOM 0 H GLY A 46 6.814 4.269 -10.296 1.00 40.23 H new ATOM 0 HA2 GLY A 46 8.330 5.664 -9.351 1.00 14.25 H new ATOM 0 HA3 GLY A 46 7.685 7.013 -10.264 1.00 14.25 H new ATOM 781 N VAL A 47 6.067 5.762 -7.667 1.00 33.13 N ATOM 782 CA VAL A 47 5.277 6.056 -6.466 1.00 21.52 C ATOM 783 C VAL A 47 6.230 6.446 -5.333 1.00 11.43 C ATOM 784 O VAL A 47 7.249 5.792 -5.133 1.00 72.10 O ATOM 785 CB VAL A 47 4.418 4.807 -6.064 1.00 33.22 C ATOM 786 CG1 VAL A 47 3.571 5.049 -4.798 1.00 22.11 C ATOM 787 CG2 VAL A 47 3.538 4.360 -7.246 1.00 52.01 C ATOM 0 H VAL A 47 6.075 4.772 -7.911 1.00 33.13 H new ATOM 0 HA VAL A 47 4.594 6.882 -6.664 1.00 21.52 H new ATOM 0 HB VAL A 47 5.112 4.004 -5.818 1.00 33.22 H new ATOM 0 HG11 VAL A 47 2.997 4.151 -4.567 1.00 22.11 H new ATOM 0 HG12 VAL A 47 4.228 5.286 -3.961 1.00 22.11 H new ATOM 0 HG13 VAL A 47 2.889 5.881 -4.970 1.00 22.11 H new ATOM 0 HG21 VAL A 47 2.947 3.492 -6.952 1.00 52.01 H new ATOM 0 HG22 VAL A 47 2.871 5.173 -7.531 1.00 52.01 H new ATOM 0 HG23 VAL A 47 4.172 4.097 -8.093 1.00 52.01 H new ATOM 797 N GLN A 48 5.898 7.527 -4.624 1.00 65.33 N ATOM 798 CA GLN A 48 6.792 8.145 -3.629 1.00 13.20 C ATOM 799 C GLN A 48 6.423 7.687 -2.205 1.00 41.15 C ATOM 800 O GLN A 48 7.299 7.358 -1.402 1.00 43.31 O ATOM 801 CB GLN A 48 6.728 9.687 -3.802 1.00 14.52 C ATOM 802 CG GLN A 48 7.219 10.144 -5.199 1.00 51.42 C ATOM 803 CD GLN A 48 7.032 11.634 -5.501 1.00 3.03 C ATOM 804 OE1 GLN A 48 6.097 12.275 -5.023 1.00 31.11 O ATOM 805 NE2 GLN A 48 7.919 12.187 -6.313 1.00 65.22 N ATOM 0 H GLN A 48 5.001 8.003 -4.720 1.00 65.33 H new ATOM 0 HA GLN A 48 7.822 7.825 -3.789 1.00 13.20 H new ATOM 0 HB2 GLN A 48 5.703 10.025 -3.652 1.00 14.52 H new ATOM 0 HB3 GLN A 48 7.336 10.162 -3.032 1.00 14.52 H new ATOM 0 HG2 GLN A 48 8.278 9.901 -5.292 1.00 51.42 H new ATOM 0 HG3 GLN A 48 6.692 9.567 -5.958 1.00 51.42 H new ATOM 0 HE21 GLN A 48 8.682 11.627 -6.692 1.00 65.22 H new ATOM 0 HE22 GLN A 48 7.839 13.173 -6.560 1.00 65.22 H new ATOM 814 N LYS A 49 5.113 7.658 -1.904 1.00 23.44 N ATOM 815 CA LYS A 49 4.583 7.153 -0.616 1.00 21.44 C ATOM 816 C LYS A 49 3.707 5.913 -0.855 1.00 64.23 C ATOM 817 O LYS A 49 2.882 5.904 -1.773 1.00 21.50 O ATOM 818 CB LYS A 49 3.756 8.251 0.102 1.00 32.35 C ATOM 819 CG LYS A 49 4.553 9.535 0.438 1.00 25.31 C ATOM 820 CD LYS A 49 3.705 10.573 1.212 1.00 44.22 C ATOM 821 CE LYS A 49 2.491 11.068 0.406 1.00 61.14 C ATOM 822 NZ LYS A 49 2.908 11.697 -0.874 1.00 61.42 N ATOM 0 H LYS A 49 4.388 7.983 -2.544 1.00 23.44 H new ATOM 0 HA LYS A 49 5.426 6.879 0.019 1.00 21.44 H new ATOM 0 HB2 LYS A 49 2.907 8.519 -0.527 1.00 32.35 H new ATOM 0 HB3 LYS A 49 3.350 7.838 1.025 1.00 32.35 H new ATOM 0 HG2 LYS A 49 5.428 9.271 1.031 1.00 25.31 H new ATOM 0 HG3 LYS A 49 4.918 9.985 -0.486 1.00 25.31 H new ATOM 0 HD2 LYS A 49 3.360 10.130 2.146 1.00 44.22 H new ATOM 0 HD3 LYS A 49 4.332 11.424 1.476 1.00 44.22 H new ATOM 0 HE2 LYS A 49 1.823 10.231 0.201 1.00 61.14 H new ATOM 0 HE3 LYS A 49 1.927 11.788 1.000 1.00 61.14 H new ATOM 0 HZ1 LYS A 49 2.091 12.168 -1.312 1.00 61.42 H new ATOM 0 HZ2 LYS A 49 3.654 12.398 -0.690 1.00 61.42 H new ATOM 0 HZ3 LYS A 49 3.272 10.966 -1.518 1.00 61.42 H new ATOM 836 N VAL A 50 3.904 4.873 -0.028 1.00 44.45 N ATOM 837 CA VAL A 50 3.114 3.627 -0.059 1.00 21.01 C ATOM 838 C VAL A 50 2.613 3.321 1.363 1.00 42.34 C ATOM 839 O VAL A 50 3.403 3.300 2.311 1.00 5.04 O ATOM 840 CB VAL A 50 3.975 2.418 -0.610 1.00 42.42 C ATOM 841 CG1 VAL A 50 3.205 1.074 -0.558 1.00 25.45 C ATOM 842 CG2 VAL A 50 4.466 2.710 -2.047 1.00 12.43 C ATOM 0 H VAL A 50 4.627 4.872 0.692 1.00 44.45 H new ATOM 0 HA VAL A 50 2.266 3.760 -0.731 1.00 21.01 H new ATOM 0 HB VAL A 50 4.840 2.316 0.045 1.00 42.42 H new ATOM 0 HG11 VAL A 50 3.838 0.277 -0.947 1.00 25.45 H new ATOM 0 HG12 VAL A 50 2.932 0.851 0.473 1.00 25.45 H new ATOM 0 HG13 VAL A 50 2.302 1.148 -1.164 1.00 25.45 H new ATOM 0 HG21 VAL A 50 5.056 1.868 -2.408 1.00 12.43 H new ATOM 0 HG22 VAL A 50 3.607 2.859 -2.702 1.00 12.43 H new ATOM 0 HG23 VAL A 50 5.081 3.610 -2.045 1.00 12.43 H new ATOM 852 N VAL A 51 1.295 3.107 1.506 1.00 43.42 N ATOM 853 CA VAL A 51 0.674 2.698 2.773 1.00 4.03 C ATOM 854 C VAL A 51 0.644 1.166 2.833 1.00 31.33 C ATOM 855 O VAL A 51 0.209 0.537 1.879 1.00 73.42 O ATOM 856 CB VAL A 51 -0.792 3.260 2.904 1.00 71.12 C ATOM 857 CG1 VAL A 51 -1.495 2.743 4.178 1.00 71.11 C ATOM 858 CG2 VAL A 51 -0.798 4.799 2.868 1.00 14.21 C ATOM 0 H VAL A 51 0.628 3.214 0.741 1.00 43.42 H new ATOM 0 HA VAL A 51 1.261 3.103 3.597 1.00 4.03 H new ATOM 0 HB VAL A 51 -1.355 2.892 2.046 1.00 71.12 H new ATOM 0 HG11 VAL A 51 -2.503 3.154 4.230 1.00 71.11 H new ATOM 0 HG12 VAL A 51 -1.548 1.655 4.148 1.00 71.11 H new ATOM 0 HG13 VAL A 51 -0.931 3.054 5.057 1.00 71.11 H new ATOM 0 HG21 VAL A 51 -1.822 5.161 2.960 1.00 14.21 H new ATOM 0 HG22 VAL A 51 -0.201 5.185 3.694 1.00 14.21 H new ATOM 0 HG23 VAL A 51 -0.375 5.143 1.924 1.00 14.21 H new ATOM 868 N LEU A 52 1.129 0.574 3.929 1.00 33.11 N ATOM 869 CA LEU A 52 1.059 -0.879 4.153 1.00 20.55 C ATOM 870 C LEU A 52 0.064 -1.170 5.297 1.00 71.42 C ATOM 871 O LEU A 52 0.261 -0.726 6.436 1.00 61.43 O ATOM 872 CB LEU A 52 2.472 -1.447 4.449 1.00 3.11 C ATOM 873 CG LEU A 52 3.520 -1.334 3.285 1.00 51.43 C ATOM 874 CD1 LEU A 52 4.850 -1.998 3.652 1.00 44.44 C ATOM 875 CD2 LEU A 52 2.993 -1.924 1.981 1.00 1.35 C ATOM 0 H LEU A 52 1.581 1.085 4.687 1.00 33.11 H new ATOM 0 HA LEU A 52 0.697 -1.378 3.254 1.00 20.55 H new ATOM 0 HB2 LEU A 52 2.873 -0.932 5.322 1.00 3.11 H new ATOM 0 HB3 LEU A 52 2.370 -2.498 4.718 1.00 3.11 H new ATOM 0 HG LEU A 52 3.692 -0.268 3.135 1.00 51.43 H new ATOM 0 HD11 LEU A 52 5.548 -1.898 2.821 1.00 44.44 H new ATOM 0 HD12 LEU A 52 5.266 -1.514 4.536 1.00 44.44 H new ATOM 0 HD13 LEU A 52 4.684 -3.055 3.861 1.00 44.44 H new ATOM 0 HD21 LEU A 52 3.751 -1.824 1.204 1.00 1.35 H new ATOM 0 HD22 LEU A 52 2.760 -2.979 2.127 1.00 1.35 H new ATOM 0 HD23 LEU A 52 2.091 -1.391 1.679 1.00 1.35 H new ATOM 887 N VAL A 53 -1.016 -1.897 4.954 1.00 61.14 N ATOM 888 CA VAL A 53 -2.152 -2.199 5.843 1.00 14.31 C ATOM 889 C VAL A 53 -2.186 -3.711 6.160 1.00 40.00 C ATOM 890 O VAL A 53 -2.407 -4.538 5.262 1.00 53.24 O ATOM 891 CB VAL A 53 -3.522 -1.774 5.171 1.00 35.21 C ATOM 892 CG1 VAL A 53 -4.722 -1.933 6.138 1.00 65.24 C ATOM 893 CG2 VAL A 53 -3.456 -0.338 4.606 1.00 35.20 C ATOM 0 H VAL A 53 -1.125 -2.302 4.024 1.00 61.14 H new ATOM 0 HA VAL A 53 -2.022 -1.632 6.765 1.00 14.31 H new ATOM 0 HB VAL A 53 -3.685 -2.457 4.337 1.00 35.21 H new ATOM 0 HG11 VAL A 53 -5.639 -1.630 5.633 1.00 65.24 H new ATOM 0 HG12 VAL A 53 -4.805 -2.975 6.446 1.00 65.24 H new ATOM 0 HG13 VAL A 53 -4.567 -1.306 7.016 1.00 65.24 H new ATOM 0 HG21 VAL A 53 -4.413 -0.081 4.153 1.00 35.20 H new ATOM 0 HG22 VAL A 53 -3.237 0.361 5.413 1.00 35.20 H new ATOM 0 HG23 VAL A 53 -2.670 -0.279 3.853 1.00 35.20 H new ATOM 903 N GLY A 54 -1.941 -4.044 7.442 1.00 5.33 N ATOM 904 CA GLY A 54 -2.038 -5.416 7.953 1.00 41.03 C ATOM 905 C GLY A 54 -0.981 -6.374 7.400 1.00 12.42 C ATOM 906 O GLY A 54 -1.182 -7.592 7.424 1.00 51.34 O ATOM 0 H GLY A 54 -1.670 -3.363 8.151 1.00 5.33 H new ATOM 0 HA2 GLY A 54 -1.956 -5.392 9.040 1.00 41.03 H new ATOM 0 HA3 GLY A 54 -3.027 -5.810 7.716 1.00 41.03 H new ATOM 910 N VAL A 55 0.160 -5.830 6.930 1.00 52.42 N ATOM 911 CA VAL A 55 1.242 -6.640 6.328 1.00 42.32 C ATOM 912 C VAL A 55 2.185 -7.161 7.430 1.00 4.44 C ATOM 913 O VAL A 55 2.116 -6.709 8.583 1.00 72.24 O ATOM 914 CB VAL A 55 2.057 -5.826 5.243 1.00 25.31 C ATOM 915 CG1 VAL A 55 1.112 -5.217 4.175 1.00 73.13 C ATOM 916 CG2 VAL A 55 2.951 -4.739 5.887 1.00 32.02 C ATOM 0 H VAL A 55 0.358 -4.830 6.955 1.00 52.42 H new ATOM 0 HA VAL A 55 0.780 -7.485 5.818 1.00 42.32 H new ATOM 0 HB VAL A 55 2.721 -6.531 4.742 1.00 25.31 H new ATOM 0 HG11 VAL A 55 1.700 -4.663 3.443 1.00 73.13 H new ATOM 0 HG12 VAL A 55 0.567 -6.016 3.673 1.00 73.13 H new ATOM 0 HG13 VAL A 55 0.405 -4.542 4.657 1.00 73.13 H new ATOM 0 HG21 VAL A 55 3.493 -4.204 5.107 1.00 32.02 H new ATOM 0 HG22 VAL A 55 2.328 -4.038 6.442 1.00 32.02 H new ATOM 0 HG23 VAL A 55 3.663 -5.209 6.566 1.00 32.02 H new ATOM 926 N SER A 56 3.058 -8.112 7.077 1.00 41.52 N ATOM 927 CA SER A 56 4.058 -8.656 8.014 1.00 21.52 C ATOM 928 C SER A 56 5.309 -7.747 8.055 1.00 31.32 C ATOM 929 O SER A 56 5.522 -6.934 7.146 1.00 4.53 O ATOM 930 CB SER A 56 4.426 -10.094 7.596 1.00 2.51 C ATOM 931 OG SER A 56 4.891 -10.125 6.261 1.00 15.31 O ATOM 0 H SER A 56 3.095 -8.525 6.145 1.00 41.52 H new ATOM 0 HA SER A 56 3.637 -8.683 9.019 1.00 21.52 H new ATOM 0 HB2 SER A 56 5.194 -10.486 8.263 1.00 2.51 H new ATOM 0 HB3 SER A 56 3.555 -10.741 7.698 1.00 2.51 H new ATOM 0 HG SER A 56 5.121 -11.046 6.016 1.00 15.31 H new ATOM 937 N GLU A 57 6.127 -7.917 9.115 1.00 50.40 N ATOM 938 CA GLU A 57 7.336 -7.103 9.374 1.00 23.01 C ATOM 939 C GLU A 57 8.369 -7.180 8.217 1.00 31.02 C ATOM 940 O GLU A 57 8.973 -6.166 7.854 1.00 63.04 O ATOM 941 CB GLU A 57 7.987 -7.551 10.718 1.00 64.20 C ATOM 942 CG GLU A 57 8.365 -9.047 10.767 1.00 33.13 C ATOM 943 CD GLU A 57 9.066 -9.453 12.072 1.00 14.04 C ATOM 944 OE1 GLU A 57 10.221 -9.030 12.287 1.00 62.23 O ATOM 945 OE2 GLU A 57 8.468 -10.189 12.886 1.00 41.53 O ATOM 0 H GLU A 57 5.965 -8.632 9.824 1.00 50.40 H new ATOM 0 HA GLU A 57 7.023 -6.061 9.442 1.00 23.01 H new ATOM 0 HB2 GLU A 57 8.883 -6.955 10.892 1.00 64.20 H new ATOM 0 HB3 GLU A 57 7.297 -7.335 11.534 1.00 64.20 H new ATOM 0 HG2 GLU A 57 7.463 -9.647 10.645 1.00 33.13 H new ATOM 0 HG3 GLU A 57 9.018 -9.278 9.925 1.00 33.13 H new ATOM 952 N LYS A 58 8.546 -8.388 7.640 1.00 13.10 N ATOM 953 CA LYS A 58 9.572 -8.645 6.608 1.00 31.43 C ATOM 954 C LYS A 58 9.104 -8.145 5.228 1.00 45.21 C ATOM 955 O LYS A 58 9.916 -7.632 4.452 1.00 1.22 O ATOM 956 CB LYS A 58 9.942 -10.152 6.583 1.00 2.12 C ATOM 957 CG LYS A 58 11.091 -10.523 5.607 1.00 54.30 C ATOM 958 CD LYS A 58 11.605 -11.986 5.732 1.00 60.44 C ATOM 959 CE LYS A 58 10.560 -13.064 5.357 1.00 43.03 C ATOM 960 NZ LYS A 58 9.552 -13.313 6.421 1.00 53.53 N ATOM 0 H LYS A 58 7.985 -9.207 7.875 1.00 13.10 H new ATOM 0 HA LYS A 58 10.472 -8.085 6.861 1.00 31.43 H new ATOM 0 HB2 LYS A 58 10.226 -10.459 7.590 1.00 2.12 H new ATOM 0 HB3 LYS A 58 9.055 -10.725 6.313 1.00 2.12 H new ATOM 0 HG2 LYS A 58 10.748 -10.359 4.585 1.00 54.30 H new ATOM 0 HG3 LYS A 58 11.926 -9.843 5.776 1.00 54.30 H new ATOM 0 HD2 LYS A 58 12.480 -12.107 5.093 1.00 60.44 H new ATOM 0 HD3 LYS A 58 11.933 -12.157 6.757 1.00 60.44 H new ATOM 0 HE2 LYS A 58 10.046 -12.758 4.446 1.00 43.03 H new ATOM 0 HE3 LYS A 58 11.077 -13.997 5.133 1.00 43.03 H new ATOM 0 HZ1 LYS A 58 9.395 -14.336 6.517 1.00 53.53 H new ATOM 0 HZ2 LYS A 58 9.898 -12.929 7.324 1.00 53.53 H new ATOM 0 HZ3 LYS A 58 8.657 -12.847 6.167 1.00 53.53 H new ATOM 974 N LEU A 59 7.785 -8.273 4.939 1.00 22.52 N ATOM 975 CA LEU A 59 7.188 -7.713 3.703 1.00 65.01 C ATOM 976 C LEU A 59 7.186 -6.179 3.762 1.00 53.02 C ATOM 977 O LEU A 59 7.302 -5.521 2.730 1.00 43.21 O ATOM 978 CB LEU A 59 5.744 -8.245 3.449 1.00 5.43 C ATOM 979 CG LEU A 59 5.605 -9.762 3.093 1.00 53.41 C ATOM 980 CD1 LEU A 59 4.129 -10.131 2.816 1.00 51.20 C ATOM 981 CD2 LEU A 59 6.513 -10.151 1.903 1.00 75.20 C ATOM 0 H LEU A 59 7.119 -8.756 5.542 1.00 22.52 H new ATOM 0 HA LEU A 59 7.806 -8.043 2.868 1.00 65.01 H new ATOM 0 HB2 LEU A 59 5.148 -8.049 4.340 1.00 5.43 H new ATOM 0 HB3 LEU A 59 5.305 -7.664 2.638 1.00 5.43 H new ATOM 0 HG LEU A 59 5.939 -10.337 3.957 1.00 53.41 H new ATOM 0 HD11 LEU A 59 4.059 -11.191 2.571 1.00 51.20 H new ATOM 0 HD12 LEU A 59 3.529 -9.923 3.702 1.00 51.20 H new ATOM 0 HD13 LEU A 59 3.757 -9.540 1.979 1.00 51.20 H new ATOM 0 HD21 LEU A 59 6.391 -11.212 1.683 1.00 75.20 H new ATOM 0 HD22 LEU A 59 6.236 -9.565 1.027 1.00 75.20 H new ATOM 0 HD23 LEU A 59 7.554 -9.951 2.159 1.00 75.20 H new ATOM 993 N LEU A 60 7.069 -5.620 4.988 1.00 32.51 N ATOM 994 CA LEU A 60 7.137 -4.168 5.208 1.00 43.15 C ATOM 995 C LEU A 60 8.507 -3.644 4.762 1.00 64.21 C ATOM 996 O LEU A 60 8.595 -2.753 3.912 1.00 40.45 O ATOM 997 CB LEU A 60 6.829 -3.813 6.700 1.00 23.40 C ATOM 998 CG LEU A 60 6.675 -2.275 7.060 1.00 51.50 C ATOM 999 CD1 LEU A 60 5.750 -2.067 8.275 1.00 61.03 C ATOM 1000 CD2 LEU A 60 8.040 -1.576 7.317 1.00 55.12 C ATOM 0 H LEU A 60 6.926 -6.161 5.841 1.00 32.51 H new ATOM 0 HA LEU A 60 6.373 -3.676 4.605 1.00 43.15 H new ATOM 0 HB2 LEU A 60 5.908 -4.321 6.985 1.00 23.40 H new ATOM 0 HB3 LEU A 60 7.626 -4.227 7.318 1.00 23.40 H new ATOM 0 HG LEU A 60 6.223 -1.811 6.183 1.00 51.50 H new ATOM 0 HD11 LEU A 60 5.668 -1.002 8.492 1.00 61.03 H new ATOM 0 HD12 LEU A 60 4.761 -2.469 8.053 1.00 61.03 H new ATOM 0 HD13 LEU A 60 6.165 -2.583 9.141 1.00 61.03 H new ATOM 0 HD21 LEU A 60 7.872 -0.527 7.559 1.00 55.12 H new ATOM 0 HD22 LEU A 60 8.547 -2.063 8.150 1.00 55.12 H new ATOM 0 HD23 LEU A 60 8.659 -1.648 6.423 1.00 55.12 H new ATOM 1012 N GLN A 61 9.560 -4.253 5.325 1.00 63.11 N ATOM 1013 CA GLN A 61 10.952 -3.851 5.086 1.00 4.43 C ATOM 1014 C GLN A 61 11.405 -4.139 3.646 1.00 2.11 C ATOM 1015 O GLN A 61 12.208 -3.385 3.096 1.00 1.53 O ATOM 1016 CB GLN A 61 11.870 -4.554 6.112 1.00 51.52 C ATOM 1017 CG GLN A 61 11.615 -4.117 7.572 1.00 43.32 C ATOM 1018 CD GLN A 61 11.945 -2.637 7.836 1.00 11.31 C ATOM 1019 OE1 GLN A 61 12.833 -2.058 7.205 1.00 64.24 O ATOM 1020 NE2 GLN A 61 11.249 -2.017 8.776 1.00 12.24 N ATOM 0 H GLN A 61 9.468 -5.043 5.963 1.00 63.11 H new ATOM 0 HA GLN A 61 11.022 -2.771 5.216 1.00 4.43 H new ATOM 0 HB2 GLN A 61 11.729 -5.632 6.034 1.00 51.52 H new ATOM 0 HB3 GLN A 61 12.910 -4.349 5.857 1.00 51.52 H new ATOM 0 HG2 GLN A 61 10.569 -4.298 7.820 1.00 43.32 H new ATOM 0 HG3 GLN A 61 12.212 -4.739 8.239 1.00 43.32 H new ATOM 0 HE21 GLN A 61 10.520 -2.517 9.284 1.00 12.24 H new ATOM 0 HE22 GLN A 61 11.442 -1.039 8.992 1.00 12.24 H new ATOM 1029 N LYS A 62 10.874 -5.219 3.036 1.00 1.12 N ATOM 1030 CA LYS A 62 11.260 -5.626 1.674 1.00 4.00 C ATOM 1031 C LYS A 62 10.669 -4.671 0.624 1.00 50.23 C ATOM 1032 O LYS A 62 11.394 -4.201 -0.242 1.00 24.20 O ATOM 1033 CB LYS A 62 10.862 -7.094 1.379 1.00 1.33 C ATOM 1034 CG LYS A 62 11.292 -7.590 -0.028 1.00 22.11 C ATOM 1035 CD LYS A 62 11.122 -9.110 -0.224 1.00 10.14 C ATOM 1036 CE LYS A 62 9.679 -9.595 -0.021 1.00 32.34 C ATOM 1037 NZ LYS A 62 9.580 -11.071 -0.186 1.00 3.32 N ATOM 0 H LYS A 62 10.176 -5.824 3.468 1.00 1.12 H new ATOM 0 HA LYS A 62 12.347 -5.566 1.612 1.00 4.00 H new ATOM 0 HB2 LYS A 62 11.309 -7.740 2.134 1.00 1.33 H new ATOM 0 HB3 LYS A 62 9.781 -7.193 1.474 1.00 1.33 H new ATOM 0 HG2 LYS A 62 10.706 -7.067 -0.784 1.00 22.11 H new ATOM 0 HG3 LYS A 62 12.336 -7.325 -0.194 1.00 22.11 H new ATOM 0 HD2 LYS A 62 11.449 -9.378 -1.229 1.00 10.14 H new ATOM 0 HD3 LYS A 62 11.775 -9.634 0.474 1.00 10.14 H new ATOM 0 HE2 LYS A 62 9.334 -9.314 0.974 1.00 32.34 H new ATOM 0 HE3 LYS A 62 9.022 -9.101 -0.737 1.00 32.34 H new ATOM 0 HZ1 LYS A 62 8.749 -11.423 0.330 1.00 3.32 H new ATOM 0 HZ2 LYS A 62 9.484 -11.302 -1.196 1.00 3.32 H new ATOM 0 HZ3 LYS A 62 10.438 -11.521 0.192 1.00 3.32 H new ATOM 1051 N ILE A 63 9.362 -4.356 0.740 1.00 0.21 N ATOM 1052 CA ILE A 63 8.687 -3.384 -0.156 1.00 72.32 C ATOM 1053 C ILE A 63 9.362 -1.987 -0.013 1.00 74.32 C ATOM 1054 O ILE A 63 9.578 -1.284 -1.003 1.00 53.50 O ATOM 1055 CB ILE A 63 7.108 -3.342 0.116 1.00 14.40 C ATOM 1056 CG1 ILE A 63 6.342 -4.485 -0.661 1.00 73.23 C ATOM 1057 CG2 ILE A 63 6.474 -1.967 -0.216 1.00 54.52 C ATOM 1058 CD1 ILE A 63 6.774 -5.916 -0.359 1.00 73.54 C ATOM 0 H ILE A 63 8.748 -4.761 1.447 1.00 0.21 H new ATOM 0 HA ILE A 63 8.803 -3.705 -1.191 1.00 72.32 H new ATOM 0 HB ILE A 63 6.996 -3.510 1.187 1.00 14.40 H new ATOM 0 HG12 ILE A 63 5.278 -4.395 -0.440 1.00 73.23 H new ATOM 0 HG13 ILE A 63 6.461 -4.310 -1.730 1.00 73.23 H new ATOM 0 HG21 ILE A 63 5.404 -2.001 -0.011 1.00 54.52 H new ATOM 0 HG22 ILE A 63 6.937 -1.195 0.399 1.00 54.52 H new ATOM 0 HG23 ILE A 63 6.635 -1.737 -1.269 1.00 54.52 H new ATOM 0 HD11 ILE A 63 6.177 -6.609 -0.952 1.00 73.54 H new ATOM 0 HD12 ILE A 63 7.828 -6.039 -0.610 1.00 73.54 H new ATOM 0 HD13 ILE A 63 6.627 -6.125 0.701 1.00 73.54 H new ATOM 1070 N LYS A 64 9.766 -1.659 1.231 1.00 21.14 N ATOM 1071 CA LYS A 64 10.459 -0.404 1.579 1.00 24.13 C ATOM 1072 C LYS A 64 11.795 -0.262 0.805 1.00 43.04 C ATOM 1073 O LYS A 64 11.981 0.704 0.060 1.00 54.01 O ATOM 1074 CB LYS A 64 10.663 -0.378 3.128 1.00 31.24 C ATOM 1075 CG LYS A 64 11.340 0.884 3.746 1.00 53.24 C ATOM 1076 CD LYS A 64 12.873 0.736 3.909 1.00 23.42 C ATOM 1077 CE LYS A 64 13.504 1.887 4.704 1.00 64.34 C ATOM 1078 NZ LYS A 64 13.344 3.206 4.034 1.00 43.21 N ATOM 0 H LYS A 64 9.617 -2.269 2.034 1.00 21.14 H new ATOM 0 HA LYS A 64 9.855 0.454 1.283 1.00 24.13 H new ATOM 0 HB2 LYS A 64 9.687 -0.499 3.598 1.00 31.24 H new ATOM 0 HB3 LYS A 64 11.259 -1.248 3.403 1.00 31.24 H new ATOM 0 HG2 LYS A 64 11.130 1.747 3.114 1.00 53.24 H new ATOM 0 HG3 LYS A 64 10.895 1.086 4.720 1.00 53.24 H new ATOM 0 HD2 LYS A 64 13.090 -0.207 4.411 1.00 23.42 H new ATOM 0 HD3 LYS A 64 13.335 0.686 2.923 1.00 23.42 H new ATOM 0 HE2 LYS A 64 13.050 1.930 5.694 1.00 64.34 H new ATOM 0 HE3 LYS A 64 14.565 1.684 4.848 1.00 64.34 H new ATOM 0 HZ1 LYS A 64 13.788 3.946 4.614 1.00 43.21 H new ATOM 0 HZ2 LYS A 64 13.800 3.178 3.100 1.00 43.21 H new ATOM 0 HZ3 LYS A 64 12.332 3.417 3.919 1.00 43.21 H new ATOM 1092 N GLN A 65 12.686 -1.262 0.958 1.00 72.42 N ATOM 1093 CA GLN A 65 14.066 -1.197 0.428 1.00 1.01 C ATOM 1094 C GLN A 65 14.119 -1.436 -1.097 1.00 11.42 C ATOM 1095 O GLN A 65 14.869 -0.759 -1.810 1.00 50.11 O ATOM 1096 CB GLN A 65 14.988 -2.202 1.192 1.00 22.31 C ATOM 1097 CG GLN A 65 14.622 -3.701 1.027 1.00 35.50 C ATOM 1098 CD GLN A 65 15.493 -4.682 1.833 1.00 12.15 C ATOM 1099 OE1 GLN A 65 15.719 -5.817 1.409 1.00 73.34 O ATOM 1100 NE2 GLN A 65 15.955 -4.284 3.011 1.00 52.32 N ATOM 0 H GLN A 65 12.474 -2.131 1.448 1.00 72.42 H new ATOM 0 HA GLN A 65 14.437 -0.186 0.597 1.00 1.01 H new ATOM 0 HB2 GLN A 65 16.014 -2.057 0.853 1.00 22.31 H new ATOM 0 HB3 GLN A 65 14.965 -1.955 2.253 1.00 22.31 H new ATOM 0 HG2 GLN A 65 13.581 -3.839 1.321 1.00 35.50 H new ATOM 0 HG3 GLN A 65 14.692 -3.961 -0.029 1.00 35.50 H new ATOM 0 HE21 GLN A 65 15.757 -3.340 3.344 1.00 52.32 H new ATOM 0 HE22 GLN A 65 16.508 -4.921 3.584 1.00 52.32 H new ATOM 1109 N GLU A 66 13.297 -2.387 -1.586 1.00 23.35 N ATOM 1110 CA GLU A 66 13.300 -2.817 -2.998 1.00 71.34 C ATOM 1111 C GLU A 66 12.627 -1.774 -3.912 1.00 21.11 C ATOM 1112 O GLU A 66 13.068 -1.567 -5.049 1.00 11.30 O ATOM 1113 CB GLU A 66 12.598 -4.196 -3.149 1.00 73.02 C ATOM 1114 CG GLU A 66 13.350 -5.386 -2.515 1.00 32.03 C ATOM 1115 CD GLU A 66 14.679 -5.708 -3.222 1.00 33.22 C ATOM 1116 OE1 GLU A 66 14.656 -6.396 -4.268 1.00 20.01 O ATOM 1117 OE2 GLU A 66 15.747 -5.265 -2.753 1.00 13.10 O ATOM 0 H GLU A 66 12.612 -2.878 -1.012 1.00 23.35 H new ATOM 0 HA GLU A 66 14.340 -2.912 -3.310 1.00 71.34 H new ATOM 0 HB2 GLU A 66 11.606 -4.133 -2.701 1.00 73.02 H new ATOM 0 HB3 GLU A 66 12.456 -4.400 -4.210 1.00 73.02 H new ATOM 0 HG2 GLU A 66 13.548 -5.165 -1.466 1.00 32.03 H new ATOM 0 HG3 GLU A 66 12.709 -6.268 -2.540 1.00 32.03 H new ATOM 1124 N ALA A 67 11.539 -1.149 -3.428 1.00 5.22 N ATOM 1125 CA ALA A 67 10.826 -0.105 -4.193 1.00 53.43 C ATOM 1126 C ALA A 67 11.442 1.287 -3.957 1.00 31.12 C ATOM 1127 O ALA A 67 11.309 2.173 -4.818 1.00 74.11 O ATOM 1128 CB ALA A 67 9.335 -0.116 -3.840 1.00 11.51 C ATOM 0 H ALA A 67 11.133 -1.347 -2.513 1.00 5.22 H new ATOM 0 HA ALA A 67 10.933 -0.329 -5.254 1.00 53.43 H new ATOM 0 HB1 ALA A 67 8.820 0.658 -4.410 1.00 11.51 H new ATOM 0 HB2 ALA A 67 8.910 -1.090 -4.084 1.00 11.51 H new ATOM 0 HB3 ALA A 67 9.212 0.076 -2.774 1.00 11.51 H new ATOM 1134 N ASN A 68 12.104 1.461 -2.789 1.00 74.24 N ATOM 1135 CA ASN A 68 12.748 2.730 -2.377 1.00 24.40 C ATOM 1136 C ASN A 68 11.685 3.842 -2.208 1.00 22.31 C ATOM 1137 O ASN A 68 11.566 4.753 -3.031 1.00 42.14 O ATOM 1138 CB ASN A 68 13.924 3.135 -3.330 1.00 73.14 C ATOM 1139 CG ASN A 68 14.605 4.481 -2.983 1.00 34.32 C ATOM 1140 OD1 ASN A 68 14.625 4.922 -1.835 1.00 4.00 O ATOM 1141 ND2 ASN A 68 15.191 5.130 -3.985 1.00 2.33 N ATOM 0 H ASN A 68 12.207 0.716 -2.099 1.00 74.24 H new ATOM 0 HA ASN A 68 13.213 2.579 -1.403 1.00 24.40 H new ATOM 0 HB2 ASN A 68 14.677 2.347 -3.310 1.00 73.14 H new ATOM 0 HB3 ASN A 68 13.545 3.188 -4.350 1.00 73.14 H new ATOM 0 HD21 ASN A 68 15.670 6.013 -3.810 1.00 2.33 H new ATOM 0 HD22 ASN A 68 15.161 4.745 -4.929 1.00 2.33 H new ATOM 1148 N VAL A 69 10.845 3.679 -1.166 1.00 41.51 N ATOM 1149 CA VAL A 69 9.692 4.578 -0.881 1.00 72.31 C ATOM 1150 C VAL A 69 9.552 4.878 0.620 1.00 31.10 C ATOM 1151 O VAL A 69 10.163 4.209 1.465 1.00 11.11 O ATOM 1152 CB VAL A 69 8.335 3.955 -1.392 1.00 75.05 C ATOM 1153 CG1 VAL A 69 8.285 3.905 -2.924 1.00 13.25 C ATOM 1154 CG2 VAL A 69 8.094 2.548 -0.786 1.00 33.43 C ATOM 0 H VAL A 69 10.942 2.920 -0.492 1.00 41.51 H new ATOM 0 HA VAL A 69 9.896 5.506 -1.414 1.00 72.31 H new ATOM 0 HB VAL A 69 7.531 4.607 -1.052 1.00 75.05 H new ATOM 0 HG11 VAL A 69 7.338 3.471 -3.243 1.00 13.25 H new ATOM 0 HG12 VAL A 69 8.374 4.915 -3.324 1.00 13.25 H new ATOM 0 HG13 VAL A 69 9.108 3.294 -3.295 1.00 13.25 H new ATOM 0 HG21 VAL A 69 7.151 2.148 -1.159 1.00 33.43 H new ATOM 0 HG22 VAL A 69 8.909 1.884 -1.073 1.00 33.43 H new ATOM 0 HG23 VAL A 69 8.052 2.622 0.301 1.00 33.43 H new ATOM 1164 N GLN A 70 8.731 5.906 0.922 1.00 4.52 N ATOM 1165 CA GLN A 70 8.297 6.239 2.285 1.00 13.24 C ATOM 1166 C GLN A 70 7.072 5.374 2.630 1.00 10.13 C ATOM 1167 O GLN A 70 6.005 5.524 2.026 1.00 35.42 O ATOM 1168 CB GLN A 70 7.962 7.762 2.414 1.00 21.30 C ATOM 1169 CG GLN A 70 9.199 8.700 2.464 1.00 15.20 C ATOM 1170 CD GLN A 70 10.042 8.747 1.176 1.00 23.33 C ATOM 1171 OE1 GLN A 70 9.531 8.598 0.065 1.00 64.20 O ATOM 1172 NE2 GLN A 70 11.347 8.967 1.317 1.00 51.42 N ATOM 0 H GLN A 70 8.349 6.533 0.213 1.00 4.52 H new ATOM 0 HA GLN A 70 9.104 6.031 2.987 1.00 13.24 H new ATOM 0 HB2 GLN A 70 7.336 8.054 1.571 1.00 21.30 H new ATOM 0 HB3 GLN A 70 7.372 7.914 3.317 1.00 21.30 H new ATOM 0 HG2 GLN A 70 8.859 9.710 2.693 1.00 15.20 H new ATOM 0 HG3 GLN A 70 9.840 8.385 3.287 1.00 15.20 H new ATOM 0 HE21 GLN A 70 11.746 9.087 2.248 1.00 51.42 H new ATOM 0 HE22 GLN A 70 11.948 9.015 0.494 1.00 51.42 H new ATOM 1181 N VAL A 71 7.249 4.474 3.606 1.00 12.15 N ATOM 1182 CA VAL A 71 6.248 3.461 3.987 1.00 1.01 C ATOM 1183 C VAL A 71 5.472 3.901 5.244 1.00 20.25 C ATOM 1184 O VAL A 71 6.076 4.276 6.254 1.00 53.40 O ATOM 1185 CB VAL A 71 6.949 2.069 4.230 1.00 44.13 C ATOM 1186 CG1 VAL A 71 6.000 1.043 4.888 1.00 51.22 C ATOM 1187 CG2 VAL A 71 7.518 1.521 2.899 1.00 64.45 C ATOM 0 H VAL A 71 8.102 4.426 4.163 1.00 12.15 H new ATOM 0 HA VAL A 71 5.535 3.357 3.169 1.00 1.01 H new ATOM 0 HB VAL A 71 7.770 2.230 4.929 1.00 44.13 H new ATOM 0 HG11 VAL A 71 6.528 0.101 5.035 1.00 51.22 H new ATOM 0 HG12 VAL A 71 5.664 1.425 5.852 1.00 51.22 H new ATOM 0 HG13 VAL A 71 5.138 0.879 4.242 1.00 51.22 H new ATOM 0 HG21 VAL A 71 8.000 0.560 3.078 1.00 64.45 H new ATOM 0 HG22 VAL A 71 6.707 1.393 2.182 1.00 64.45 H new ATOM 0 HG23 VAL A 71 8.248 2.224 2.499 1.00 64.45 H new ATOM 1197 N TYR A 72 4.126 3.842 5.177 1.00 33.32 N ATOM 1198 CA TYR A 72 3.250 4.211 6.301 1.00 43.12 C ATOM 1199 C TYR A 72 2.415 2.996 6.719 1.00 31.21 C ATOM 1200 O TYR A 72 1.434 2.642 6.060 1.00 13.14 O ATOM 1201 CB TYR A 72 2.348 5.410 5.898 1.00 34.52 C ATOM 1202 CG TYR A 72 3.168 6.640 5.481 1.00 13.23 C ATOM 1203 CD1 TYR A 72 3.660 7.542 6.431 1.00 42.03 C ATOM 1204 CD2 TYR A 72 3.491 6.875 4.140 1.00 21.34 C ATOM 1205 CE1 TYR A 72 4.436 8.626 6.058 1.00 54.11 C ATOM 1206 CE2 TYR A 72 4.258 7.958 3.771 1.00 14.50 C ATOM 1207 CZ TYR A 72 4.732 8.828 4.725 1.00 71.35 C ATOM 1208 OH TYR A 72 5.513 9.905 4.347 1.00 11.04 O ATOM 0 H TYR A 72 3.621 3.538 4.345 1.00 33.32 H new ATOM 0 HA TYR A 72 3.853 4.520 7.154 1.00 43.12 H new ATOM 0 HB2 TYR A 72 1.698 5.113 5.075 1.00 34.52 H new ATOM 0 HB3 TYR A 72 1.702 5.673 6.735 1.00 34.52 H new ATOM 0 HD1 TYR A 72 3.430 7.390 7.475 1.00 42.03 H new ATOM 0 HD2 TYR A 72 3.133 6.195 3.381 1.00 21.34 H new ATOM 0 HE1 TYR A 72 4.808 9.310 6.806 1.00 54.11 H new ATOM 0 HE2 TYR A 72 4.488 8.125 2.729 1.00 14.50 H new ATOM 0 HH TYR A 72 5.627 9.901 3.374 1.00 11.04 H new ATOM 1218 N ARG A 73 2.852 2.337 7.801 1.00 35.21 N ATOM 1219 CA ARG A 73 2.072 1.300 8.471 1.00 22.23 C ATOM 1220 C ARG A 73 0.974 1.998 9.276 1.00 5.24 C ATOM 1221 O ARG A 73 1.274 2.768 10.204 1.00 60.20 O ATOM 1222 CB ARG A 73 2.964 0.437 9.404 1.00 5.35 C ATOM 1223 CG ARG A 73 2.180 -0.603 10.249 1.00 73.33 C ATOM 1224 CD ARG A 73 3.076 -1.396 11.213 1.00 13.40 C ATOM 1225 NE ARG A 73 3.756 -0.525 12.185 1.00 42.02 N ATOM 1226 CZ ARG A 73 4.875 -0.835 12.856 1.00 2.30 C ATOM 1227 NH1 ARG A 73 5.489 -2.008 12.683 1.00 33.22 N ATOM 1228 NH2 ARG A 73 5.377 0.044 13.709 1.00 74.32 N ATOM 0 H ARG A 73 3.759 2.512 8.233 1.00 35.21 H new ATOM 0 HA ARG A 73 1.640 0.625 7.732 1.00 22.23 H new ATOM 0 HB2 ARG A 73 3.704 -0.087 8.799 1.00 5.35 H new ATOM 0 HB3 ARG A 73 3.512 1.097 10.077 1.00 5.35 H new ATOM 0 HG2 ARG A 73 1.407 -0.089 10.821 1.00 73.33 H new ATOM 0 HG3 ARG A 73 1.673 -1.298 9.580 1.00 73.33 H new ATOM 0 HD2 ARG A 73 2.472 -2.130 11.746 1.00 13.40 H new ATOM 0 HD3 ARG A 73 3.821 -1.950 10.641 1.00 13.40 H new ATOM 0 HE ARG A 73 3.342 0.390 12.363 1.00 42.02 H new ATOM 0 HH11 ARG A 73 5.108 -2.691 12.029 1.00 33.22 H new ATOM 0 HH12 ARG A 73 6.339 -2.221 13.205 1.00 33.22 H new ATOM 0 HH21 ARG A 73 4.913 0.942 13.848 1.00 74.32 H new ATOM 0 HH22 ARG A 73 6.227 -0.177 14.227 1.00 74.32 H new ATOM 1242 N VAL A 74 -0.285 1.771 8.894 1.00 73.22 N ATOM 1243 CA VAL A 74 -1.435 2.393 9.560 1.00 14.43 C ATOM 1244 C VAL A 74 -2.009 1.441 10.621 1.00 32.45 C ATOM 1245 O VAL A 74 -2.104 0.228 10.403 1.00 13.22 O ATOM 1246 CB VAL A 74 -2.532 2.842 8.523 1.00 33.05 C ATOM 1247 CG1 VAL A 74 -1.949 3.890 7.540 1.00 1.54 C ATOM 1248 CG2 VAL A 74 -3.147 1.647 7.758 1.00 64.22 C ATOM 0 H VAL A 74 -0.536 1.156 8.120 1.00 73.22 H new ATOM 0 HA VAL A 74 -1.093 3.298 10.063 1.00 14.43 H new ATOM 0 HB VAL A 74 -3.343 3.301 9.088 1.00 33.05 H new ATOM 0 HG11 VAL A 74 -2.719 4.190 6.830 1.00 1.54 H new ATOM 0 HG12 VAL A 74 -1.610 4.763 8.098 1.00 1.54 H new ATOM 0 HG13 VAL A 74 -1.108 3.454 7.001 1.00 1.54 H new ATOM 0 HG21 VAL A 74 -3.897 2.011 7.056 1.00 64.22 H new ATOM 0 HG22 VAL A 74 -2.363 1.123 7.211 1.00 64.22 H new ATOM 0 HG23 VAL A 74 -3.615 0.963 8.466 1.00 64.22 H new ATOM 1258 N THR A 75 -2.302 1.999 11.800 1.00 61.14 N ATOM 1259 CA THR A 75 -2.948 1.269 12.903 1.00 4.44 C ATOM 1260 C THR A 75 -4.473 1.261 12.708 1.00 71.54 C ATOM 1261 O THR A 75 -5.158 0.304 13.089 1.00 53.01 O ATOM 1262 CB THR A 75 -2.584 1.925 14.277 1.00 63.11 C ATOM 1263 OG1 THR A 75 -2.826 3.347 14.216 1.00 64.03 O ATOM 1264 CG2 THR A 75 -1.117 1.664 14.670 1.00 12.33 C ATOM 0 H THR A 75 -2.098 2.974 12.020 1.00 61.14 H new ATOM 0 HA THR A 75 -2.586 0.241 12.901 1.00 4.44 H new ATOM 0 HB THR A 75 -3.217 1.470 15.039 1.00 63.11 H new ATOM 0 HG1 THR A 75 -2.599 3.755 15.078 1.00 64.03 H new ATOM 0 HG21 THR A 75 -0.908 2.137 15.630 1.00 12.33 H new ATOM 0 HG22 THR A 75 -0.947 0.590 14.750 1.00 12.33 H new ATOM 0 HG23 THR A 75 -0.457 2.080 13.909 1.00 12.33 H new ATOM 1272 N SER A 76 -4.982 2.335 12.091 1.00 41.34 N ATOM 1273 CA SER A 76 -6.413 2.529 11.829 1.00 62.33 C ATOM 1274 C SER A 76 -6.594 3.175 10.444 1.00 14.24 C ATOM 1275 O SER A 76 -5.628 3.705 9.873 1.00 72.34 O ATOM 1276 CB SER A 76 -7.026 3.419 12.938 1.00 70.21 C ATOM 1277 OG SER A 76 -8.416 3.587 12.753 1.00 73.14 O ATOM 0 H SER A 76 -4.403 3.104 11.755 1.00 41.34 H new ATOM 0 HA SER A 76 -6.927 1.568 11.835 1.00 62.33 H new ATOM 0 HB2 SER A 76 -6.839 2.969 13.913 1.00 70.21 H new ATOM 0 HB3 SER A 76 -6.537 4.393 12.937 1.00 70.21 H new ATOM 0 HG SER A 76 -8.636 4.542 12.773 1.00 73.14 H new ATOM 1283 N ASN A 77 -7.845 3.149 9.927 1.00 43.01 N ATOM 1284 CA ASN A 77 -8.191 3.741 8.621 1.00 44.13 C ATOM 1285 C ASN A 77 -8.048 5.281 8.666 1.00 13.14 C ATOM 1286 O ASN A 77 -7.824 5.893 7.635 1.00 54.23 O ATOM 1287 CB ASN A 77 -9.621 3.316 8.172 1.00 2.34 C ATOM 1288 CG ASN A 77 -9.937 3.659 6.702 1.00 63.43 C ATOM 1289 OD1 ASN A 77 -10.460 4.728 6.388 1.00 22.33 O ATOM 1290 ND2 ASN A 77 -9.617 2.753 5.787 1.00 73.33 N ATOM 0 H ASN A 77 -8.637 2.718 10.404 1.00 43.01 H new ATOM 0 HA ASN A 77 -7.490 3.360 7.878 1.00 44.13 H new ATOM 0 HB2 ASN A 77 -9.734 2.242 8.317 1.00 2.34 H new ATOM 0 HB3 ASN A 77 -10.354 3.803 8.815 1.00 2.34 H new ATOM 0 HD21 ASN A 77 -9.804 2.936 4.801 1.00 73.33 H new ATOM 0 HD22 ASN A 77 -9.184 1.874 6.070 1.00 73.33 H new ATOM 1297 N ASP A 78 -8.135 5.877 9.887 1.00 14.24 N ATOM 1298 CA ASP A 78 -7.925 7.337 10.117 1.00 32.31 C ATOM 1299 C ASP A 78 -6.554 7.793 9.599 1.00 33.41 C ATOM 1300 O ASP A 78 -6.433 8.847 8.970 1.00 32.43 O ATOM 1301 CB ASP A 78 -8.027 7.686 11.626 1.00 41.41 C ATOM 1302 CG ASP A 78 -9.407 7.395 12.228 1.00 33.42 C ATOM 1303 OD1 ASP A 78 -10.296 8.269 12.164 1.00 21.42 O ATOM 1304 OD2 ASP A 78 -9.612 6.292 12.770 1.00 24.34 O ATOM 0 H ASP A 78 -8.352 5.361 10.739 1.00 14.24 H new ATOM 0 HA ASP A 78 -8.709 7.858 9.568 1.00 32.31 H new ATOM 0 HB2 ASP A 78 -7.274 7.120 12.174 1.00 41.41 H new ATOM 0 HB3 ASP A 78 -7.795 8.742 11.763 1.00 41.41 H new ATOM 1309 N GLU A 79 -5.531 6.966 9.876 1.00 54.11 N ATOM 1310 CA GLU A 79 -4.136 7.223 9.472 1.00 2.52 C ATOM 1311 C GLU A 79 -4.012 7.180 7.937 1.00 31.51 C ATOM 1312 O GLU A 79 -3.389 8.055 7.320 1.00 62.44 O ATOM 1313 CB GLU A 79 -3.209 6.166 10.124 1.00 52.41 C ATOM 1314 CG GLU A 79 -3.291 6.104 11.661 1.00 20.42 C ATOM 1315 CD GLU A 79 -2.747 7.367 12.354 1.00 73.02 C ATOM 1316 OE1 GLU A 79 -1.514 7.470 12.534 1.00 51.41 O ATOM 1317 OE2 GLU A 79 -3.543 8.266 12.710 1.00 32.54 O ATOM 0 H GLU A 79 -5.649 6.093 10.391 1.00 54.11 H new ATOM 0 HA GLU A 79 -3.836 8.215 9.810 1.00 2.52 H new ATOM 0 HB2 GLU A 79 -3.458 5.185 9.720 1.00 52.41 H new ATOM 0 HB3 GLU A 79 -2.179 6.378 9.836 1.00 52.41 H new ATOM 0 HG2 GLU A 79 -4.330 5.955 11.956 1.00 20.42 H new ATOM 0 HG3 GLU A 79 -2.732 5.237 12.013 1.00 20.42 H new ATOM 1324 N LEU A 80 -4.665 6.153 7.346 1.00 65.25 N ATOM 1325 CA LEU A 80 -4.764 5.957 5.889 1.00 53.31 C ATOM 1326 C LEU A 80 -5.370 7.211 5.225 1.00 65.20 C ATOM 1327 O LEU A 80 -4.816 7.717 4.248 1.00 22.33 O ATOM 1328 CB LEU A 80 -5.605 4.655 5.617 1.00 41.35 C ATOM 1329 CG LEU A 80 -5.981 4.262 4.136 1.00 12.52 C ATOM 1330 CD1 LEU A 80 -7.225 5.006 3.606 1.00 1.33 C ATOM 1331 CD2 LEU A 80 -4.781 4.432 3.182 1.00 70.35 C ATOM 0 H LEU A 80 -5.144 5.428 7.880 1.00 65.25 H new ATOM 0 HA LEU A 80 -3.777 5.821 5.446 1.00 53.31 H new ATOM 0 HB2 LEU A 80 -5.056 3.817 6.047 1.00 41.35 H new ATOM 0 HB3 LEU A 80 -6.536 4.746 6.176 1.00 41.35 H new ATOM 0 HG LEU A 80 -6.245 3.205 4.165 1.00 12.52 H new ATOM 0 HD11 LEU A 80 -7.429 4.690 2.583 1.00 1.33 H new ATOM 0 HD12 LEU A 80 -8.084 4.774 4.236 1.00 1.33 H new ATOM 0 HD13 LEU A 80 -7.042 6.080 3.624 1.00 1.33 H new ATOM 0 HD21 LEU A 80 -5.077 4.152 2.171 1.00 70.35 H new ATOM 0 HD22 LEU A 80 -4.455 5.472 3.190 1.00 70.35 H new ATOM 0 HD23 LEU A 80 -3.962 3.792 3.510 1.00 70.35 H new ATOM 1343 N GLU A 81 -6.477 7.717 5.819 1.00 0.51 N ATOM 1344 CA GLU A 81 -7.231 8.885 5.313 1.00 10.04 C ATOM 1345 C GLU A 81 -6.333 10.122 5.196 1.00 4.51 C ATOM 1346 O GLU A 81 -6.455 10.881 4.238 1.00 72.50 O ATOM 1347 CB GLU A 81 -8.432 9.192 6.249 1.00 64.55 C ATOM 1348 CG GLU A 81 -9.525 8.110 6.252 1.00 71.42 C ATOM 1349 CD GLU A 81 -10.624 8.370 7.288 1.00 32.21 C ATOM 1350 OE1 GLU A 81 -11.397 9.334 7.118 1.00 13.22 O ATOM 1351 OE2 GLU A 81 -10.749 7.599 8.261 1.00 1.20 O ATOM 0 H GLU A 81 -6.874 7.321 6.671 1.00 0.51 H new ATOM 0 HA GLU A 81 -7.600 8.638 4.318 1.00 10.04 H new ATOM 0 HB2 GLU A 81 -8.061 9.320 7.266 1.00 64.55 H new ATOM 0 HB3 GLU A 81 -8.877 10.141 5.950 1.00 64.55 H new ATOM 0 HG2 GLU A 81 -9.974 8.053 5.261 1.00 71.42 H new ATOM 0 HG3 GLU A 81 -9.068 7.141 6.451 1.00 71.42 H new ATOM 1358 N GLN A 82 -5.416 10.277 6.167 1.00 51.40 N ATOM 1359 CA GLN A 82 -4.530 11.450 6.252 1.00 71.21 C ATOM 1360 C GLN A 82 -3.404 11.379 5.208 1.00 74.13 C ATOM 1361 O GLN A 82 -3.033 12.408 4.629 1.00 54.04 O ATOM 1362 CB GLN A 82 -3.955 11.595 7.683 1.00 71.41 C ATOM 1363 CG GLN A 82 -5.039 11.785 8.769 1.00 25.14 C ATOM 1364 CD GLN A 82 -5.961 13.001 8.545 1.00 25.05 C ATOM 1365 OE1 GLN A 82 -5.557 14.034 8.001 1.00 34.45 O ATOM 1366 NE2 GLN A 82 -7.221 12.880 8.942 1.00 13.22 N ATOM 0 H GLN A 82 -5.269 9.596 6.912 1.00 51.40 H new ATOM 0 HA GLN A 82 -5.124 12.337 6.031 1.00 71.21 H new ATOM 0 HB2 GLN A 82 -3.366 10.709 7.920 1.00 71.41 H new ATOM 0 HB3 GLN A 82 -3.275 12.446 7.708 1.00 71.41 H new ATOM 0 HG2 GLN A 82 -5.651 10.884 8.815 1.00 25.14 H new ATOM 0 HG3 GLN A 82 -4.551 11.889 9.738 1.00 25.14 H new ATOM 0 HE21 GLN A 82 -7.534 12.018 9.389 1.00 13.22 H new ATOM 0 HE22 GLN A 82 -7.876 13.648 8.800 1.00 13.22 H new ATOM 1375 N VAL A 83 -2.872 10.162 4.964 1.00 14.40 N ATOM 1376 CA VAL A 83 -1.848 9.946 3.913 1.00 72.14 C ATOM 1377 C VAL A 83 -2.466 10.177 2.510 1.00 43.34 C ATOM 1378 O VAL A 83 -1.791 10.678 1.592 1.00 0.32 O ATOM 1379 CB VAL A 83 -1.183 8.517 4.009 1.00 73.04 C ATOM 1380 CG1 VAL A 83 -0.013 8.372 2.996 1.00 62.11 C ATOM 1381 CG2 VAL A 83 -0.699 8.221 5.453 1.00 54.34 C ATOM 0 H VAL A 83 -3.131 9.318 5.475 1.00 14.40 H new ATOM 0 HA VAL A 83 -1.052 10.673 4.074 1.00 72.14 H new ATOM 0 HB VAL A 83 -1.945 7.782 3.751 1.00 73.04 H new ATOM 0 HG11 VAL A 83 0.425 7.378 3.086 1.00 62.11 H new ATOM 0 HG12 VAL A 83 -0.389 8.513 1.983 1.00 62.11 H new ATOM 0 HG13 VAL A 83 0.747 9.124 3.208 1.00 62.11 H new ATOM 0 HG21 VAL A 83 -0.246 7.230 5.489 1.00 54.34 H new ATOM 0 HG22 VAL A 83 0.037 8.968 5.750 1.00 54.34 H new ATOM 0 HG23 VAL A 83 -1.548 8.256 6.136 1.00 54.34 H new ATOM 1391 N VAL A 84 -3.771 9.834 2.367 1.00 11.10 N ATOM 1392 CA VAL A 84 -4.547 10.141 1.148 1.00 2.31 C ATOM 1393 C VAL A 84 -4.739 11.666 1.004 1.00 15.22 C ATOM 1394 O VAL A 84 -4.566 12.198 -0.082 1.00 42.32 O ATOM 1395 CB VAL A 84 -5.953 9.425 1.103 1.00 61.03 C ATOM 1396 CG1 VAL A 84 -6.731 9.803 -0.187 1.00 12.21 C ATOM 1397 CG2 VAL A 84 -5.810 7.888 1.215 1.00 53.13 C ATOM 0 H VAL A 84 -4.305 9.344 3.085 1.00 11.10 H new ATOM 0 HA VAL A 84 -3.965 9.753 0.312 1.00 2.31 H new ATOM 0 HB VAL A 84 -6.522 9.775 1.964 1.00 61.03 H new ATOM 0 HG11 VAL A 84 -7.696 9.296 -0.192 1.00 12.21 H new ATOM 0 HG12 VAL A 84 -6.888 10.881 -0.215 1.00 12.21 H new ATOM 0 HG13 VAL A 84 -6.156 9.498 -1.061 1.00 12.21 H new ATOM 0 HG21 VAL A 84 -6.797 7.427 1.181 1.00 53.13 H new ATOM 0 HG22 VAL A 84 -5.207 7.517 0.386 1.00 53.13 H new ATOM 0 HG23 VAL A 84 -5.324 7.635 2.158 1.00 53.13 H new ATOM 1407 N LYS A 85 -5.052 12.357 2.116 1.00 1.41 N ATOM 1408 CA LYS A 85 -5.261 13.830 2.125 1.00 15.50 C ATOM 1409 C LYS A 85 -3.998 14.603 1.683 1.00 63.54 C ATOM 1410 O LYS A 85 -4.097 15.755 1.239 1.00 14.52 O ATOM 1411 CB LYS A 85 -5.722 14.308 3.529 1.00 21.32 C ATOM 1412 CG LYS A 85 -7.194 13.970 3.875 1.00 42.23 C ATOM 1413 CD LYS A 85 -7.580 14.411 5.308 1.00 3.12 C ATOM 1414 CE LYS A 85 -7.386 15.923 5.541 1.00 1.31 C ATOM 1415 NZ LYS A 85 -7.680 16.314 6.941 1.00 23.22 N ATOM 0 H LYS A 85 -5.168 11.921 3.031 1.00 1.41 H new ATOM 0 HA LYS A 85 -6.045 14.046 1.399 1.00 15.50 H new ATOM 0 HB2 LYS A 85 -5.074 13.860 4.282 1.00 21.32 H new ATOM 0 HB3 LYS A 85 -5.586 15.388 3.593 1.00 21.32 H new ATOM 0 HG2 LYS A 85 -7.854 14.458 3.158 1.00 42.23 H new ATOM 0 HG3 LYS A 85 -7.351 12.896 3.774 1.00 42.23 H new ATOM 0 HD2 LYS A 85 -8.622 14.150 5.495 1.00 3.12 H new ATOM 0 HD3 LYS A 85 -6.978 13.857 6.028 1.00 3.12 H new ATOM 0 HE2 LYS A 85 -6.360 16.198 5.296 1.00 1.31 H new ATOM 0 HE3 LYS A 85 -8.036 16.480 4.866 1.00 1.31 H new ATOM 0 HZ1 LYS A 85 -7.424 17.312 7.084 1.00 23.22 H new ATOM 0 HZ2 LYS A 85 -8.694 16.186 7.131 1.00 23.22 H new ATOM 0 HZ3 LYS A 85 -7.128 15.719 7.591 1.00 23.22 H new ATOM 1429 N ASP A 86 -2.819 13.965 1.818 1.00 3.21 N ATOM 1430 CA ASP A 86 -1.538 14.553 1.402 1.00 65.23 C ATOM 1431 C ASP A 86 -1.278 14.306 -0.100 1.00 24.31 C ATOM 1432 O ASP A 86 -0.806 15.210 -0.801 1.00 74.15 O ATOM 1433 CB ASP A 86 -0.376 13.995 2.262 1.00 31.32 C ATOM 1434 CG ASP A 86 0.956 14.731 2.003 1.00 72.32 C ATOM 1435 OD1 ASP A 86 1.159 15.820 2.583 1.00 4.40 O ATOM 1436 OD2 ASP A 86 1.800 14.236 1.227 1.00 12.33 O ATOM 0 H ASP A 86 -2.732 13.031 2.218 1.00 3.21 H new ATOM 0 HA ASP A 86 -1.593 15.630 1.560 1.00 65.23 H new ATOM 0 HB2 ASP A 86 -0.636 14.080 3.317 1.00 31.32 H new ATOM 0 HB3 ASP A 86 -0.248 12.933 2.050 1.00 31.32 H new ATOM 1441 N VAL A 87 -1.594 13.081 -0.597 1.00 10.32 N ATOM 1442 CA VAL A 87 -1.380 12.729 -2.030 1.00 63.12 C ATOM 1443 C VAL A 87 -2.436 13.422 -2.925 1.00 72.52 C ATOM 1444 O VAL A 87 -2.180 13.700 -4.099 1.00 74.20 O ATOM 1445 CB VAL A 87 -1.380 11.167 -2.280 1.00 60.22 C ATOM 1446 CG1 VAL A 87 -2.783 10.546 -2.110 1.00 61.33 C ATOM 1447 CG2 VAL A 87 -0.781 10.821 -3.669 1.00 72.42 C ATOM 0 H VAL A 87 -1.993 12.328 -0.036 1.00 10.32 H new ATOM 0 HA VAL A 87 -0.389 13.094 -2.300 1.00 63.12 H new ATOM 0 HB VAL A 87 -0.742 10.725 -1.515 1.00 60.22 H new ATOM 0 HG11 VAL A 87 -2.730 9.473 -2.292 1.00 61.33 H new ATOM 0 HG12 VAL A 87 -3.140 10.725 -1.096 1.00 61.33 H new ATOM 0 HG13 VAL A 87 -3.471 11.001 -2.822 1.00 61.33 H new ATOM 0 HG21 VAL A 87 -0.794 9.741 -3.812 1.00 72.42 H new ATOM 0 HG22 VAL A 87 -1.374 11.298 -4.450 1.00 72.42 H new ATOM 0 HG23 VAL A 87 0.246 11.181 -3.722 1.00 72.42 H new ATOM 1457 N LYS A 88 -3.618 13.692 -2.333 1.00 75.21 N ATOM 1458 CA LYS A 88 -4.691 14.489 -2.951 1.00 21.32 C ATOM 1459 C LYS A 88 -4.173 15.900 -3.263 1.00 23.20 C ATOM 1460 O LYS A 88 -3.368 16.441 -2.490 1.00 60.44 O ATOM 1461 CB LYS A 88 -5.916 14.587 -1.983 1.00 11.32 C ATOM 1462 CG LYS A 88 -6.840 13.341 -1.934 1.00 33.13 C ATOM 1463 CD LYS A 88 -7.730 13.206 -3.193 1.00 21.13 C ATOM 1464 CE LYS A 88 -8.755 14.357 -3.330 1.00 15.33 C ATOM 1465 NZ LYS A 88 -9.534 14.255 -4.595 1.00 21.35 N ATOM 0 H LYS A 88 -3.854 13.356 -1.399 1.00 75.21 H new ATOM 0 HA LYS A 88 -5.004 14.002 -3.875 1.00 21.32 H new ATOM 0 HB2 LYS A 88 -5.545 14.781 -0.977 1.00 11.32 H new ATOM 0 HB3 LYS A 88 -6.516 15.450 -2.273 1.00 11.32 H new ATOM 0 HG2 LYS A 88 -6.229 12.445 -1.829 1.00 33.13 H new ATOM 0 HG3 LYS A 88 -7.475 13.399 -1.050 1.00 33.13 H new ATOM 0 HD2 LYS A 88 -7.096 13.183 -4.079 1.00 21.13 H new ATOM 0 HD3 LYS A 88 -8.261 12.255 -3.156 1.00 21.13 H new ATOM 0 HE2 LYS A 88 -9.437 14.339 -2.480 1.00 15.33 H new ATOM 0 HE3 LYS A 88 -8.234 15.314 -3.300 1.00 15.33 H new ATOM 0 HZ1 LYS A 88 -10.210 15.043 -4.651 1.00 21.35 H new ATOM 0 HZ2 LYS A 88 -8.885 14.297 -5.407 1.00 21.35 H new ATOM 0 HZ3 LYS A 88 -10.052 13.353 -4.612 1.00 21.35 H new ATOM 1479 N GLY A 89 -4.621 16.470 -4.398 1.00 60.22 N ATOM 1480 CA GLY A 89 -4.396 17.886 -4.694 1.00 41.41 C ATOM 1481 C GLY A 89 -5.000 18.745 -3.599 1.00 72.44 C ATOM 1482 O GLY A 89 -6.195 19.048 -3.643 1.00 72.13 O ATOM 0 H GLY A 89 -5.139 15.968 -5.119 1.00 60.22 H new ATOM 0 HA2 GLY A 89 -3.327 18.084 -4.776 1.00 41.41 H new ATOM 0 HA3 GLY A 89 -4.842 18.141 -5.656 1.00 41.41 H new ATOM 1486 N SER A 90 -4.150 19.077 -2.601 1.00 2.05 N ATOM 1487 CA SER A 90 -4.563 19.602 -1.294 1.00 11.02 C ATOM 1488 C SER A 90 -5.440 20.863 -1.432 1.00 4.32 C ATOM 1489 O SER A 90 -4.933 21.992 -1.541 1.00 34.14 O ATOM 1490 CB SER A 90 -3.317 19.885 -0.425 1.00 41.23 C ATOM 1491 OG SER A 90 -3.671 20.251 0.896 1.00 0.25 O ATOM 0 H SER A 90 -3.138 18.983 -2.691 1.00 2.05 H new ATOM 0 HA SER A 90 -5.174 18.845 -0.802 1.00 11.02 H new ATOM 0 HB2 SER A 90 -2.683 18.999 -0.399 1.00 41.23 H new ATOM 0 HB3 SER A 90 -2.731 20.684 -0.879 1.00 41.23 H new ATOM 0 HG SER A 90 -2.859 20.421 1.417 1.00 0.25 H new ATOM 1497 N GLY A 91 -6.762 20.626 -1.473 1.00 5.33 N ATOM 1498 CA GLY A 91 -7.749 21.680 -1.626 1.00 72.41 C ATOM 1499 C GLY A 91 -7.804 22.574 -0.406 1.00 31.45 C ATOM 1500 O GLY A 91 -8.139 22.101 0.684 1.00 62.41 O ATOM 0 H GLY A 91 -7.166 19.692 -1.400 1.00 5.33 H new ATOM 0 HA2 GLY A 91 -7.510 22.278 -2.505 1.00 72.41 H new ATOM 0 HA3 GLY A 91 -8.730 21.238 -1.798 1.00 72.41 H new ATOM 1504 N LEU A 92 -7.405 23.845 -0.568 1.00 52.42 N ATOM 1505 CA LEU A 92 -7.559 24.877 0.466 1.00 63.43 C ATOM 1506 C LEU A 92 -9.041 25.263 0.556 1.00 61.22 C ATOM 1507 O LEU A 92 -9.453 26.344 0.123 1.00 73.00 O ATOM 1508 CB LEU A 92 -6.666 26.112 0.138 1.00 35.35 C ATOM 1509 CG LEU A 92 -5.126 25.871 0.171 1.00 62.15 C ATOM 1510 CD1 LEU A 92 -4.348 27.126 -0.283 1.00 10.31 C ATOM 1511 CD2 LEU A 92 -4.674 25.413 1.575 1.00 44.01 C ATOM 0 H LEU A 92 -6.965 24.186 -1.423 1.00 52.42 H new ATOM 0 HA LEU A 92 -7.233 24.492 1.432 1.00 63.43 H new ATOM 0 HB2 LEU A 92 -6.935 26.477 -0.853 1.00 35.35 H new ATOM 0 HB3 LEU A 92 -6.905 26.906 0.846 1.00 35.35 H new ATOM 0 HG LEU A 92 -4.898 25.073 -0.536 1.00 62.15 H new ATOM 0 HD11 LEU A 92 -3.278 26.923 -0.248 1.00 10.31 H new ATOM 0 HD12 LEU A 92 -4.635 27.383 -1.303 1.00 10.31 H new ATOM 0 HD13 LEU A 92 -4.581 27.959 0.381 1.00 10.31 H new ATOM 0 HD21 LEU A 92 -3.596 25.251 1.575 1.00 44.01 H new ATOM 0 HD22 LEU A 92 -4.926 26.181 2.307 1.00 44.01 H new ATOM 0 HD23 LEU A 92 -5.181 24.484 1.835 1.00 44.01 H new ATOM 1523 N GLU A 93 -9.844 24.324 1.077 1.00 71.12 N ATOM 1524 CA GLU A 93 -11.292 24.467 1.193 1.00 43.25 C ATOM 1525 C GLU A 93 -11.609 25.347 2.422 1.00 52.54 C ATOM 1526 O GLU A 93 -11.938 24.871 3.510 1.00 20.35 O ATOM 1527 CB GLU A 93 -11.986 23.065 1.209 1.00 62.44 C ATOM 1528 CG GLU A 93 -11.415 22.049 2.226 1.00 24.12 C ATOM 1529 CD GLU A 93 -12.083 20.661 2.145 1.00 75.35 C ATOM 1530 OE1 GLU A 93 -13.210 20.503 2.660 1.00 55.04 O ATOM 1531 OE2 GLU A 93 -11.484 19.722 1.572 1.00 33.45 O ATOM 0 H GLU A 93 -9.496 23.434 1.433 1.00 71.12 H new ATOM 0 HA GLU A 93 -11.704 24.976 0.321 1.00 43.25 H new ATOM 0 HB2 GLU A 93 -13.046 23.206 1.420 1.00 62.44 H new ATOM 0 HB3 GLU A 93 -11.914 22.632 0.211 1.00 62.44 H new ATOM 0 HG2 GLU A 93 -10.344 21.939 2.056 1.00 24.12 H new ATOM 0 HG3 GLU A 93 -11.539 22.446 3.234 1.00 24.12 H new ATOM 1538 N HIS A 94 -11.432 26.660 2.213 1.00 22.23 N ATOM 1539 CA HIS A 94 -11.551 27.696 3.251 1.00 32.02 C ATOM 1540 C HIS A 94 -12.945 28.358 3.169 1.00 74.43 C ATOM 1541 O HIS A 94 -13.116 29.534 3.502 1.00 31.42 O ATOM 1542 CB HIS A 94 -10.395 28.736 3.052 1.00 52.20 C ATOM 1543 CG HIS A 94 -10.080 29.601 4.258 1.00 70.13 C ATOM 1544 ND1 HIS A 94 -9.130 29.255 5.197 1.00 65.32 N ATOM 1545 CD2 HIS A 94 -10.561 30.806 4.655 1.00 44.42 C ATOM 1546 CE1 HIS A 94 -9.042 30.203 6.106 1.00 15.51 C ATOM 1547 NE2 HIS A 94 -9.898 31.154 5.800 1.00 74.23 N ATOM 0 H HIS A 94 -11.197 27.040 1.296 1.00 22.23 H new ATOM 0 HA HIS A 94 -11.457 27.260 4.246 1.00 32.02 H new ATOM 0 HB2 HIS A 94 -9.491 28.198 2.766 1.00 52.20 H new ATOM 0 HB3 HIS A 94 -10.655 29.387 2.218 1.00 52.20 H new ATOM 0 HD2 HIS A 94 -11.326 31.384 4.159 1.00 44.42 H new ATOM 0 HE1 HIS A 94 -8.379 30.201 6.959 1.00 15.51 H new ATOM 0 HE2 HIS A 94 -10.044 32.013 6.331 1.00 74.23 H new ATOM 1556 N HIS A 95 -13.953 27.584 2.721 1.00 31.11 N ATOM 1557 CA HIS A 95 -15.353 28.027 2.713 1.00 54.33 C ATOM 1558 C HIS A 95 -15.932 27.808 4.115 1.00 73.11 C ATOM 1559 O HIS A 95 -16.185 28.779 4.840 1.00 65.44 O ATOM 1560 CB HIS A 95 -16.176 27.262 1.647 1.00 24.53 C ATOM 1561 CG HIS A 95 -15.653 27.409 0.244 1.00 64.51 C ATOM 1562 ND1 HIS A 95 -15.120 26.366 -0.481 1.00 51.33 N ATOM 1563 CD2 HIS A 95 -15.606 28.483 -0.570 1.00 21.44 C ATOM 1564 CE1 HIS A 95 -14.774 26.797 -1.677 1.00 3.41 C ATOM 1565 NE2 HIS A 95 -15.056 28.079 -1.756 1.00 32.12 N ATOM 0 H HIS A 95 -13.817 26.641 2.358 1.00 31.11 H new ATOM 0 HA HIS A 95 -15.403 29.084 2.452 1.00 54.33 H new ATOM 0 HB2 HIS A 95 -16.193 26.204 1.908 1.00 24.53 H new ATOM 0 HB3 HIS A 95 -17.207 27.615 1.678 1.00 24.53 H new ATOM 0 HD2 HIS A 95 -15.942 29.481 -0.330 1.00 21.44 H new ATOM 0 HE1 HIS A 95 -14.333 26.198 -2.460 1.00 3.41 H new ATOM 0 HE2 HIS A 95 -14.892 28.674 -2.568 1.00 32.12 H new ATOM 1574 N HIS A 96 -16.064 26.508 4.501 1.00 12.53 N ATOM 1575 CA HIS A 96 -16.634 26.084 5.800 1.00 0.31 C ATOM 1576 C HIS A 96 -17.994 26.765 6.017 1.00 74.14 C ATOM 1577 O HIS A 96 -18.223 27.372 7.059 1.00 12.25 O ATOM 1578 CB HIS A 96 -15.642 26.373 6.970 1.00 33.12 C ATOM 1579 CG HIS A 96 -14.332 25.638 6.877 1.00 62.21 C ATOM 1580 ND1 HIS A 96 -13.144 26.250 6.543 1.00 15.32 N ATOM 1581 CD2 HIS A 96 -14.031 24.332 7.075 1.00 35.42 C ATOM 1582 CE1 HIS A 96 -12.177 25.358 6.549 1.00 63.21 C ATOM 1583 NE2 HIS A 96 -12.686 24.186 6.866 1.00 61.10 N ATOM 0 H HIS A 96 -15.775 25.726 3.913 1.00 12.53 H new ATOM 0 HA HIS A 96 -16.793 25.006 5.784 1.00 0.31 H new ATOM 0 HB2 HIS A 96 -15.441 27.444 7.002 1.00 33.12 H new ATOM 0 HB3 HIS A 96 -16.125 26.111 7.911 1.00 33.12 H new ATOM 0 HD2 HIS A 96 -14.724 23.550 7.348 1.00 35.42 H new ATOM 0 HE1 HIS A 96 -11.138 25.555 6.330 1.00 63.21 H new ATOM 0 HE2 HIS A 96 -12.164 23.313 6.943 1.00 61.10 H new ATOM 1592 N HIS A 97 -18.868 26.627 4.990 1.00 0.22 N ATOM 1593 CA HIS A 97 -20.080 27.455 4.786 1.00 3.33 C ATOM 1594 C HIS A 97 -20.928 27.644 6.074 1.00 12.32 C ATOM 1595 O HIS A 97 -21.754 26.809 6.434 1.00 4.45 O ATOM 1596 CB HIS A 97 -20.929 26.904 3.593 1.00 71.24 C ATOM 1597 CG HIS A 97 -21.516 25.520 3.774 1.00 24.23 C ATOM 1598 ND1 HIS A 97 -22.863 25.255 3.655 1.00 23.22 N ATOM 1599 CD2 HIS A 97 -20.935 24.331 4.067 1.00 72.33 C ATOM 1600 CE1 HIS A 97 -23.083 23.977 3.874 1.00 75.05 C ATOM 1601 NE2 HIS A 97 -21.929 23.398 4.121 1.00 12.44 N ATOM 0 H HIS A 97 -18.746 25.920 4.265 1.00 0.22 H new ATOM 0 HA HIS A 97 -19.737 28.457 4.527 1.00 3.33 H new ATOM 0 HB2 HIS A 97 -21.746 27.600 3.403 1.00 71.24 H new ATOM 0 HB3 HIS A 97 -20.302 26.897 2.701 1.00 71.24 H new ATOM 0 HD2 HIS A 97 -19.882 24.155 4.228 1.00 72.33 H new ATOM 0 HE1 HIS A 97 -24.046 23.488 3.854 1.00 75.05 H new ATOM 0 HE2 HIS A 97 -21.797 22.407 4.322 1.00 12.44 H new ATOM 1610 N HIS A 98 -20.622 28.735 6.801 1.00 32.04 N ATOM 1611 CA HIS A 98 -21.365 29.169 7.992 1.00 22.32 C ATOM 1612 C HIS A 98 -22.319 30.298 7.575 1.00 25.03 C ATOM 1613 O HIS A 98 -22.015 31.490 7.733 1.00 74.11 O ATOM 1614 CB HIS A 98 -20.396 29.641 9.124 1.00 4.43 C ATOM 1615 CG HIS A 98 -19.462 28.583 9.650 1.00 43.33 C ATOM 1616 ND1 HIS A 98 -18.092 28.733 9.677 1.00 64.31 N ATOM 1617 CD2 HIS A 98 -19.706 27.359 10.187 1.00 11.31 C ATOM 1618 CE1 HIS A 98 -17.540 27.658 10.203 1.00 24.51 C ATOM 1619 NE2 HIS A 98 -18.495 26.813 10.517 1.00 61.14 N ATOM 0 H HIS A 98 -19.839 29.347 6.571 1.00 32.04 H new ATOM 0 HA HIS A 98 -21.934 28.332 8.396 1.00 22.32 H new ATOM 0 HB2 HIS A 98 -19.801 30.474 8.748 1.00 4.43 H new ATOM 0 HB3 HIS A 98 -20.991 30.023 9.954 1.00 4.43 H new ATOM 0 HD2 HIS A 98 -20.675 26.902 10.327 1.00 11.31 H new ATOM 0 HE1 HIS A 98 -16.482 27.499 10.351 1.00 24.51 H new ATOM 0 HE2 HIS A 98 -18.356 25.895 10.940 1.00 61.14 H new ATOM 1628 N HIS A 99 -23.445 29.903 6.968 1.00 30.52 N ATOM 1629 CA HIS A 99 -24.480 30.827 6.481 1.00 33.31 C ATOM 1630 C HIS A 99 -25.801 30.532 7.228 1.00 52.45 C ATOM 1631 O HIS A 99 -26.204 31.332 8.093 1.00 4.44 O ATOM 1632 CB HIS A 99 -24.655 30.680 4.942 1.00 53.53 C ATOM 1633 CG HIS A 99 -25.710 31.592 4.360 1.00 63.34 C ATOM 1634 ND1 HIS A 99 -27.007 31.187 4.112 1.00 63.31 N ATOM 1635 CD2 HIS A 99 -25.658 32.896 3.999 1.00 33.03 C ATOM 1636 CE1 HIS A 99 -27.696 32.199 3.629 1.00 12.31 C ATOM 1637 NE2 HIS A 99 -26.901 33.241 3.551 1.00 31.23 N ATOM 1638 OXT HIS A 99 -26.419 29.478 6.968 1.00 38.10 O ATOM 0 H HIS A 99 -23.667 28.922 6.799 1.00 30.52 H new ATOM 0 HA HIS A 99 -24.183 31.857 6.678 1.00 33.31 H new ATOM 0 HB2 HIS A 99 -23.701 30.886 4.456 1.00 53.53 H new ATOM 0 HB3 HIS A 99 -24.914 29.646 4.712 1.00 53.53 H new ATOM 0 HD2 HIS A 99 -24.795 33.542 4.055 1.00 33.03 H new ATOM 0 HE1 HIS A 99 -28.738 32.176 3.345 1.00 12.31 H new ATOM 0 HE2 HIS A 99 -27.170 34.164 3.209 1.00 31.23 H new TER 1647 HIS A 99