USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 914 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 86 GLN : amide:sc= -0.491 K(o=-0.42,f=-0.95) USER MOD Set 1.2: A 88 LYS NZ :NH3+ 137:sc= 0.0694 (180deg=0) USER MOD Set 2.1: A 7 HIS : no HD1:sc= 0.493 K(o=1,f=-2.4) USER MOD Set 2.2: A 9 SER OG : rot 24:sc= 0.536 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0234) USER MOD Single : A 4 SER OG : rot 40:sc= 0.25 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -108:sc= 0.765 (180deg=-1.04!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.0427 K(o=-0.043,f=-0.85) USER MOD Single : A 27 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.54) USER MOD Single : A 31 LYS NZ :NH3+ -108:sc= -1.13 (180deg=-3.59!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.714 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0851 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.1) USER MOD Single : A 50 GLN : amide:sc= -1.41 K(o=-1.4,f=-0.0024) USER MOD Single : A 52 LYS NZ :NH3+ -172:sc= 1.13 (180deg=1.08) USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= 0.507 (180deg=0.424) USER MOD Single : A 59 HIS : no HD1:sc= -0.714 K(o=-0.71,f=0.13) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 71 ASN : amide:sc= -0.54 X(o=-0.54,f=-0.9) USER MOD Single : A 72 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.6) USER MOD Single : A 74 THR OG1 : rot 71:sc= 1.1 USER MOD Single : A 78 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.85) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -122:sc= 0.882 (180deg=-0.0137) USER MOD Single : A 85 ASN : amide:sc= -0.629 X(o=-0.63,f=-0.53) USER MOD Single : A 87 ASN : amide:sc= -0.291 K(o=-0.29,f=-3.2!) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 162:sc= 0 (180deg=-0.536) USER MOD Single : A 96 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.46) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0.55 USER MOD Single : A 108 ASN : amide:sc= -0.76 K(o=-0.76,f=-0.027) USER MOD Single : A 111 HIS : no HE2:sc= -0.565 K(o=-0.57,f=-2.1!) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.013 X(o=-0.013,f=-0.36) USER MOD Single : A 114 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.024) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 116 HIS : no HD1:sc=-0.00133 X(o=-0.0013,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.875 -32.455 -3.801 1.00 52.24 N ATOM 2 CA MET A 1 9.688 -31.970 -4.561 1.00 12.42 C ATOM 3 C MET A 1 9.392 -32.860 -5.778 1.00 1.14 C ATOM 4 O MET A 1 9.939 -32.647 -6.862 1.00 2.32 O ATOM 5 CB MET A 1 9.901 -30.523 -5.043 1.00 51.25 C ATOM 6 CG MET A 1 10.089 -29.505 -3.930 1.00 5.14 C ATOM 7 SD MET A 1 10.232 -27.822 -4.566 1.00 51.13 S ATOM 8 CE MET A 1 10.429 -26.891 -3.048 1.00 3.04 C ATOM 0 H1 MET A 1 10.984 -31.893 -2.933 1.00 52.24 H new ATOM 0 H2 MET A 1 10.742 -33.456 -3.552 1.00 52.24 H new ATOM 0 H3 MET A 1 11.728 -32.355 -4.388 1.00 52.24 H new ATOM 0 HA MET A 1 8.838 -32.010 -3.879 1.00 12.42 H new ATOM 0 HB2 MET A 1 10.775 -30.496 -5.693 1.00 51.25 H new ATOM 0 HB3 MET A 1 9.044 -30.226 -5.648 1.00 51.25 H new ATOM 0 HG2 MET A 1 9.246 -29.561 -3.242 1.00 5.14 H new ATOM 0 HG3 MET A 1 10.984 -29.754 -3.359 1.00 5.14 H new ATOM 0 HE1 MET A 1 10.530 -25.831 -3.282 1.00 3.04 H new ATOM 0 HE2 MET A 1 9.556 -27.041 -2.413 1.00 3.04 H new ATOM 0 HE3 MET A 1 11.322 -27.233 -2.524 1.00 3.04 H new ATOM 20 N ALA A 2 8.544 -33.869 -5.594 1.00 20.04 N ATOM 21 CA ALA A 2 8.062 -34.684 -6.716 1.00 43.32 C ATOM 22 C ALA A 2 6.804 -34.054 -7.326 1.00 42.33 C ATOM 23 O ALA A 2 6.592 -34.096 -8.539 1.00 21.10 O ATOM 24 CB ALA A 2 7.787 -36.113 -6.265 1.00 3.54 C ATOM 0 H ALA A 2 8.175 -34.144 -4.684 1.00 20.04 H new ATOM 0 HA ALA A 2 8.838 -34.716 -7.481 1.00 43.32 H new ATOM 0 HB1 ALA A 2 7.431 -36.700 -7.112 1.00 3.54 H new ATOM 0 HB2 ALA A 2 8.705 -36.555 -5.878 1.00 3.54 H new ATOM 0 HB3 ALA A 2 7.028 -36.108 -5.482 1.00 3.54 H new ATOM 30 N ALA A 3 5.967 -33.481 -6.469 1.00 10.21 N ATOM 31 CA ALA A 3 4.818 -32.685 -6.905 1.00 21.35 C ATOM 32 C ALA A 3 5.003 -31.219 -6.482 1.00 51.05 C ATOM 33 O ALA A 3 4.922 -30.892 -5.299 1.00 15.10 O ATOM 34 CB ALA A 3 3.526 -33.249 -6.319 1.00 60.05 C ATOM 0 H ALA A 3 6.062 -33.552 -5.456 1.00 10.21 H new ATOM 0 HA ALA A 3 4.751 -32.731 -7.992 1.00 21.35 H new ATOM 0 HB1 ALA A 3 2.682 -32.646 -6.653 1.00 60.05 H new ATOM 0 HB2 ALA A 3 3.393 -34.277 -6.655 1.00 60.05 H new ATOM 0 HB3 ALA A 3 3.580 -33.227 -5.231 1.00 60.05 H new ATOM 40 N SER A 4 5.275 -30.342 -7.448 1.00 51.12 N ATOM 41 CA SER A 4 5.565 -28.928 -7.151 1.00 24.22 C ATOM 42 C SER A 4 4.310 -28.047 -7.250 1.00 62.31 C ATOM 43 O SER A 4 3.676 -27.969 -8.301 1.00 44.34 O ATOM 44 CB SER A 4 6.649 -28.389 -8.100 1.00 43.43 C ATOM 45 OG SER A 4 6.242 -28.470 -9.461 1.00 52.45 O ATOM 0 H SER A 4 5.302 -30.578 -8.440 1.00 51.12 H new ATOM 0 HA SER A 4 5.925 -28.886 -6.123 1.00 24.22 H new ATOM 0 HB2 SER A 4 6.872 -27.352 -7.847 1.00 43.43 H new ATOM 0 HB3 SER A 4 7.570 -28.956 -7.961 1.00 43.43 H new ATOM 0 HG SER A 4 5.296 -28.225 -9.535 1.00 52.45 H new ATOM 51 N THR A 5 3.959 -27.390 -6.146 1.00 52.34 N ATOM 52 CA THR A 5 2.823 -26.454 -6.121 1.00 61.22 C ATOM 53 C THR A 5 3.312 -24.999 -6.189 1.00 2.41 C ATOM 54 O THR A 5 4.180 -24.592 -5.411 1.00 44.11 O ATOM 55 CB THR A 5 1.964 -26.626 -4.841 1.00 4.33 C ATOM 56 OG1 THR A 5 1.595 -28.003 -4.663 1.00 63.21 O ATOM 57 CG2 THR A 5 0.702 -25.771 -4.905 1.00 3.45 C ATOM 0 H THR A 5 4.442 -27.485 -5.253 1.00 52.34 H new ATOM 0 HA THR A 5 2.211 -26.683 -6.993 1.00 61.22 H new ATOM 0 HB THR A 5 2.568 -26.299 -3.995 1.00 4.33 H new ATOM 0 HG1 THR A 5 1.055 -28.095 -3.850 1.00 63.21 H new ATOM 0 HG21 THR A 5 0.120 -25.912 -3.994 1.00 3.45 H new ATOM 0 HG22 THR A 5 0.978 -24.721 -5.000 1.00 3.45 H new ATOM 0 HG23 THR A 5 0.105 -26.068 -5.767 1.00 3.45 H new ATOM 65 N VAL A 6 2.758 -24.219 -7.114 1.00 0.13 N ATOM 66 CA VAL A 6 3.132 -22.806 -7.257 1.00 53.42 C ATOM 67 C VAL A 6 2.559 -21.956 -6.105 1.00 72.54 C ATOM 68 O VAL A 6 1.461 -22.224 -5.608 1.00 64.22 O ATOM 69 CB VAL A 6 2.656 -22.231 -8.621 1.00 20.34 C ATOM 70 CG1 VAL A 6 1.134 -22.276 -8.734 1.00 14.35 C ATOM 71 CG2 VAL A 6 3.179 -20.809 -8.834 1.00 54.43 C ATOM 0 H VAL A 6 2.050 -24.536 -7.776 1.00 0.13 H new ATOM 0 HA VAL A 6 4.220 -22.758 -7.219 1.00 53.42 H new ATOM 0 HB VAL A 6 3.070 -22.860 -9.409 1.00 20.34 H new ATOM 0 HG11 VAL A 6 0.828 -21.868 -9.697 1.00 14.35 H new ATOM 0 HG12 VAL A 6 0.793 -23.308 -8.653 1.00 14.35 H new ATOM 0 HG13 VAL A 6 0.692 -21.684 -7.933 1.00 14.35 H new ATOM 0 HG21 VAL A 6 2.830 -20.433 -9.796 1.00 54.43 H new ATOM 0 HG22 VAL A 6 2.811 -20.163 -8.037 1.00 54.43 H new ATOM 0 HG23 VAL A 6 4.269 -20.816 -8.821 1.00 54.43 H new ATOM 81 N HIS A 7 3.306 -20.942 -5.670 1.00 2.34 N ATOM 82 CA HIS A 7 2.844 -20.050 -4.598 1.00 60.44 C ATOM 83 C HIS A 7 2.886 -18.583 -5.044 1.00 11.14 C ATOM 84 O HIS A 7 3.907 -17.905 -4.907 1.00 43.32 O ATOM 85 CB HIS A 7 3.687 -20.243 -3.327 1.00 71.21 C ATOM 86 CG HIS A 7 3.198 -19.431 -2.160 1.00 20.42 C ATOM 87 ND1 HIS A 7 3.625 -18.145 -1.896 1.00 13.21 N ATOM 88 CD2 HIS A 7 2.297 -19.723 -1.193 1.00 2.22 C ATOM 89 CE1 HIS A 7 3.010 -17.688 -0.826 1.00 50.41 C ATOM 90 NE2 HIS A 7 2.198 -18.621 -0.381 1.00 71.31 N ATOM 0 H HIS A 7 4.230 -20.715 -6.039 1.00 2.34 H new ATOM 0 HA HIS A 7 1.810 -20.310 -4.373 1.00 60.44 H new ATOM 0 HB2 HIS A 7 3.683 -21.298 -3.054 1.00 71.21 H new ATOM 0 HB3 HIS A 7 4.721 -19.973 -3.541 1.00 71.21 H new ATOM 0 HD2 HIS A 7 1.756 -20.651 -1.081 1.00 2.22 H new ATOM 0 HE1 HIS A 7 3.149 -16.711 -0.387 1.00 50.41 H new ATOM 0 HE2 HIS A 7 1.592 -18.539 0.436 1.00 71.31 H new ATOM 99 N THR A 8 1.775 -18.095 -5.588 1.00 4.21 N ATOM 100 CA THR A 8 1.688 -16.699 -6.032 1.00 23.12 C ATOM 101 C THR A 8 1.615 -15.738 -4.839 1.00 30.24 C ATOM 102 O THR A 8 0.539 -15.457 -4.315 1.00 63.55 O ATOM 103 CB THR A 8 0.469 -16.468 -6.963 1.00 73.52 C ATOM 104 OG1 THR A 8 0.567 -17.320 -8.116 1.00 62.24 O ATOM 105 CG2 THR A 8 0.378 -15.013 -7.421 1.00 62.14 C ATOM 0 H THR A 8 0.924 -18.639 -5.733 1.00 4.21 H new ATOM 0 HA THR A 8 2.597 -16.493 -6.596 1.00 23.12 H new ATOM 0 HB THR A 8 -0.430 -16.706 -6.395 1.00 73.52 H new ATOM 0 HG1 THR A 8 -0.206 -17.171 -8.699 1.00 62.24 H new ATOM 0 HG21 THR A 8 -0.488 -14.890 -8.071 1.00 62.14 H new ATOM 0 HG22 THR A 8 0.274 -14.364 -6.552 1.00 62.14 H new ATOM 0 HG23 THR A 8 1.283 -14.746 -7.967 1.00 62.14 H new ATOM 113 N SER A 9 2.778 -15.264 -4.395 1.00 33.21 N ATOM 114 CA SER A 9 2.857 -14.298 -3.287 1.00 10.02 C ATOM 115 C SER A 9 2.448 -12.890 -3.742 1.00 52.45 C ATOM 116 O SER A 9 2.238 -12.644 -4.929 1.00 22.42 O ATOM 117 CB SER A 9 4.279 -14.260 -2.704 1.00 34.23 C ATOM 118 OG SER A 9 4.662 -15.521 -2.180 1.00 5.21 O ATOM 0 H SER A 9 3.683 -15.530 -4.783 1.00 33.21 H new ATOM 0 HA SER A 9 2.161 -14.627 -2.516 1.00 10.02 H new ATOM 0 HB2 SER A 9 4.983 -13.959 -3.480 1.00 34.23 H new ATOM 0 HB3 SER A 9 4.330 -13.507 -1.917 1.00 34.23 H new ATOM 0 HG SER A 9 4.141 -16.228 -2.615 1.00 5.21 H new ATOM 124 N PHE A 10 2.342 -11.963 -2.794 1.00 71.43 N ATOM 125 CA PHE A 10 1.903 -10.595 -3.096 1.00 53.11 C ATOM 126 C PHE A 10 2.912 -9.557 -2.584 1.00 5.54 C ATOM 127 O PHE A 10 3.508 -9.732 -1.521 1.00 45.15 O ATOM 128 CB PHE A 10 0.521 -10.345 -2.480 1.00 62.20 C ATOM 129 CG PHE A 10 -0.512 -11.347 -2.934 1.00 62.31 C ATOM 130 CD1 PHE A 10 -1.205 -11.162 -4.121 1.00 71.14 C ATOM 131 CD2 PHE A 10 -0.781 -12.480 -2.177 1.00 24.50 C ATOM 132 CE1 PHE A 10 -2.141 -12.085 -4.546 1.00 15.42 C ATOM 133 CE2 PHE A 10 -1.718 -13.405 -2.598 1.00 23.11 C ATOM 134 CZ PHE A 10 -2.398 -13.208 -3.782 1.00 34.33 C ATOM 0 H PHE A 10 2.553 -12.129 -1.810 1.00 71.43 H new ATOM 0 HA PHE A 10 1.840 -10.488 -4.179 1.00 53.11 H new ATOM 0 HB2 PHE A 10 0.601 -10.380 -1.393 1.00 62.20 H new ATOM 0 HB3 PHE A 10 0.187 -9.341 -2.743 1.00 62.20 H new ATOM 0 HD1 PHE A 10 -1.010 -10.285 -4.721 1.00 71.14 H new ATOM 0 HD2 PHE A 10 -0.252 -12.640 -1.249 1.00 24.50 H new ATOM 0 HE1 PHE A 10 -2.671 -11.929 -5.474 1.00 15.42 H new ATOM 0 HE2 PHE A 10 -1.918 -14.282 -2.000 1.00 23.11 H new ATOM 0 HZ PHE A 10 -3.130 -13.930 -4.112 1.00 34.33 H new ATOM 144 N ILE A 11 3.110 -8.487 -3.357 1.00 35.44 N ATOM 145 CA ILE A 11 4.064 -7.424 -2.999 1.00 14.42 C ATOM 146 C ILE A 11 3.372 -6.050 -2.971 1.00 25.31 C ATOM 147 O ILE A 11 2.702 -5.666 -3.930 1.00 24.03 O ATOM 148 CB ILE A 11 5.247 -7.366 -4.005 1.00 72.51 C ATOM 149 CG1 ILE A 11 5.879 -8.758 -4.186 1.00 5.30 C ATOM 150 CG2 ILE A 11 6.297 -6.355 -3.541 1.00 64.23 C ATOM 151 CD1 ILE A 11 7.042 -8.779 -5.159 1.00 54.45 C ATOM 0 H ILE A 11 2.622 -8.329 -4.239 1.00 35.44 H new ATOM 0 HA ILE A 11 4.447 -7.661 -2.006 1.00 14.42 H new ATOM 0 HB ILE A 11 4.858 -7.041 -4.970 1.00 72.51 H new ATOM 0 HG12 ILE A 11 6.221 -9.120 -3.217 1.00 5.30 H new ATOM 0 HG13 ILE A 11 5.114 -9.452 -4.534 1.00 5.30 H new ATOM 0 HG21 ILE A 11 7.118 -6.328 -4.258 1.00 64.23 H new ATOM 0 HG22 ILE A 11 5.844 -5.366 -3.471 1.00 64.23 H new ATOM 0 HG23 ILE A 11 6.679 -6.649 -2.563 1.00 64.23 H new ATOM 0 HD11 ILE A 11 7.435 -9.793 -5.234 1.00 54.45 H new ATOM 0 HD12 ILE A 11 6.702 -8.448 -6.140 1.00 54.45 H new ATOM 0 HD13 ILE A 11 7.826 -8.111 -4.803 1.00 54.45 H new ATOM 163 N LEU A 12 3.540 -5.313 -1.875 1.00 52.24 N ATOM 164 CA LEU A 12 2.920 -3.988 -1.733 1.00 20.34 C ATOM 165 C LEU A 12 3.812 -2.870 -2.298 1.00 72.11 C ATOM 166 O LEU A 12 5.003 -2.784 -1.982 1.00 52.22 O ATOM 167 CB LEU A 12 2.607 -3.693 -0.259 1.00 43.54 C ATOM 168 CG LEU A 12 1.937 -2.332 0.009 1.00 1.41 C ATOM 169 CD1 LEU A 12 0.540 -2.276 -0.607 1.00 14.22 C ATOM 170 CD2 LEU A 12 1.879 -2.038 1.503 1.00 30.00 C ATOM 0 H LEU A 12 4.097 -5.605 -1.072 1.00 52.24 H new ATOM 0 HA LEU A 12 1.994 -4.008 -2.308 1.00 20.34 H new ATOM 0 HB2 LEU A 12 1.958 -4.481 0.123 1.00 43.54 H new ATOM 0 HB3 LEU A 12 3.536 -3.741 0.310 1.00 43.54 H new ATOM 0 HG LEU A 12 2.546 -1.563 -0.466 1.00 1.41 H new ATOM 0 HD11 LEU A 12 0.091 -1.304 -0.402 1.00 14.22 H new ATOM 0 HD12 LEU A 12 0.611 -2.423 -1.685 1.00 14.22 H new ATOM 0 HD13 LEU A 12 -0.080 -3.061 -0.174 1.00 14.22 H new ATOM 0 HD21 LEU A 12 1.402 -1.072 1.665 1.00 30.00 H new ATOM 0 HD22 LEU A 12 1.304 -2.816 2.005 1.00 30.00 H new ATOM 0 HD23 LEU A 12 2.890 -2.016 1.909 1.00 30.00 H new ATOM 182 N LYS A 13 3.224 -2.019 -3.136 1.00 3.51 N ATOM 183 CA LYS A 13 3.916 -0.852 -3.692 1.00 73.32 C ATOM 184 C LYS A 13 3.242 0.455 -3.259 1.00 3.10 C ATOM 185 O LYS A 13 2.015 0.531 -3.157 1.00 15.15 O ATOM 186 CB LYS A 13 3.949 -0.926 -5.223 1.00 22.54 C ATOM 187 CG LYS A 13 4.671 -2.154 -5.758 1.00 5.41 C ATOM 188 CD LYS A 13 4.713 -2.171 -7.282 1.00 43.24 C ATOM 189 CE LYS A 13 3.315 -2.206 -7.889 1.00 42.11 C ATOM 190 NZ LYS A 13 3.351 -2.571 -9.329 1.00 23.43 N ATOM 0 H LYS A 13 2.258 -2.116 -3.450 1.00 3.51 H new ATOM 0 HA LYS A 13 4.935 -0.862 -3.306 1.00 73.32 H new ATOM 0 HB2 LYS A 13 2.927 -0.923 -5.601 1.00 22.54 H new ATOM 0 HB3 LYS A 13 4.435 -0.031 -5.611 1.00 22.54 H new ATOM 0 HG2 LYS A 13 5.688 -2.176 -5.367 1.00 5.41 H new ATOM 0 HG3 LYS A 13 4.172 -3.054 -5.399 1.00 5.41 H new ATOM 0 HD2 LYS A 13 5.242 -1.288 -7.640 1.00 43.24 H new ATOM 0 HD3 LYS A 13 5.277 -3.040 -7.620 1.00 43.24 H new ATOM 0 HE2 LYS A 13 2.700 -2.924 -7.347 1.00 42.11 H new ATOM 0 HE3 LYS A 13 2.843 -1.230 -7.772 1.00 42.11 H new ATOM 0 HZ1 LYS A 13 3.133 -1.733 -9.905 1.00 23.43 H new ATOM 0 HZ2 LYS A 13 4.298 -2.923 -9.574 1.00 23.43 H new ATOM 0 HZ3 LYS A 13 2.646 -3.313 -9.517 1.00 23.43 H new ATOM 204 N VAL A 14 4.050 1.482 -3.011 1.00 13.15 N ATOM 205 CA VAL A 14 3.541 2.804 -2.635 1.00 74.41 C ATOM 206 C VAL A 14 4.120 3.904 -3.542 1.00 71.43 C ATOM 207 O VAL A 14 5.321 4.179 -3.520 1.00 42.11 O ATOM 208 CB VAL A 14 3.864 3.142 -1.155 1.00 21.32 C ATOM 209 CG1 VAL A 14 3.358 4.538 -0.792 1.00 40.25 C ATOM 210 CG2 VAL A 14 3.273 2.091 -0.217 1.00 32.33 C ATOM 0 H VAL A 14 5.067 1.426 -3.063 1.00 13.15 H new ATOM 0 HA VAL A 14 2.459 2.768 -2.760 1.00 74.41 H new ATOM 0 HB VAL A 14 4.947 3.133 -1.036 1.00 21.32 H new ATOM 0 HG11 VAL A 14 3.596 4.752 0.250 1.00 40.25 H new ATOM 0 HG12 VAL A 14 3.838 5.277 -1.433 1.00 40.25 H new ATOM 0 HG13 VAL A 14 2.278 4.582 -0.934 1.00 40.25 H new ATOM 0 HG21 VAL A 14 3.512 2.349 0.815 1.00 32.33 H new ATOM 0 HG22 VAL A 14 2.191 2.059 -0.342 1.00 32.33 H new ATOM 0 HG23 VAL A 14 3.694 1.114 -0.454 1.00 32.33 H new ATOM 220 N LEU A 15 3.258 4.528 -4.338 1.00 53.35 N ATOM 221 CA LEU A 15 3.663 5.637 -5.204 1.00 32.34 C ATOM 222 C LEU A 15 3.712 6.937 -4.382 1.00 15.24 C ATOM 223 O LEU A 15 2.674 7.518 -4.053 1.00 1.41 O ATOM 224 CB LEU A 15 2.680 5.766 -6.386 1.00 33.24 C ATOM 225 CG LEU A 15 3.233 6.417 -7.676 1.00 13.12 C ATOM 226 CD1 LEU A 15 2.160 6.454 -8.763 1.00 73.35 C ATOM 227 CD2 LEU A 15 3.771 7.823 -7.416 1.00 15.24 C ATOM 0 H LEU A 15 2.269 4.285 -4.404 1.00 53.35 H new ATOM 0 HA LEU A 15 4.657 5.444 -5.609 1.00 32.34 H new ATOM 0 HB2 LEU A 15 2.315 4.770 -6.636 1.00 33.24 H new ATOM 0 HB3 LEU A 15 1.820 6.347 -6.053 1.00 33.24 H new ATOM 0 HG LEU A 15 4.064 5.802 -8.020 1.00 13.12 H new ATOM 0 HD11 LEU A 15 2.569 6.915 -9.662 1.00 73.35 H new ATOM 0 HD12 LEU A 15 1.838 5.438 -8.991 1.00 73.35 H new ATOM 0 HD13 LEU A 15 1.307 7.035 -8.413 1.00 73.35 H new ATOM 0 HD21 LEU A 15 4.150 8.245 -8.347 1.00 15.24 H new ATOM 0 HD22 LEU A 15 2.970 8.454 -7.031 1.00 15.24 H new ATOM 0 HD23 LEU A 15 4.578 7.774 -6.685 1.00 15.24 H new ATOM 239 N TRP A 16 4.920 7.378 -4.047 1.00 34.04 N ATOM 240 CA TRP A 16 5.114 8.534 -3.165 1.00 21.51 C ATOM 241 C TRP A 16 5.280 9.827 -3.980 1.00 23.24 C ATOM 242 O TRP A 16 6.238 9.973 -4.741 1.00 13.42 O ATOM 243 CB TRP A 16 6.349 8.297 -2.275 1.00 12.45 C ATOM 244 CG TRP A 16 6.415 9.184 -1.063 1.00 12.23 C ATOM 245 CD1 TRP A 16 6.964 10.432 -0.980 1.00 51.05 C ATOM 246 CD2 TRP A 16 5.917 8.878 0.248 1.00 73.40 C ATOM 247 NE1 TRP A 16 6.839 10.919 0.300 1.00 4.23 N ATOM 248 CE2 TRP A 16 6.199 9.984 1.071 1.00 4.42 C ATOM 249 CE3 TRP A 16 5.260 7.775 0.802 1.00 74.15 C ATOM 250 CZ2 TRP A 16 5.847 10.017 2.420 1.00 2.21 C ATOM 251 CZ3 TRP A 16 4.911 7.809 2.141 1.00 62.25 C ATOM 252 CH2 TRP A 16 5.204 8.922 2.936 1.00 52.43 C ATOM 0 H TRP A 16 5.788 6.952 -4.373 1.00 34.04 H new ATOM 0 HA TRP A 16 4.231 8.649 -2.536 1.00 21.51 H new ATOM 0 HB2 TRP A 16 6.355 7.256 -1.950 1.00 12.45 H new ATOM 0 HB3 TRP A 16 7.248 8.450 -2.872 1.00 12.45 H new ATOM 0 HD1 TRP A 16 7.429 10.959 -1.800 1.00 51.05 H new ATOM 0 HE1 TRP A 16 7.169 11.828 0.623 1.00 4.23 H new ATOM 0 HE3 TRP A 16 5.029 6.912 0.196 1.00 74.15 H new ATOM 0 HZ2 TRP A 16 6.073 10.875 3.036 1.00 2.21 H new ATOM 0 HZ3 TRP A 16 4.404 6.962 2.579 1.00 62.25 H new ATOM 0 HH2 TRP A 16 4.918 8.918 3.977 1.00 52.43 H new ATOM 263 N LEU A 17 4.339 10.760 -3.821 1.00 10.43 N ATOM 264 CA LEU A 17 4.360 12.022 -4.573 1.00 43.21 C ATOM 265 C LEU A 17 4.750 13.218 -3.689 1.00 33.35 C ATOM 266 O LEU A 17 5.030 13.069 -2.498 1.00 43.02 O ATOM 267 CB LEU A 17 2.984 12.276 -5.210 1.00 22.44 C ATOM 268 CG LEU A 17 2.563 11.273 -6.296 1.00 1.22 C ATOM 269 CD1 LEU A 17 1.137 11.546 -6.762 1.00 10.51 C ATOM 270 CD2 LEU A 17 3.533 11.322 -7.476 1.00 15.43 C ATOM 0 H LEU A 17 3.552 10.668 -3.179 1.00 10.43 H new ATOM 0 HA LEU A 17 5.118 11.925 -5.350 1.00 43.21 H new ATOM 0 HB2 LEU A 17 2.231 12.269 -4.422 1.00 22.44 H new ATOM 0 HB3 LEU A 17 2.983 13.276 -5.643 1.00 22.44 H new ATOM 0 HG LEU A 17 2.594 10.272 -5.866 1.00 1.22 H new ATOM 0 HD11 LEU A 17 0.861 10.824 -7.530 1.00 10.51 H new ATOM 0 HD12 LEU A 17 0.454 11.455 -5.917 1.00 10.51 H new ATOM 0 HD13 LEU A 17 1.075 12.554 -7.172 1.00 10.51 H new ATOM 0 HD21 LEU A 17 3.219 10.605 -8.235 1.00 15.43 H new ATOM 0 HD22 LEU A 17 3.536 12.325 -7.903 1.00 15.43 H new ATOM 0 HD23 LEU A 17 4.537 11.071 -7.133 1.00 15.43 H new ATOM 282 N ASP A 18 4.761 14.407 -4.297 1.00 42.02 N ATOM 283 CA ASP A 18 5.065 15.660 -3.594 1.00 74.24 C ATOM 284 C ASP A 18 4.246 15.790 -2.292 1.00 31.33 C ATOM 285 O ASP A 18 4.804 15.872 -1.193 1.00 61.14 O ATOM 286 CB ASP A 18 4.774 16.835 -4.537 1.00 2.21 C ATOM 287 CG ASP A 18 5.078 18.190 -3.923 1.00 44.34 C ATOM 288 OD1 ASP A 18 6.264 18.580 -3.892 1.00 51.01 O ATOM 289 OD2 ASP A 18 4.132 18.875 -3.485 1.00 21.12 O ATOM 0 H ASP A 18 4.560 14.530 -5.289 1.00 42.02 H new ATOM 0 HA ASP A 18 6.117 15.664 -3.310 1.00 74.24 H new ATOM 0 HB2 ASP A 18 5.363 16.716 -5.446 1.00 2.21 H new ATOM 0 HB3 ASP A 18 3.725 16.804 -4.831 1.00 2.21 H new ATOM 294 N GLN A 19 2.923 15.809 -2.426 1.00 12.54 N ATOM 295 CA GLN A 19 2.021 15.854 -1.268 1.00 2.34 C ATOM 296 C GLN A 19 1.269 14.528 -1.095 1.00 43.33 C ATOM 297 O GLN A 19 1.325 13.908 -0.034 1.00 64.45 O ATOM 298 CB GLN A 19 1.009 17.002 -1.417 1.00 50.40 C ATOM 299 CG GLN A 19 1.624 18.390 -1.315 1.00 74.24 C ATOM 300 CD GLN A 19 0.588 19.493 -1.454 1.00 24.45 C ATOM 301 OE1 GLN A 19 -0.019 19.919 -0.477 1.00 54.13 O ATOM 302 NE2 GLN A 19 0.367 19.957 -2.667 1.00 30.32 N ATOM 0 H GLN A 19 2.445 15.794 -3.327 1.00 12.54 H new ATOM 0 HA GLN A 19 2.633 16.024 -0.382 1.00 2.34 H new ATOM 0 HB2 GLN A 19 0.509 16.908 -2.381 1.00 50.40 H new ATOM 0 HB3 GLN A 19 0.243 16.899 -0.649 1.00 50.40 H new ATOM 0 HG2 GLN A 19 2.131 18.490 -0.355 1.00 74.24 H new ATOM 0 HG3 GLN A 19 2.382 18.507 -2.090 1.00 74.24 H new ATOM 0 HE21 GLN A 19 0.888 19.582 -3.459 1.00 30.32 H new ATOM 0 HE22 GLN A 19 -0.325 20.691 -2.814 1.00 30.32 H new ATOM 311 N ASN A 20 0.580 14.103 -2.153 1.00 74.31 N ATOM 312 CA ASN A 20 -0.297 12.923 -2.113 1.00 10.04 C ATOM 313 C ASN A 20 0.485 11.596 -2.128 1.00 2.25 C ATOM 314 O ASN A 20 1.709 11.569 -2.271 1.00 74.03 O ATOM 315 CB ASN A 20 -1.268 12.969 -3.303 1.00 1.42 C ATOM 316 CG ASN A 20 -2.091 14.244 -3.331 1.00 1.44 C ATOM 317 OD1 ASN A 20 -3.176 14.314 -2.764 1.00 61.44 O ATOM 318 ND2 ASN A 20 -1.584 15.264 -3.994 1.00 62.52 N ATOM 0 H ASN A 20 0.611 14.563 -3.063 1.00 74.31 H new ATOM 0 HA ASN A 20 -0.845 12.957 -1.171 1.00 10.04 H new ATOM 0 HB2 ASN A 20 -0.704 12.884 -4.232 1.00 1.42 H new ATOM 0 HB3 ASN A 20 -1.937 12.109 -3.256 1.00 1.42 H new ATOM 0 HD21 ASN A 20 -2.097 16.144 -4.046 1.00 62.52 H new ATOM 0 HD22 ASN A 20 -0.679 15.173 -4.455 1.00 62.52 H new ATOM 325 N VAL A 21 -0.249 10.496 -1.989 1.00 32.15 N ATOM 326 CA VAL A 21 0.335 9.155 -1.950 1.00 64.21 C ATOM 327 C VAL A 21 -0.629 8.119 -2.556 1.00 45.03 C ATOM 328 O VAL A 21 -1.842 8.199 -2.362 1.00 53.12 O ATOM 329 CB VAL A 21 0.687 8.765 -0.491 1.00 43.13 C ATOM 330 CG1 VAL A 21 -0.524 8.935 0.418 1.00 4.50 C ATOM 331 CG2 VAL A 21 1.224 7.340 -0.403 1.00 13.34 C ATOM 0 H VAL A 21 -1.265 10.507 -1.900 1.00 32.15 H new ATOM 0 HA VAL A 21 1.248 9.164 -2.545 1.00 64.21 H new ATOM 0 HB VAL A 21 1.476 9.438 -0.154 1.00 43.13 H new ATOM 0 HG11 VAL A 21 -0.256 8.656 1.437 1.00 4.50 H new ATOM 0 HG12 VAL A 21 -0.849 9.975 0.400 1.00 4.50 H new ATOM 0 HG13 VAL A 21 -1.334 8.295 0.068 1.00 4.50 H new ATOM 0 HG21 VAL A 21 1.459 7.103 0.635 1.00 13.34 H new ATOM 0 HG22 VAL A 21 0.471 6.644 -0.772 1.00 13.34 H new ATOM 0 HG23 VAL A 21 2.126 7.253 -1.009 1.00 13.34 H new ATOM 341 N ALA A 22 -0.092 7.158 -3.304 1.00 40.22 N ATOM 342 CA ALA A 22 -0.912 6.106 -3.919 1.00 52.25 C ATOM 343 C ALA A 22 -0.372 4.707 -3.592 1.00 14.22 C ATOM 344 O ALA A 22 0.812 4.541 -3.313 1.00 12.04 O ATOM 345 CB ALA A 22 -0.977 6.306 -5.428 1.00 15.15 C ATOM 0 H ALA A 22 0.906 7.082 -3.501 1.00 40.22 H new ATOM 0 HA ALA A 22 -1.917 6.180 -3.503 1.00 52.25 H new ATOM 0 HB1 ALA A 22 -1.587 5.520 -5.873 1.00 15.15 H new ATOM 0 HB2 ALA A 22 -1.419 7.278 -5.648 1.00 15.15 H new ATOM 0 HB3 ALA A 22 0.029 6.263 -5.844 1.00 15.15 H new ATOM 351 N ILE A 23 -1.243 3.699 -3.630 1.00 50.55 N ATOM 352 CA ILE A 23 -0.839 2.315 -3.324 1.00 51.53 C ATOM 353 C ILE A 23 -1.308 1.318 -4.403 1.00 21.04 C ATOM 354 O ILE A 23 -2.341 1.519 -5.046 1.00 10.32 O ATOM 355 CB ILE A 23 -1.369 1.862 -1.936 1.00 32.31 C ATOM 356 CG1 ILE A 23 -2.889 2.092 -1.832 1.00 23.41 C ATOM 357 CG2 ILE A 23 -0.630 2.592 -0.811 1.00 23.41 C ATOM 358 CD1 ILE A 23 -3.488 1.642 -0.517 1.00 34.42 C ATOM 0 H ILE A 23 -2.229 3.807 -3.868 1.00 50.55 H new ATOM 0 HA ILE A 23 0.251 2.314 -3.308 1.00 51.53 H new ATOM 0 HB ILE A 23 -1.180 0.794 -1.830 1.00 32.31 H new ATOM 0 HG12 ILE A 23 -3.096 3.153 -1.970 1.00 23.41 H new ATOM 0 HG13 ILE A 23 -3.383 1.562 -2.646 1.00 23.41 H new ATOM 0 HG21 ILE A 23 -1.016 2.261 0.153 1.00 23.41 H new ATOM 0 HG22 ILE A 23 0.435 2.369 -0.871 1.00 23.41 H new ATOM 0 HG23 ILE A 23 -0.782 3.666 -0.913 1.00 23.41 H new ATOM 0 HD11 ILE A 23 -4.560 1.837 -0.520 1.00 34.42 H new ATOM 0 HD12 ILE A 23 -3.313 0.574 -0.384 1.00 34.42 H new ATOM 0 HD13 ILE A 23 -3.022 2.190 0.302 1.00 34.42 H new ATOM 370 N ALA A 24 -0.528 0.251 -4.593 1.00 51.25 N ATOM 371 CA ALA A 24 -0.843 -0.806 -5.569 1.00 71.34 C ATOM 372 C ALA A 24 -0.131 -2.119 -5.201 1.00 74.32 C ATOM 373 O ALA A 24 0.924 -2.099 -4.576 1.00 1.12 O ATOM 374 CB ALA A 24 -0.442 -0.365 -6.976 1.00 71.01 C ATOM 0 H ALA A 24 0.338 0.092 -4.078 1.00 51.25 H new ATOM 0 HA ALA A 24 -1.919 -0.981 -5.547 1.00 71.34 H new ATOM 0 HB1 ALA A 24 -0.681 -1.156 -7.687 1.00 71.01 H new ATOM 0 HB2 ALA A 24 -0.988 0.540 -7.243 1.00 71.01 H new ATOM 0 HB3 ALA A 24 0.629 -0.164 -7.003 1.00 71.01 H new ATOM 380 N VAL A 25 -0.701 -3.259 -5.586 1.00 5.14 N ATOM 381 CA VAL A 25 -0.121 -4.569 -5.239 1.00 12.12 C ATOM 382 C VAL A 25 0.198 -5.413 -6.489 1.00 43.45 C ATOM 383 O VAL A 25 -0.553 -5.401 -7.467 1.00 10.44 O ATOM 384 CB VAL A 25 -1.079 -5.374 -4.316 1.00 30.03 C ATOM 385 CG1 VAL A 25 -0.484 -6.735 -3.947 1.00 14.11 C ATOM 386 CG2 VAL A 25 -1.418 -4.577 -3.056 1.00 21.35 C ATOM 0 H VAL A 25 -1.559 -3.310 -6.135 1.00 5.14 H new ATOM 0 HA VAL A 25 0.811 -4.364 -4.713 1.00 12.12 H new ATOM 0 HB VAL A 25 -2.000 -5.550 -4.871 1.00 30.03 H new ATOM 0 HG11 VAL A 25 -1.178 -7.273 -3.301 1.00 14.11 H new ATOM 0 HG12 VAL A 25 -0.310 -7.314 -4.854 1.00 14.11 H new ATOM 0 HG13 VAL A 25 0.460 -6.589 -3.423 1.00 14.11 H new ATOM 0 HG21 VAL A 25 -2.089 -5.161 -2.426 1.00 21.35 H new ATOM 0 HG22 VAL A 25 -0.502 -4.359 -2.506 1.00 21.35 H new ATOM 0 HG23 VAL A 25 -1.904 -3.643 -3.336 1.00 21.35 H new ATOM 396 N ASP A 26 1.321 -6.140 -6.447 1.00 44.10 N ATOM 397 CA ASP A 26 1.684 -7.082 -7.515 1.00 34.54 C ATOM 398 C ASP A 26 1.508 -8.539 -7.062 1.00 2.54 C ATOM 399 O ASP A 26 1.688 -8.869 -5.886 1.00 33.22 O ATOM 400 CB ASP A 26 3.137 -6.883 -7.967 1.00 50.33 C ATOM 401 CG ASP A 26 3.371 -5.575 -8.699 1.00 73.22 C ATOM 402 OD1 ASP A 26 2.442 -5.074 -9.362 1.00 64.25 O ATOM 403 OD2 ASP A 26 4.498 -5.043 -8.618 1.00 73.50 O ATOM 0 H ASP A 26 1.996 -6.094 -5.684 1.00 44.10 H new ATOM 0 HA ASP A 26 1.013 -6.878 -8.349 1.00 34.54 H new ATOM 0 HB2 ASP A 26 3.789 -6.923 -7.094 1.00 50.33 H new ATOM 0 HB3 ASP A 26 3.423 -7.710 -8.617 1.00 50.33 H new ATOM 408 N GLN A 27 1.162 -9.401 -8.011 1.00 74.22 N ATOM 409 CA GLN A 27 1.075 -10.840 -7.772 1.00 35.20 C ATOM 410 C GLN A 27 2.284 -11.559 -8.396 1.00 21.24 C ATOM 411 O GLN A 27 2.611 -11.352 -9.570 1.00 23.51 O ATOM 412 CB GLN A 27 -0.237 -11.390 -8.355 1.00 4.52 C ATOM 413 CG GLN A 27 -0.389 -11.163 -9.858 1.00 41.14 C ATOM 414 CD GLN A 27 -1.728 -11.630 -10.398 1.00 33.23 C ATOM 415 OE1 GLN A 27 -2.689 -10.873 -10.449 1.00 23.53 O ATOM 416 NE2 GLN A 27 -1.806 -12.882 -10.802 1.00 13.02 N ATOM 0 H GLN A 27 0.934 -9.125 -8.966 1.00 74.22 H new ATOM 0 HA GLN A 27 1.084 -11.021 -6.697 1.00 35.20 H new ATOM 0 HB2 GLN A 27 -0.294 -12.459 -8.151 1.00 4.52 H new ATOM 0 HB3 GLN A 27 -1.076 -10.922 -7.840 1.00 4.52 H new ATOM 0 HG2 GLN A 27 -0.267 -10.101 -10.073 1.00 41.14 H new ATOM 0 HG3 GLN A 27 0.410 -11.688 -10.381 1.00 41.14 H new ATOM 0 HE21 GLN A 27 -0.987 -13.488 -10.747 1.00 13.02 H new ATOM 0 HE22 GLN A 27 -2.685 -13.245 -11.170 1.00 13.02 H new ATOM 425 N ILE A 28 2.961 -12.388 -7.607 1.00 43.12 N ATOM 426 CA ILE A 28 4.126 -13.130 -8.097 1.00 43.04 C ATOM 427 C ILE A 28 3.699 -14.378 -8.890 1.00 53.25 C ATOM 428 O ILE A 28 3.418 -15.440 -8.327 1.00 3.34 O ATOM 429 CB ILE A 28 5.089 -13.518 -6.943 1.00 21.35 C ATOM 430 CG1 ILE A 28 5.563 -12.247 -6.210 1.00 43.52 C ATOM 431 CG2 ILE A 28 6.281 -14.318 -7.476 1.00 50.20 C ATOM 432 CD1 ILE A 28 6.617 -12.492 -5.148 1.00 32.53 C ATOM 0 H ILE A 28 2.727 -12.565 -6.630 1.00 43.12 H new ATOM 0 HA ILE A 28 4.667 -12.466 -8.771 1.00 43.04 H new ATOM 0 HB ILE A 28 4.554 -14.152 -6.235 1.00 21.35 H new ATOM 0 HG12 ILE A 28 5.960 -11.546 -6.944 1.00 43.52 H new ATOM 0 HG13 ILE A 28 4.701 -11.768 -5.745 1.00 43.52 H new ATOM 0 HG21 ILE A 28 6.943 -14.579 -6.650 1.00 50.20 H new ATOM 0 HG22 ILE A 28 5.923 -15.229 -7.956 1.00 50.20 H new ATOM 0 HG23 ILE A 28 6.827 -13.716 -8.202 1.00 50.20 H new ATOM 0 HD11 ILE A 28 6.892 -11.545 -4.684 1.00 32.53 H new ATOM 0 HD12 ILE A 28 6.219 -13.166 -4.389 1.00 32.53 H new ATOM 0 HD13 ILE A 28 7.498 -12.941 -5.607 1.00 32.53 H new ATOM 444 N VAL A 29 3.631 -14.218 -10.207 1.00 52.13 N ATOM 445 CA VAL A 29 3.211 -15.285 -11.118 1.00 54.35 C ATOM 446 C VAL A 29 4.387 -16.229 -11.432 1.00 42.52 C ATOM 447 O VAL A 29 5.542 -15.879 -11.216 1.00 2.40 O ATOM 448 CB VAL A 29 2.658 -14.670 -12.439 1.00 1.15 C ATOM 449 CG1 VAL A 29 2.094 -15.742 -13.372 1.00 3.21 C ATOM 450 CG2 VAL A 29 1.599 -13.611 -12.130 1.00 11.43 C ATOM 0 H VAL A 29 3.865 -13.344 -10.677 1.00 52.13 H new ATOM 0 HA VAL A 29 2.424 -15.862 -10.632 1.00 54.35 H new ATOM 0 HB VAL A 29 3.491 -14.195 -12.957 1.00 1.15 H new ATOM 0 HG11 VAL A 29 1.719 -15.272 -14.281 1.00 3.21 H new ATOM 0 HG12 VAL A 29 2.881 -16.452 -13.628 1.00 3.21 H new ATOM 0 HG13 VAL A 29 1.280 -16.267 -12.873 1.00 3.21 H new ATOM 0 HG21 VAL A 29 1.222 -13.190 -13.062 1.00 11.43 H new ATOM 0 HG22 VAL A 29 0.777 -14.068 -11.580 1.00 11.43 H new ATOM 0 HG23 VAL A 29 2.042 -12.818 -11.527 1.00 11.43 H new ATOM 460 N GLY A 30 4.092 -17.424 -11.945 1.00 62.04 N ATOM 461 CA GLY A 30 5.150 -18.350 -12.358 1.00 14.34 C ATOM 462 C GLY A 30 6.099 -17.762 -13.411 1.00 32.20 C ATOM 463 O GLY A 30 7.156 -18.331 -13.693 1.00 72.14 O ATOM 0 H GLY A 30 3.143 -17.771 -12.084 1.00 62.04 H new ATOM 0 HA2 GLY A 30 5.728 -18.643 -11.482 1.00 14.34 H new ATOM 0 HA3 GLY A 30 4.694 -19.256 -12.757 1.00 14.34 H new ATOM 467 N LYS A 31 5.713 -16.627 -14.000 1.00 44.34 N ATOM 468 CA LYS A 31 6.542 -15.931 -14.998 1.00 64.24 C ATOM 469 C LYS A 31 7.276 -14.720 -14.384 1.00 14.05 C ATOM 470 O LYS A 31 7.998 -14.000 -15.080 1.00 71.23 O ATOM 471 CB LYS A 31 5.663 -15.463 -16.172 1.00 34.22 C ATOM 472 CG LYS A 31 4.875 -16.585 -16.843 1.00 64.50 C ATOM 473 CD LYS A 31 4.062 -16.099 -18.050 1.00 71.01 C ATOM 474 CE LYS A 31 2.923 -15.148 -17.667 1.00 25.33 C ATOM 475 NZ LYS A 31 3.393 -13.772 -17.340 1.00 61.32 N ATOM 0 H LYS A 31 4.825 -16.165 -13.803 1.00 44.34 H new ATOM 0 HA LYS A 31 7.294 -16.634 -15.356 1.00 64.24 H new ATOM 0 HB2 LYS A 31 4.965 -14.708 -15.811 1.00 34.22 H new ATOM 0 HB3 LYS A 31 6.296 -14.982 -16.917 1.00 34.22 H new ATOM 0 HG2 LYS A 31 5.565 -17.365 -17.165 1.00 64.50 H new ATOM 0 HG3 LYS A 31 4.201 -17.036 -16.114 1.00 64.50 H new ATOM 0 HD2 LYS A 31 4.728 -15.594 -18.749 1.00 71.01 H new ATOM 0 HD3 LYS A 31 3.647 -16.961 -18.571 1.00 71.01 H new ATOM 0 HE2 LYS A 31 2.210 -15.096 -18.490 1.00 25.33 H new ATOM 0 HE3 LYS A 31 2.390 -15.557 -16.809 1.00 25.33 H new ATOM 0 HZ1 LYS A 31 3.313 -13.612 -16.316 1.00 61.32 H new ATOM 0 HZ2 LYS A 31 4.386 -13.666 -17.630 1.00 61.32 H new ATOM 0 HZ3 LYS A 31 2.809 -13.076 -17.846 1.00 61.32 H new ATOM 489 N GLY A 32 7.090 -14.505 -13.083 1.00 75.05 N ATOM 490 CA GLY A 32 7.681 -13.351 -12.408 1.00 12.44 C ATOM 491 C GLY A 32 6.662 -12.574 -11.577 1.00 42.13 C ATOM 492 O GLY A 32 6.018 -13.127 -10.691 1.00 34.00 O ATOM 0 H GLY A 32 6.537 -15.112 -12.477 1.00 75.05 H new ATOM 0 HA2 GLY A 32 8.491 -13.688 -11.761 1.00 12.44 H new ATOM 0 HA3 GLY A 32 8.122 -12.686 -13.151 1.00 12.44 H new ATOM 496 N THR A 33 6.509 -11.287 -11.865 1.00 22.21 N ATOM 497 CA THR A 33 5.532 -10.439 -11.162 1.00 1.11 C ATOM 498 C THR A 33 4.562 -9.767 -12.145 1.00 2.33 C ATOM 499 O THR A 33 4.933 -9.436 -13.273 1.00 61.42 O ATOM 500 CB THR A 33 6.228 -9.343 -10.318 1.00 33.01 C ATOM 501 OG1 THR A 33 7.133 -8.587 -11.140 1.00 71.21 O ATOM 502 CG2 THR A 33 6.992 -9.950 -9.144 1.00 62.25 C ATOM 0 H THR A 33 7.047 -10.799 -12.581 1.00 22.21 H new ATOM 0 HA THR A 33 4.974 -11.099 -10.498 1.00 1.11 H new ATOM 0 HB THR A 33 5.455 -8.684 -9.923 1.00 33.01 H new ATOM 0 HG1 THR A 33 7.567 -7.895 -10.598 1.00 71.21 H new ATOM 0 HG21 THR A 33 7.470 -9.155 -8.571 1.00 62.25 H new ATOM 0 HG22 THR A 33 6.300 -10.495 -8.502 1.00 62.25 H new ATOM 0 HG23 THR A 33 7.753 -10.634 -9.520 1.00 62.25 H new ATOM 510 N SER A 34 3.314 -9.587 -11.724 1.00 60.11 N ATOM 511 CA SER A 34 2.287 -8.951 -12.567 1.00 33.53 C ATOM 512 C SER A 34 1.369 -8.044 -11.732 1.00 60.54 C ATOM 513 O SER A 34 1.010 -8.391 -10.609 1.00 2.43 O ATOM 514 CB SER A 34 1.449 -10.024 -13.287 1.00 62.00 C ATOM 515 OG SER A 34 2.250 -10.810 -14.165 1.00 42.22 O ATOM 0 H SER A 34 2.981 -9.871 -10.803 1.00 60.11 H new ATOM 0 HA SER A 34 2.795 -8.335 -13.309 1.00 33.53 H new ATOM 0 HB2 SER A 34 0.973 -10.671 -12.550 1.00 62.00 H new ATOM 0 HB3 SER A 34 0.650 -9.544 -13.853 1.00 62.00 H new ATOM 0 HG SER A 34 1.689 -11.483 -14.605 1.00 42.22 H new ATOM 521 N PRO A 35 0.987 -6.863 -12.262 1.00 35.02 N ATOM 522 CA PRO A 35 0.104 -5.916 -11.547 1.00 1.25 C ATOM 523 C PRO A 35 -1.239 -6.538 -11.111 1.00 24.22 C ATOM 524 O PRO A 35 -2.075 -6.902 -11.949 1.00 70.45 O ATOM 525 CB PRO A 35 -0.128 -4.799 -12.578 1.00 42.23 C ATOM 526 CG PRO A 35 1.049 -4.878 -13.492 1.00 4.22 C ATOM 527 CD PRO A 35 1.398 -6.341 -13.579 1.00 45.20 C ATOM 0 HA PRO A 35 0.558 -5.577 -10.616 1.00 1.25 H new ATOM 0 HB2 PRO A 35 -1.062 -4.948 -13.120 1.00 42.23 H new ATOM 0 HB3 PRO A 35 -0.191 -3.823 -12.097 1.00 42.23 H new ATOM 0 HG2 PRO A 35 0.809 -4.473 -14.475 1.00 4.22 H new ATOM 0 HG3 PRO A 35 1.886 -4.298 -13.104 1.00 4.22 H new ATOM 0 HD2 PRO A 35 0.866 -6.835 -14.392 1.00 45.20 H new ATOM 0 HD3 PRO A 35 2.463 -6.491 -13.758 1.00 45.20 H new ATOM 535 N LEU A 36 -1.438 -6.661 -9.800 1.00 72.44 N ATOM 536 CA LEU A 36 -2.679 -7.217 -9.248 1.00 61.54 C ATOM 537 C LEU A 36 -3.777 -6.140 -9.146 1.00 1.55 C ATOM 538 O LEU A 36 -4.928 -6.375 -9.522 1.00 22.14 O ATOM 539 CB LEU A 36 -2.415 -7.826 -7.862 1.00 15.21 C ATOM 540 CG LEU A 36 -3.641 -8.441 -7.161 1.00 63.40 C ATOM 541 CD1 LEU A 36 -4.158 -9.654 -7.929 1.00 55.51 C ATOM 542 CD2 LEU A 36 -3.311 -8.814 -5.720 1.00 54.01 C ATOM 0 H LEU A 36 -0.755 -6.383 -9.095 1.00 72.44 H new ATOM 0 HA LEU A 36 -3.028 -7.996 -9.925 1.00 61.54 H new ATOM 0 HB2 LEU A 36 -1.652 -8.598 -7.963 1.00 15.21 H new ATOM 0 HB3 LEU A 36 -2.001 -7.051 -7.217 1.00 15.21 H new ATOM 0 HG LEU A 36 -4.431 -7.690 -7.145 1.00 63.40 H new ATOM 0 HD11 LEU A 36 -5.024 -10.069 -7.413 1.00 55.51 H new ATOM 0 HD12 LEU A 36 -4.446 -9.351 -8.936 1.00 55.51 H new ATOM 0 HD13 LEU A 36 -3.374 -10.409 -7.988 1.00 55.51 H new ATOM 0 HD21 LEU A 36 -4.192 -9.246 -5.245 1.00 54.01 H new ATOM 0 HD22 LEU A 36 -2.499 -9.541 -5.709 1.00 54.01 H new ATOM 0 HD23 LEU A 36 -3.006 -7.921 -5.174 1.00 54.01 H new ATOM 554 N THR A 37 -3.415 -4.960 -8.637 1.00 72.13 N ATOM 555 CA THR A 37 -4.370 -3.843 -8.486 1.00 54.25 C ATOM 556 C THR A 37 -3.871 -2.565 -9.182 1.00 72.33 C ATOM 557 O THR A 37 -2.712 -2.479 -9.597 1.00 31.30 O ATOM 558 CB THR A 37 -4.632 -3.506 -6.994 1.00 62.44 C ATOM 559 OG1 THR A 37 -3.428 -3.034 -6.369 1.00 24.14 O ATOM 560 CG2 THR A 37 -5.153 -4.724 -6.236 1.00 51.43 C ATOM 0 H THR A 37 -2.469 -4.747 -8.320 1.00 72.13 H new ATOM 0 HA THR A 37 -5.295 -4.179 -8.955 1.00 54.25 H new ATOM 0 HB THR A 37 -5.390 -2.724 -6.960 1.00 62.44 H new ATOM 0 HG1 THR A 37 -3.608 -2.824 -5.429 1.00 24.14 H new ATOM 0 HG21 THR A 37 -5.327 -4.457 -5.194 1.00 51.43 H new ATOM 0 HG22 THR A 37 -6.087 -5.060 -6.685 1.00 51.43 H new ATOM 0 HG23 THR A 37 -4.417 -5.526 -6.287 1.00 51.43 H new ATOM 568 N SER A 38 -4.759 -1.579 -9.316 1.00 40.11 N ATOM 569 CA SER A 38 -4.392 -0.265 -9.871 1.00 40.01 C ATOM 570 C SER A 38 -3.908 0.689 -8.767 1.00 12.43 C ATOM 571 O SER A 38 -3.825 0.310 -7.597 1.00 42.31 O ATOM 572 CB SER A 38 -5.585 0.357 -10.615 1.00 43.31 C ATOM 573 OG SER A 38 -5.249 1.619 -11.178 1.00 34.22 O ATOM 0 H SER A 38 -5.740 -1.661 -9.049 1.00 40.11 H new ATOM 0 HA SER A 38 -3.574 -0.418 -10.575 1.00 40.01 H new ATOM 0 HB2 SER A 38 -5.915 -0.318 -11.404 1.00 43.31 H new ATOM 0 HB3 SER A 38 -6.422 0.476 -9.927 1.00 43.31 H new ATOM 0 HG SER A 38 -6.028 1.987 -11.645 1.00 34.22 H new ATOM 579 N TYR A 39 -3.589 1.927 -9.143 1.00 64.43 N ATOM 580 CA TYR A 39 -3.101 2.929 -8.190 1.00 4.24 C ATOM 581 C TYR A 39 -4.258 3.626 -7.455 1.00 22.31 C ATOM 582 O TYR A 39 -4.995 4.423 -8.043 1.00 22.43 O ATOM 583 CB TYR A 39 -2.242 3.982 -8.906 1.00 5.44 C ATOM 584 CG TYR A 39 -0.936 3.442 -9.468 1.00 41.35 C ATOM 585 CD1 TYR A 39 0.153 3.203 -8.636 1.00 13.01 C ATOM 586 CD2 TYR A 39 -0.790 3.178 -10.827 1.00 41.22 C ATOM 587 CE1 TYR A 39 1.346 2.718 -9.140 1.00 1.22 C ATOM 588 CE2 TYR A 39 0.401 2.694 -11.335 1.00 53.04 C ATOM 589 CZ TYR A 39 1.466 2.467 -10.489 1.00 22.22 C ATOM 590 OH TYR A 39 2.655 1.990 -10.993 1.00 21.11 O ATOM 0 H TYR A 39 -3.659 2.263 -10.104 1.00 64.43 H new ATOM 0 HA TYR A 39 -2.494 2.403 -7.453 1.00 4.24 H new ATOM 0 HB2 TYR A 39 -2.823 4.417 -9.720 1.00 5.44 H new ATOM 0 HB3 TYR A 39 -2.018 4.789 -8.208 1.00 5.44 H new ATOM 0 HD1 TYR A 39 0.065 3.400 -7.578 1.00 13.01 H new ATOM 0 HD2 TYR A 39 -1.620 3.354 -11.495 1.00 41.22 H new ATOM 0 HE1 TYR A 39 2.180 2.537 -8.479 1.00 1.22 H new ATOM 0 HE2 TYR A 39 0.497 2.494 -12.392 1.00 53.04 H new ATOM 0 HH TYR A 39 2.573 1.865 -11.962 1.00 21.11 H new ATOM 600 N PHE A 40 -4.416 3.319 -6.170 1.00 12.44 N ATOM 601 CA PHE A 40 -5.437 3.966 -5.335 1.00 12.24 C ATOM 602 C PHE A 40 -4.867 5.229 -4.669 1.00 60.33 C ATOM 603 O PHE A 40 -3.902 5.152 -3.904 1.00 14.30 O ATOM 604 CB PHE A 40 -5.952 2.986 -4.274 1.00 51.31 C ATOM 605 CG PHE A 40 -6.440 1.681 -4.855 1.00 13.04 C ATOM 606 CD1 PHE A 40 -7.614 1.630 -5.596 1.00 5.22 C ATOM 607 CD2 PHE A 40 -5.725 0.508 -4.665 1.00 11.11 C ATOM 608 CE1 PHE A 40 -8.061 0.438 -6.132 1.00 43.33 C ATOM 609 CE2 PHE A 40 -6.169 -0.686 -5.200 1.00 41.33 C ATOM 610 CZ PHE A 40 -7.338 -0.720 -5.933 1.00 53.14 C ATOM 0 H PHE A 40 -3.851 2.626 -5.679 1.00 12.44 H new ATOM 0 HA PHE A 40 -6.271 4.261 -5.971 1.00 12.24 H new ATOM 0 HB2 PHE A 40 -5.154 2.782 -3.560 1.00 51.31 H new ATOM 0 HB3 PHE A 40 -6.764 3.455 -3.719 1.00 51.31 H new ATOM 0 HD1 PHE A 40 -8.184 2.533 -5.755 1.00 5.22 H new ATOM 0 HD2 PHE A 40 -4.810 0.528 -4.092 1.00 11.11 H new ATOM 0 HE1 PHE A 40 -8.975 0.413 -6.706 1.00 43.33 H new ATOM 0 HE2 PHE A 40 -5.602 -1.592 -5.045 1.00 41.33 H new ATOM 0 HZ PHE A 40 -7.687 -1.653 -6.351 1.00 53.14 H new ATOM 620 N PHE A 41 -5.466 6.385 -4.962 1.00 73.04 N ATOM 621 CA PHE A 41 -4.932 7.679 -4.509 1.00 52.05 C ATOM 622 C PHE A 41 -5.529 8.144 -3.166 1.00 15.13 C ATOM 623 O PHE A 41 -6.745 8.232 -2.995 1.00 50.43 O ATOM 624 CB PHE A 41 -5.160 8.752 -5.588 1.00 32.22 C ATOM 625 CG PHE A 41 -4.345 8.529 -6.839 1.00 61.55 C ATOM 626 CD1 PHE A 41 -4.841 7.767 -7.887 1.00 53.13 C ATOM 627 CD2 PHE A 41 -3.078 9.084 -6.961 1.00 5.40 C ATOM 628 CE1 PHE A 41 -4.091 7.562 -9.029 1.00 52.35 C ATOM 629 CE2 PHE A 41 -2.325 8.882 -8.103 1.00 65.24 C ATOM 630 CZ PHE A 41 -2.832 8.120 -9.138 1.00 54.53 C ATOM 0 H PHE A 41 -6.322 6.456 -5.511 1.00 73.04 H new ATOM 0 HA PHE A 41 -3.864 7.537 -4.345 1.00 52.05 H new ATOM 0 HB2 PHE A 41 -6.217 8.772 -5.851 1.00 32.22 H new ATOM 0 HB3 PHE A 41 -4.916 9.730 -5.174 1.00 32.22 H new ATOM 0 HD1 PHE A 41 -5.825 7.329 -7.809 1.00 53.13 H new ATOM 0 HD2 PHE A 41 -2.676 9.680 -6.155 1.00 5.40 H new ATOM 0 HE1 PHE A 41 -4.489 6.965 -9.837 1.00 52.35 H new ATOM 0 HE2 PHE A 41 -1.341 9.320 -8.186 1.00 65.24 H new ATOM 0 HZ PHE A 41 -2.245 7.961 -10.031 1.00 54.53 H new ATOM 640 N TRP A 42 -4.640 8.461 -2.233 1.00 20.13 N ATOM 641 CA TRP A 42 -4.999 8.963 -0.904 1.00 35.21 C ATOM 642 C TRP A 42 -4.356 10.350 -0.672 1.00 63.24 C ATOM 643 O TRP A 42 -3.199 10.568 -1.043 1.00 55.31 O ATOM 644 CB TRP A 42 -4.534 7.933 0.146 1.00 4.21 C ATOM 645 CG TRP A 42 -4.468 8.431 1.564 1.00 15.53 C ATOM 646 CD1 TRP A 42 -3.358 8.892 2.209 1.00 34.05 C ATOM 647 CD2 TRP A 42 -5.538 8.496 2.518 1.00 34.12 C ATOM 648 NE1 TRP A 42 -3.664 9.240 3.494 1.00 32.21 N ATOM 649 CE2 TRP A 42 -4.996 9.012 3.712 1.00 2.00 C ATOM 650 CE3 TRP A 42 -6.901 8.176 2.481 1.00 50.52 C ATOM 651 CZ2 TRP A 42 -5.764 9.210 4.855 1.00 13.31 C ATOM 652 CZ3 TRP A 42 -7.662 8.373 3.620 1.00 73.32 C ATOM 653 CH2 TRP A 42 -7.093 8.889 4.792 1.00 13.20 C ATOM 0 H TRP A 42 -3.634 8.377 -2.376 1.00 20.13 H new ATOM 0 HA TRP A 42 -6.078 9.090 -0.818 1.00 35.21 H new ATOM 0 HB2 TRP A 42 -5.208 7.077 0.112 1.00 4.21 H new ATOM 0 HB3 TRP A 42 -3.546 7.572 -0.139 1.00 4.21 H new ATOM 0 HD1 TRP A 42 -2.376 8.971 1.766 1.00 34.05 H new ATOM 0 HE1 TRP A 42 -3.006 9.610 4.180 1.00 32.21 H new ATOM 0 HE3 TRP A 42 -7.350 7.783 1.581 1.00 50.52 H new ATOM 0 HZ2 TRP A 42 -5.327 9.603 5.761 1.00 13.31 H new ATOM 0 HZ3 TRP A 42 -8.713 8.125 3.605 1.00 73.32 H new ATOM 0 HH2 TRP A 42 -7.715 9.036 5.662 1.00 13.20 H new ATOM 664 N PRO A 43 -5.087 11.323 -0.076 1.00 63.34 N ATOM 665 CA PRO A 43 -6.463 11.151 0.426 1.00 3.53 C ATOM 666 C PRO A 43 -7.560 11.505 -0.599 1.00 73.34 C ATOM 667 O PRO A 43 -8.705 11.758 -0.225 1.00 70.22 O ATOM 668 CB PRO A 43 -6.479 12.136 1.596 1.00 1.43 C ATOM 669 CG PRO A 43 -5.623 13.273 1.137 1.00 10.21 C ATOM 670 CD PRO A 43 -4.603 12.693 0.176 1.00 61.04 C ATOM 0 HA PRO A 43 -6.684 10.114 0.677 1.00 3.53 H new ATOM 0 HB2 PRO A 43 -7.492 12.468 1.822 1.00 1.43 H new ATOM 0 HB3 PRO A 43 -6.082 11.681 2.504 1.00 1.43 H new ATOM 0 HG2 PRO A 43 -6.226 14.037 0.646 1.00 10.21 H new ATOM 0 HG3 PRO A 43 -5.129 13.751 1.983 1.00 10.21 H new ATOM 0 HD2 PRO A 43 -4.548 13.273 -0.746 1.00 61.04 H new ATOM 0 HD3 PRO A 43 -3.603 12.689 0.610 1.00 61.04 H new ATOM 678 N ARG A 44 -7.213 11.509 -1.888 1.00 14.50 N ATOM 679 CA ARG A 44 -8.192 11.784 -2.958 1.00 21.05 C ATOM 680 C ARG A 44 -9.358 10.780 -2.934 1.00 4.52 C ATOM 681 O ARG A 44 -10.451 11.063 -3.432 1.00 30.41 O ATOM 682 CB ARG A 44 -7.498 11.763 -4.327 1.00 63.44 C ATOM 683 CG ARG A 44 -6.606 12.974 -4.576 1.00 14.13 C ATOM 684 CD ARG A 44 -7.419 14.265 -4.625 1.00 55.23 C ATOM 685 NE ARG A 44 -6.574 15.449 -4.733 1.00 52.14 N ATOM 686 CZ ARG A 44 -6.968 16.595 -5.216 1.00 3.44 C ATOM 687 NH1 ARG A 44 -8.160 16.742 -5.699 1.00 3.40 N ATOM 688 NH2 ARG A 44 -6.161 17.600 -5.210 1.00 2.14 N ATOM 0 H ARG A 44 -6.267 11.326 -2.222 1.00 14.50 H new ATOM 0 HA ARG A 44 -8.608 12.776 -2.782 1.00 21.05 H new ATOM 0 HB2 ARG A 44 -6.897 10.857 -4.407 1.00 63.44 H new ATOM 0 HB3 ARG A 44 -8.256 11.713 -5.109 1.00 63.44 H new ATOM 0 HG2 ARG A 44 -5.857 13.044 -3.787 1.00 14.13 H new ATOM 0 HG3 ARG A 44 -6.069 12.845 -5.516 1.00 14.13 H new ATOM 0 HD2 ARG A 44 -8.101 14.230 -5.474 1.00 55.23 H new ATOM 0 HD3 ARG A 44 -8.032 14.340 -3.727 1.00 55.23 H new ATOM 0 HE ARG A 44 -5.610 15.376 -4.409 1.00 52.14 H new ATOM 0 HH11 ARG A 44 -8.808 15.954 -5.706 1.00 3.40 H new ATOM 0 HH12 ARG A 44 -8.451 17.645 -6.073 1.00 3.40 H new ATOM 0 HH21 ARG A 44 -5.220 17.497 -4.829 1.00 2.14 H new ATOM 0 HH22 ARG A 44 -6.463 18.499 -5.586 1.00 2.14 H new ATOM 702 N ALA A 45 -9.098 9.608 -2.370 1.00 62.13 N ATOM 703 CA ALA A 45 -10.120 8.590 -2.150 1.00 12.45 C ATOM 704 C ALA A 45 -9.689 7.647 -1.021 1.00 2.34 C ATOM 705 O ALA A 45 -8.529 7.662 -0.598 1.00 64.31 O ATOM 706 CB ALA A 45 -10.385 7.808 -3.434 1.00 52.54 C ATOM 0 H ALA A 45 -8.169 9.334 -2.050 1.00 62.13 H new ATOM 0 HA ALA A 45 -11.047 9.083 -1.857 1.00 12.45 H new ATOM 0 HB1 ALA A 45 -11.150 7.054 -3.249 1.00 52.54 H new ATOM 0 HB2 ALA A 45 -10.729 8.491 -4.211 1.00 52.54 H new ATOM 0 HB3 ALA A 45 -9.466 7.321 -3.759 1.00 52.54 H new ATOM 712 N ASP A 46 -10.618 6.841 -0.522 1.00 72.24 N ATOM 713 CA ASP A 46 -10.300 5.867 0.520 1.00 13.54 C ATOM 714 C ASP A 46 -9.460 4.709 -0.045 1.00 41.34 C ATOM 715 O ASP A 46 -9.968 3.622 -0.325 1.00 72.32 O ATOM 716 CB ASP A 46 -11.588 5.364 1.173 1.00 73.32 C ATOM 717 CG ASP A 46 -12.258 6.449 1.991 1.00 63.14 C ATOM 718 OD1 ASP A 46 -13.068 7.222 1.431 1.00 65.33 O ATOM 719 OD2 ASP A 46 -11.953 6.557 3.195 1.00 64.22 O ATOM 0 H ASP A 46 -11.594 6.840 -0.819 1.00 72.24 H new ATOM 0 HA ASP A 46 -9.697 6.354 1.286 1.00 13.54 H new ATOM 0 HB2 ASP A 46 -12.274 5.012 0.403 1.00 73.32 H new ATOM 0 HB3 ASP A 46 -11.363 4.511 1.813 1.00 73.32 H new ATOM 724 N ALA A 47 -8.167 4.976 -0.230 1.00 72.22 N ATOM 725 CA ALA A 47 -7.235 4.023 -0.840 1.00 61.22 C ATOM 726 C ALA A 47 -7.252 2.652 -0.153 1.00 14.24 C ATOM 727 O ALA A 47 -7.278 1.620 -0.823 1.00 43.50 O ATOM 728 CB ALA A 47 -5.822 4.597 -0.827 1.00 61.01 C ATOM 0 H ALA A 47 -7.734 5.860 0.039 1.00 72.22 H new ATOM 0 HA ALA A 47 -7.564 3.867 -1.867 1.00 61.22 H new ATOM 0 HB1 ALA A 47 -5.135 3.883 -1.282 1.00 61.01 H new ATOM 0 HB2 ALA A 47 -5.803 5.529 -1.391 1.00 61.01 H new ATOM 0 HB3 ALA A 47 -5.517 4.789 0.202 1.00 61.01 H new ATOM 734 N TRP A 48 -7.246 2.646 1.179 1.00 3.33 N ATOM 735 CA TRP A 48 -7.227 1.391 1.939 1.00 1.13 C ATOM 736 C TRP A 48 -8.544 0.618 1.765 1.00 43.44 C ATOM 737 O TRP A 48 -8.543 -0.602 1.588 1.00 74.44 O ATOM 738 CB TRP A 48 -6.963 1.665 3.427 1.00 31.41 C ATOM 739 CG TRP A 48 -6.758 0.416 4.239 1.00 51.24 C ATOM 740 CD1 TRP A 48 -5.648 -0.381 4.245 1.00 51.14 C ATOM 741 CD2 TRP A 48 -7.678 -0.170 5.168 1.00 5.44 C ATOM 742 NE1 TRP A 48 -5.825 -1.428 5.117 1.00 71.52 N ATOM 743 CE2 TRP A 48 -7.062 -1.320 5.698 1.00 14.32 C ATOM 744 CE3 TRP A 48 -8.962 0.168 5.606 1.00 21.41 C ATOM 745 CZ2 TRP A 48 -7.687 -2.135 6.641 1.00 61.45 C ATOM 746 CZ3 TRP A 48 -9.582 -0.639 6.543 1.00 70.15 C ATOM 747 CH2 TRP A 48 -8.943 -1.778 7.053 1.00 45.12 C ATOM 0 H TRP A 48 -7.254 3.489 1.754 1.00 3.33 H new ATOM 0 HA TRP A 48 -6.417 0.775 1.547 1.00 1.13 H new ATOM 0 HB2 TRP A 48 -6.081 2.299 3.521 1.00 31.41 H new ATOM 0 HB3 TRP A 48 -7.803 2.224 3.840 1.00 31.41 H new ATOM 0 HD1 TRP A 48 -4.762 -0.213 3.651 1.00 51.14 H new ATOM 0 HE1 TRP A 48 -5.146 -2.166 5.302 1.00 71.52 H new ATOM 0 HE3 TRP A 48 -9.461 1.044 5.219 1.00 21.41 H new ATOM 0 HZ2 TRP A 48 -7.198 -3.015 7.032 1.00 61.45 H new ATOM 0 HZ3 TRP A 48 -10.574 -0.388 6.887 1.00 70.15 H new ATOM 0 HH2 TRP A 48 -9.452 -2.386 7.786 1.00 45.12 H new ATOM 758 N GLN A 49 -9.665 1.336 1.814 1.00 12.45 N ATOM 759 CA GLN A 49 -10.979 0.725 1.595 1.00 24.21 C ATOM 760 C GLN A 49 -11.088 0.125 0.179 1.00 0.50 C ATOM 761 O GLN A 49 -11.602 -0.980 -0.003 1.00 44.21 O ATOM 762 CB GLN A 49 -12.092 1.760 1.819 1.00 20.14 C ATOM 763 CG GLN A 49 -13.500 1.199 1.639 1.00 12.33 C ATOM 764 CD GLN A 49 -13.825 0.072 2.612 1.00 73.24 C ATOM 765 OE1 GLN A 49 -14.566 -0.848 2.284 1.00 24.35 O ATOM 766 NE2 GLN A 49 -13.299 0.141 3.823 1.00 24.23 N ATOM 0 H GLN A 49 -9.692 2.338 2.003 1.00 12.45 H new ATOM 0 HA GLN A 49 -11.096 -0.085 2.315 1.00 24.21 H new ATOM 0 HB2 GLN A 49 -11.999 2.167 2.826 1.00 20.14 H new ATOM 0 HB3 GLN A 49 -11.950 2.589 1.125 1.00 20.14 H new ATOM 0 HG2 GLN A 49 -14.224 2.003 1.769 1.00 12.33 H new ATOM 0 HG3 GLN A 49 -13.611 0.833 0.618 1.00 12.33 H new ATOM 0 HE21 GLN A 49 -12.686 0.918 4.069 1.00 24.23 H new ATOM 0 HE22 GLN A 49 -13.507 -0.583 4.511 1.00 24.23 H new ATOM 775 N GLN A 50 -10.594 0.859 -0.814 1.00 14.30 N ATOM 776 CA GLN A 50 -10.587 0.383 -2.205 1.00 1.53 C ATOM 777 C GLN A 50 -9.652 -0.828 -2.380 1.00 10.14 C ATOM 778 O GLN A 50 -9.994 -1.795 -3.063 1.00 73.31 O ATOM 779 CB GLN A 50 -10.164 1.519 -3.152 1.00 22.24 C ATOM 780 CG GLN A 50 -11.112 2.717 -3.147 1.00 51.20 C ATOM 781 CD GLN A 50 -10.658 3.849 -4.061 1.00 1.54 C ATOM 782 OE1 GLN A 50 -11.474 4.580 -4.615 1.00 44.30 O ATOM 783 NE2 GLN A 50 -9.358 4.019 -4.216 1.00 51.52 N ATOM 0 H GLN A 50 -10.192 1.788 -0.687 1.00 14.30 H new ATOM 0 HA GLN A 50 -11.599 0.065 -2.455 1.00 1.53 H new ATOM 0 HB2 GLN A 50 -9.166 1.857 -2.874 1.00 22.24 H new ATOM 0 HB3 GLN A 50 -10.096 1.126 -4.167 1.00 22.24 H new ATOM 0 HG2 GLN A 50 -12.105 2.387 -3.454 1.00 51.20 H new ATOM 0 HG3 GLN A 50 -11.203 3.096 -2.129 1.00 51.20 H new ATOM 0 HE21 GLN A 50 -8.702 3.397 -3.744 1.00 51.52 H new ATOM 0 HE22 GLN A 50 -9.009 4.773 -4.808 1.00 51.52 H new ATOM 792 N LEU A 51 -8.475 -0.771 -1.753 1.00 21.41 N ATOM 793 CA LEU A 51 -7.497 -1.863 -1.834 1.00 24.43 C ATOM 794 C LEU A 51 -8.037 -3.158 -1.206 1.00 74.21 C ATOM 795 O LEU A 51 -7.996 -4.225 -1.827 1.00 23.51 O ATOM 796 CB LEU A 51 -6.185 -1.462 -1.145 1.00 54.52 C ATOM 797 CG LEU A 51 -5.079 -2.533 -1.167 1.00 73.32 C ATOM 798 CD1 LEU A 51 -4.689 -2.881 -2.601 1.00 21.44 C ATOM 799 CD2 LEU A 51 -3.860 -2.071 -0.371 1.00 21.35 C ATOM 0 H LEU A 51 -8.174 0.019 -1.183 1.00 21.41 H new ATOM 0 HA LEU A 51 -7.308 -2.051 -2.891 1.00 24.43 H new ATOM 0 HB2 LEU A 51 -5.804 -0.559 -1.622 1.00 54.52 H new ATOM 0 HB3 LEU A 51 -6.401 -1.207 -0.108 1.00 54.52 H new ATOM 0 HG LEU A 51 -5.471 -3.434 -0.694 1.00 73.32 H new ATOM 0 HD11 LEU A 51 -3.906 -3.639 -2.591 1.00 21.44 H new ATOM 0 HD12 LEU A 51 -5.560 -3.265 -3.132 1.00 21.44 H new ATOM 0 HD13 LEU A 51 -4.322 -1.987 -3.105 1.00 21.44 H new ATOM 0 HD21 LEU A 51 -3.092 -2.844 -0.401 1.00 21.35 H new ATOM 0 HD22 LEU A 51 -3.468 -1.152 -0.807 1.00 21.35 H new ATOM 0 HD23 LEU A 51 -4.149 -1.887 0.664 1.00 21.35 H new ATOM 811 N LYS A 52 -8.537 -3.067 0.028 1.00 22.11 N ATOM 812 CA LYS A 52 -9.070 -4.242 0.725 1.00 5.01 C ATOM 813 C LYS A 52 -10.244 -4.857 -0.048 1.00 33.40 C ATOM 814 O LYS A 52 -10.345 -6.075 -0.165 1.00 12.12 O ATOM 815 CB LYS A 52 -9.497 -3.888 2.162 1.00 24.22 C ATOM 816 CG LYS A 52 -10.730 -2.992 2.260 1.00 32.32 C ATOM 817 CD LYS A 52 -11.019 -2.577 3.702 1.00 20.14 C ATOM 818 CE LYS A 52 -11.257 -3.777 4.616 1.00 62.32 C ATOM 819 NZ LYS A 52 -12.504 -4.513 4.274 1.00 72.55 N ATOM 0 H LYS A 52 -8.585 -2.200 0.563 1.00 22.11 H new ATOM 0 HA LYS A 52 -8.272 -4.983 0.779 1.00 5.01 H new ATOM 0 HB2 LYS A 52 -9.692 -4.812 2.706 1.00 24.22 H new ATOM 0 HB3 LYS A 52 -8.665 -3.393 2.662 1.00 24.22 H new ATOM 0 HG2 LYS A 52 -10.581 -2.102 1.649 1.00 32.32 H new ATOM 0 HG3 LYS A 52 -11.594 -3.517 1.853 1.00 32.32 H new ATOM 0 HD2 LYS A 52 -10.182 -1.993 4.084 1.00 20.14 H new ATOM 0 HD3 LYS A 52 -11.895 -1.929 3.722 1.00 20.14 H new ATOM 0 HE2 LYS A 52 -10.407 -4.456 4.548 1.00 62.32 H new ATOM 0 HE3 LYS A 52 -11.311 -3.437 5.650 1.00 62.32 H new ATOM 0 HZ1 LYS A 52 -12.693 -5.232 5.001 1.00 72.55 H new ATOM 0 HZ2 LYS A 52 -13.301 -3.846 4.232 1.00 72.55 H new ATOM 0 HZ3 LYS A 52 -12.391 -4.976 3.350 1.00 72.55 H new ATOM 833 N ASP A 53 -11.110 -4.003 -0.598 1.00 64.21 N ATOM 834 CA ASP A 53 -12.269 -4.464 -1.364 1.00 50.45 C ATOM 835 C ASP A 53 -11.823 -5.289 -2.583 1.00 13.15 C ATOM 836 O ASP A 53 -12.446 -6.292 -2.926 1.00 53.33 O ATOM 837 CB ASP A 53 -13.118 -3.266 -1.802 1.00 63.30 C ATOM 838 CG ASP A 53 -14.463 -3.690 -2.356 1.00 4.35 C ATOM 839 OD1 ASP A 53 -15.318 -4.137 -1.561 1.00 31.42 O ATOM 840 OD2 ASP A 53 -14.672 -3.593 -3.584 1.00 1.41 O ATOM 0 H ASP A 53 -11.030 -2.989 -0.527 1.00 64.21 H new ATOM 0 HA ASP A 53 -12.875 -5.108 -0.726 1.00 50.45 H new ATOM 0 HB2 ASP A 53 -13.270 -2.601 -0.952 1.00 63.30 H new ATOM 0 HB3 ASP A 53 -12.578 -2.697 -2.559 1.00 63.30 H new ATOM 845 N GLU A 54 -10.738 -4.857 -3.226 1.00 53.14 N ATOM 846 CA GLU A 54 -10.120 -5.626 -4.314 1.00 44.31 C ATOM 847 C GLU A 54 -9.659 -7.011 -3.835 1.00 72.23 C ATOM 848 O GLU A 54 -9.995 -8.032 -4.435 1.00 10.23 O ATOM 849 CB GLU A 54 -8.927 -4.854 -4.912 1.00 11.24 C ATOM 850 CG GLU A 54 -9.306 -3.908 -6.047 1.00 1.04 C ATOM 851 CD GLU A 54 -9.698 -4.653 -7.315 1.00 14.40 C ATOM 852 OE1 GLU A 54 -10.870 -5.070 -7.433 1.00 4.31 O ATOM 853 OE2 GLU A 54 -8.828 -4.840 -8.195 1.00 55.14 O ATOM 0 H GLU A 54 -10.266 -3.978 -3.014 1.00 53.14 H new ATOM 0 HA GLU A 54 -10.877 -5.768 -5.085 1.00 44.31 H new ATOM 0 HB2 GLU A 54 -8.445 -4.280 -4.120 1.00 11.24 H new ATOM 0 HB3 GLU A 54 -8.192 -5.570 -5.280 1.00 11.24 H new ATOM 0 HG2 GLU A 54 -10.135 -3.276 -5.729 1.00 1.04 H new ATOM 0 HG3 GLU A 54 -8.466 -3.247 -6.262 1.00 1.04 H new ATOM 860 N LEU A 55 -8.887 -7.037 -2.752 1.00 22.24 N ATOM 861 CA LEU A 55 -8.365 -8.293 -2.198 1.00 52.03 C ATOM 862 C LEU A 55 -9.496 -9.225 -1.725 1.00 72.44 C ATOM 863 O LEU A 55 -9.375 -10.447 -1.803 1.00 51.13 O ATOM 864 CB LEU A 55 -7.397 -7.995 -1.045 1.00 14.23 C ATOM 865 CG LEU A 55 -6.146 -7.188 -1.436 1.00 43.42 C ATOM 866 CD1 LEU A 55 -5.309 -6.861 -0.203 1.00 53.22 C ATOM 867 CD2 LEU A 55 -5.313 -7.945 -2.473 1.00 61.42 C ATOM 0 H LEU A 55 -8.606 -6.203 -2.236 1.00 22.24 H new ATOM 0 HA LEU A 55 -7.829 -8.811 -2.993 1.00 52.03 H new ATOM 0 HB2 LEU A 55 -7.936 -7.449 -0.271 1.00 14.23 H new ATOM 0 HB3 LEU A 55 -7.078 -8.940 -0.605 1.00 14.23 H new ATOM 0 HG LEU A 55 -6.473 -6.250 -1.884 1.00 43.42 H new ATOM 0 HD11 LEU A 55 -4.429 -6.290 -0.501 1.00 53.22 H new ATOM 0 HD12 LEU A 55 -5.904 -6.272 0.495 1.00 53.22 H new ATOM 0 HD13 LEU A 55 -4.995 -7.787 0.279 1.00 53.22 H new ATOM 0 HD21 LEU A 55 -4.434 -7.356 -2.734 1.00 61.42 H new ATOM 0 HD22 LEU A 55 -4.998 -8.902 -2.058 1.00 61.42 H new ATOM 0 HD23 LEU A 55 -5.913 -8.117 -3.366 1.00 61.42 H new ATOM 879 N GLU A 56 -10.591 -8.642 -1.242 1.00 11.34 N ATOM 880 CA GLU A 56 -11.769 -9.415 -0.828 1.00 25.14 C ATOM 881 C GLU A 56 -12.561 -9.912 -2.051 1.00 53.20 C ATOM 882 O GLU A 56 -13.138 -11.001 -2.032 1.00 55.45 O ATOM 883 CB GLU A 56 -12.676 -8.562 0.074 1.00 14.44 C ATOM 884 CG GLU A 56 -12.014 -8.117 1.378 1.00 44.14 C ATOM 885 CD GLU A 56 -12.922 -7.249 2.239 1.00 53.32 C ATOM 886 OE1 GLU A 56 -12.989 -6.021 2.002 1.00 11.53 O ATOM 887 OE2 GLU A 56 -13.577 -7.786 3.155 1.00 72.52 O ATOM 0 H GLU A 56 -10.691 -7.634 -1.126 1.00 11.34 H new ATOM 0 HA GLU A 56 -11.423 -10.283 -0.267 1.00 25.14 H new ATOM 0 HB2 GLU A 56 -12.995 -7.679 -0.480 1.00 14.44 H new ATOM 0 HB3 GLU A 56 -13.575 -9.131 0.311 1.00 14.44 H new ATOM 0 HG2 GLU A 56 -11.716 -8.998 1.947 1.00 44.14 H new ATOM 0 HG3 GLU A 56 -11.104 -7.564 1.147 1.00 44.14 H new ATOM 894 N ALA A 57 -12.585 -9.101 -3.113 1.00 43.51 N ATOM 895 CA ALA A 57 -13.276 -9.465 -4.357 1.00 43.42 C ATOM 896 C ALA A 57 -12.524 -10.563 -5.128 1.00 60.00 C ATOM 897 O ALA A 57 -13.123 -11.331 -5.882 1.00 21.43 O ATOM 898 CB ALA A 57 -13.461 -8.232 -5.236 1.00 74.43 C ATOM 0 H ALA A 57 -12.134 -8.187 -3.138 1.00 43.51 H new ATOM 0 HA ALA A 57 -14.254 -9.864 -4.088 1.00 43.42 H new ATOM 0 HB1 ALA A 57 -13.974 -8.514 -6.155 1.00 74.43 H new ATOM 0 HB2 ALA A 57 -14.055 -7.490 -4.702 1.00 74.43 H new ATOM 0 HB3 ALA A 57 -12.486 -7.809 -5.480 1.00 74.43 H new ATOM 904 N LYS A 58 -11.206 -10.620 -4.950 1.00 13.10 N ATOM 905 CA LYS A 58 -10.379 -11.654 -5.586 1.00 51.40 C ATOM 906 C LYS A 58 -10.264 -12.888 -4.671 1.00 53.35 C ATOM 907 O LYS A 58 -9.375 -12.970 -3.822 1.00 32.11 O ATOM 908 CB LYS A 58 -8.984 -11.094 -5.901 1.00 11.01 C ATOM 909 CG LYS A 58 -8.999 -9.789 -6.693 1.00 62.22 C ATOM 910 CD LYS A 58 -7.596 -9.202 -6.845 1.00 43.00 C ATOM 911 CE LYS A 58 -7.626 -7.762 -7.358 1.00 63.23 C ATOM 912 NZ LYS A 58 -8.305 -7.638 -8.675 1.00 63.02 N ATOM 0 H LYS A 58 -10.683 -9.963 -4.371 1.00 13.10 H new ATOM 0 HA LYS A 58 -10.855 -11.957 -6.518 1.00 51.40 H new ATOM 0 HB2 LYS A 58 -8.450 -10.932 -4.965 1.00 11.01 H new ATOM 0 HB3 LYS A 58 -8.423 -11.841 -6.463 1.00 11.01 H new ATOM 0 HG2 LYS A 58 -9.427 -9.967 -7.679 1.00 62.22 H new ATOM 0 HG3 LYS A 58 -9.643 -9.067 -6.191 1.00 62.22 H new ATOM 0 HD2 LYS A 58 -7.085 -9.233 -5.883 1.00 43.00 H new ATOM 0 HD3 LYS A 58 -7.018 -9.819 -7.533 1.00 43.00 H new ATOM 0 HE2 LYS A 58 -8.136 -7.131 -6.630 1.00 63.23 H new ATOM 0 HE3 LYS A 58 -6.605 -7.389 -7.443 1.00 63.23 H new ATOM 0 HZ1 LYS A 58 -8.434 -6.632 -8.906 1.00 63.02 H new ATOM 0 HZ2 LYS A 58 -7.724 -8.090 -9.409 1.00 63.02 H new ATOM 0 HZ3 LYS A 58 -9.233 -8.105 -8.632 1.00 63.02 H new ATOM 926 N HIS A 59 -11.167 -13.850 -4.856 1.00 71.35 N ATOM 927 CA HIS A 59 -11.296 -14.994 -3.937 1.00 65.41 C ATOM 928 C HIS A 59 -10.098 -15.966 -3.976 1.00 65.32 C ATOM 929 O HIS A 59 -10.032 -16.893 -3.169 1.00 23.33 O ATOM 930 CB HIS A 59 -12.604 -15.750 -4.216 1.00 42.33 C ATOM 931 CG HIS A 59 -13.834 -14.989 -3.817 1.00 74.21 C ATOM 932 ND1 HIS A 59 -14.848 -15.537 -3.062 1.00 73.13 N ATOM 933 CD2 HIS A 59 -14.211 -13.714 -4.071 1.00 54.13 C ATOM 934 CE1 HIS A 59 -15.789 -14.637 -2.868 1.00 73.21 C ATOM 935 NE2 HIS A 59 -15.426 -13.524 -3.468 1.00 40.43 N ATOM 0 H HIS A 59 -11.825 -13.865 -5.635 1.00 71.35 H new ATOM 0 HA HIS A 59 -11.311 -14.576 -2.931 1.00 65.41 H new ATOM 0 HB2 HIS A 59 -12.660 -15.983 -5.279 1.00 42.33 H new ATOM 0 HB3 HIS A 59 -12.586 -16.700 -3.682 1.00 42.33 H new ATOM 0 HD2 HIS A 59 -13.657 -12.983 -4.642 1.00 54.13 H new ATOM 0 HE1 HIS A 59 -16.702 -14.787 -2.312 1.00 73.21 H new ATOM 0 HE2 HIS A 59 -15.964 -12.657 -3.482 1.00 40.43 H new ATOM 944 N TRP A 60 -9.162 -15.779 -4.906 1.00 34.33 N ATOM 945 CA TRP A 60 -7.940 -16.598 -4.915 1.00 41.02 C ATOM 946 C TRP A 60 -6.854 -16.002 -3.995 1.00 64.02 C ATOM 947 O TRP A 60 -5.838 -16.641 -3.715 1.00 70.03 O ATOM 948 CB TRP A 60 -7.420 -16.805 -6.348 1.00 13.21 C ATOM 949 CG TRP A 60 -6.954 -15.561 -7.051 1.00 32.21 C ATOM 950 CD1 TRP A 60 -7.729 -14.637 -7.696 1.00 13.12 C ATOM 951 CD2 TRP A 60 -5.596 -15.127 -7.209 1.00 25.30 C ATOM 952 NE1 TRP A 60 -6.934 -13.656 -8.239 1.00 31.14 N ATOM 953 CE2 TRP A 60 -5.623 -13.933 -7.952 1.00 31.45 C ATOM 954 CE3 TRP A 60 -4.363 -15.633 -6.788 1.00 72.00 C ATOM 955 CZ2 TRP A 60 -4.463 -13.238 -8.285 1.00 44.12 C ATOM 956 CZ3 TRP A 60 -3.213 -14.943 -7.118 1.00 44.02 C ATOM 957 CH2 TRP A 60 -3.269 -13.756 -7.859 1.00 33.23 C ATOM 0 H TRP A 60 -9.219 -15.084 -5.650 1.00 34.33 H new ATOM 0 HA TRP A 60 -8.196 -17.579 -4.516 1.00 41.02 H new ATOM 0 HB2 TRP A 60 -6.594 -17.516 -6.317 1.00 13.21 H new ATOM 0 HB3 TRP A 60 -8.212 -17.262 -6.941 1.00 13.21 H new ATOM 0 HD1 TRP A 60 -8.806 -14.673 -7.768 1.00 13.12 H new ATOM 0 HE1 TRP A 60 -7.266 -12.851 -8.770 1.00 31.14 H new ATOM 0 HE3 TRP A 60 -4.310 -16.547 -6.215 1.00 72.00 H new ATOM 0 HZ2 TRP A 60 -4.504 -12.324 -8.858 1.00 44.12 H new ATOM 0 HZ3 TRP A 60 -2.255 -15.325 -6.799 1.00 44.02 H new ATOM 0 HH2 TRP A 60 -2.352 -13.239 -8.099 1.00 33.23 H new ATOM 968 N ILE A 61 -7.085 -14.778 -3.517 1.00 31.25 N ATOM 969 CA ILE A 61 -6.241 -14.171 -2.478 1.00 62.35 C ATOM 970 C ILE A 61 -6.610 -14.756 -1.105 1.00 62.35 C ATOM 971 O ILE A 61 -7.789 -14.832 -0.755 1.00 32.01 O ATOM 972 CB ILE A 61 -6.395 -12.618 -2.442 1.00 24.05 C ATOM 973 CG1 ILE A 61 -5.599 -11.942 -3.575 1.00 33.22 C ATOM 974 CG2 ILE A 61 -5.960 -12.047 -1.093 1.00 42.41 C ATOM 975 CD1 ILE A 61 -5.953 -12.412 -4.967 1.00 11.04 C ATOM 0 H ILE A 61 -7.851 -14.183 -3.832 1.00 31.25 H new ATOM 0 HA ILE A 61 -5.202 -14.400 -2.716 1.00 62.35 H new ATOM 0 HB ILE A 61 -7.454 -12.403 -2.588 1.00 24.05 H new ATOM 0 HG12 ILE A 61 -5.758 -10.865 -3.519 1.00 33.22 H new ATOM 0 HG13 ILE A 61 -4.536 -12.116 -3.407 1.00 33.22 H new ATOM 0 HG21 ILE A 61 -6.080 -10.964 -1.101 1.00 42.41 H new ATOM 0 HG22 ILE A 61 -6.576 -12.474 -0.301 1.00 42.41 H new ATOM 0 HG23 ILE A 61 -4.914 -12.295 -0.913 1.00 42.41 H new ATOM 0 HD11 ILE A 61 -5.342 -11.881 -5.697 1.00 11.04 H new ATOM 0 HD12 ILE A 61 -5.766 -13.483 -5.048 1.00 11.04 H new ATOM 0 HD13 ILE A 61 -7.007 -12.212 -5.162 1.00 11.04 H new ATOM 987 N ALA A 62 -5.614 -15.164 -0.329 1.00 22.51 N ATOM 988 CA ALA A 62 -5.870 -15.796 0.967 1.00 34.22 C ATOM 989 C ALA A 62 -6.088 -14.753 2.070 1.00 2.04 C ATOM 990 O ALA A 62 -5.822 -13.564 1.886 1.00 4.50 O ATOM 991 CB ALA A 62 -4.729 -16.732 1.334 1.00 2.23 C ATOM 0 H ALA A 62 -4.627 -15.071 -0.568 1.00 22.51 H new ATOM 0 HA ALA A 62 -6.788 -16.378 0.878 1.00 34.22 H new ATOM 0 HB1 ALA A 62 -4.934 -17.194 2.300 1.00 2.23 H new ATOM 0 HB2 ALA A 62 -4.635 -17.507 0.573 1.00 2.23 H new ATOM 0 HB3 ALA A 62 -3.799 -16.167 1.392 1.00 2.23 H new ATOM 997 N GLU A 63 -6.579 -15.204 3.217 1.00 24.13 N ATOM 998 CA GLU A 63 -6.837 -14.313 4.350 1.00 73.43 C ATOM 999 C GLU A 63 -5.527 -13.815 4.979 1.00 5.32 C ATOM 1000 O GLU A 63 -5.371 -12.627 5.259 1.00 55.22 O ATOM 1001 CB GLU A 63 -7.697 -15.034 5.396 1.00 62.42 C ATOM 1002 CG GLU A 63 -8.030 -14.184 6.617 1.00 74.12 C ATOM 1003 CD GLU A 63 -8.949 -14.899 7.593 1.00 12.15 C ATOM 1004 OE1 GLU A 63 -10.185 -14.784 7.445 1.00 44.01 O ATOM 1005 OE2 GLU A 63 -8.441 -15.583 8.503 1.00 74.02 O ATOM 0 H GLU A 63 -6.808 -16.183 3.391 1.00 24.13 H new ATOM 0 HA GLU A 63 -7.378 -13.441 3.983 1.00 73.43 H new ATOM 0 HB2 GLU A 63 -8.626 -15.358 4.927 1.00 62.42 H new ATOM 0 HB3 GLU A 63 -7.175 -15.933 5.723 1.00 62.42 H new ATOM 0 HG2 GLU A 63 -7.107 -13.910 7.127 1.00 74.12 H new ATOM 0 HG3 GLU A 63 -8.502 -13.257 6.292 1.00 74.12 H new ATOM 1012 N ALA A 64 -4.581 -14.728 5.178 1.00 53.44 N ATOM 1013 CA ALA A 64 -3.301 -14.395 5.816 1.00 54.34 C ATOM 1014 C ALA A 64 -2.527 -13.293 5.063 1.00 12.34 C ATOM 1015 O ALA A 64 -2.094 -12.306 5.666 1.00 51.45 O ATOM 1016 CB ALA A 64 -2.444 -15.650 5.947 1.00 2.51 C ATOM 0 H ALA A 64 -4.672 -15.707 4.908 1.00 53.44 H new ATOM 0 HA ALA A 64 -3.528 -13.998 6.806 1.00 54.34 H new ATOM 0 HB1 ALA A 64 -1.496 -15.395 6.421 1.00 2.51 H new ATOM 0 HB2 ALA A 64 -2.968 -16.387 6.556 1.00 2.51 H new ATOM 0 HB3 ALA A 64 -2.255 -16.066 4.958 1.00 2.51 H new ATOM 1022 N ASP A 65 -2.368 -13.449 3.749 1.00 14.35 N ATOM 1023 CA ASP A 65 -1.605 -12.474 2.958 1.00 63.12 C ATOM 1024 C ASP A 65 -2.361 -11.147 2.760 1.00 51.51 C ATOM 1025 O ASP A 65 -1.761 -10.073 2.874 1.00 22.51 O ATOM 1026 CB ASP A 65 -1.169 -13.065 1.607 1.00 13.44 C ATOM 1027 CG ASP A 65 -2.186 -14.019 1.015 1.00 21.01 C ATOM 1028 OD1 ASP A 65 -3.218 -13.555 0.498 1.00 23.41 O ATOM 1029 OD2 ASP A 65 -1.954 -15.245 1.085 1.00 34.44 O ATOM 0 H ASP A 65 -2.750 -14.228 3.213 1.00 14.35 H new ATOM 0 HA ASP A 65 -0.710 -12.244 3.536 1.00 63.12 H new ATOM 0 HB2 ASP A 65 -0.991 -12.252 0.903 1.00 13.44 H new ATOM 0 HB3 ASP A 65 -0.222 -13.589 1.736 1.00 13.44 H new ATOM 1034 N ARG A 66 -3.665 -11.208 2.465 1.00 64.30 N ATOM 1035 CA ARG A 66 -4.464 -9.980 2.305 1.00 5.01 C ATOM 1036 C ARG A 66 -4.407 -9.111 3.575 1.00 51.54 C ATOM 1037 O ARG A 66 -4.219 -7.899 3.498 1.00 10.01 O ATOM 1038 CB ARG A 66 -5.931 -10.291 1.944 1.00 45.01 C ATOM 1039 CG ARG A 66 -6.747 -10.907 3.078 1.00 32.14 C ATOM 1040 CD ARG A 66 -8.215 -11.083 2.703 1.00 31.02 C ATOM 1041 NE ARG A 66 -8.407 -12.026 1.603 1.00 44.14 N ATOM 1042 CZ ARG A 66 -9.580 -12.430 1.186 1.00 72.44 C ATOM 1043 NH1 ARG A 66 -10.660 -12.044 1.788 1.00 22.02 N ATOM 1044 NH2 ARG A 66 -9.675 -13.242 0.186 1.00 74.43 N ATOM 0 H ARG A 66 -4.185 -12.076 2.334 1.00 64.30 H new ATOM 0 HA ARG A 66 -4.024 -9.423 1.478 1.00 5.01 H new ATOM 0 HB2 ARG A 66 -6.416 -9.369 1.624 1.00 45.01 H new ATOM 0 HB3 ARG A 66 -5.946 -10.971 1.092 1.00 45.01 H new ATOM 0 HG2 ARG A 66 -6.323 -11.875 3.344 1.00 32.14 H new ATOM 0 HG3 ARG A 66 -6.673 -10.274 3.962 1.00 32.14 H new ATOM 0 HD2 ARG A 66 -8.769 -11.430 3.575 1.00 31.02 H new ATOM 0 HD3 ARG A 66 -8.633 -10.116 2.424 1.00 31.02 H new ATOM 0 HE ARG A 66 -7.578 -12.391 1.133 1.00 44.14 H new ATOM 0 HH11 ARG A 66 -10.600 -11.421 2.593 1.00 22.02 H new ATOM 0 HH12 ARG A 66 -11.570 -12.363 1.457 1.00 22.02 H new ATOM 0 HH21 ARG A 66 -8.832 -13.573 -0.284 1.00 74.43 H new ATOM 0 HH22 ARG A 66 -10.593 -13.553 -0.133 1.00 74.43 H new ATOM 1058 N ILE A 67 -4.550 -9.739 4.744 1.00 74.42 N ATOM 1059 CA ILE A 67 -4.486 -9.017 6.021 1.00 52.31 C ATOM 1060 C ILE A 67 -3.110 -8.362 6.219 1.00 3.31 C ATOM 1061 O ILE A 67 -3.020 -7.181 6.555 1.00 61.11 O ATOM 1062 CB ILE A 67 -4.800 -9.956 7.222 1.00 71.15 C ATOM 1063 CG1 ILE A 67 -6.261 -10.447 7.153 1.00 35.22 C ATOM 1064 CG2 ILE A 67 -4.530 -9.255 8.557 1.00 42.45 C ATOM 1065 CD1 ILE A 67 -7.293 -9.337 7.224 1.00 31.30 C ATOM 0 H ILE A 67 -4.710 -10.742 4.835 1.00 74.42 H new ATOM 0 HA ILE A 67 -5.245 -8.236 5.985 1.00 52.31 H new ATOM 0 HB ILE A 67 -4.138 -10.820 7.158 1.00 71.15 H new ATOM 0 HG12 ILE A 67 -6.403 -11.001 6.225 1.00 35.22 H new ATOM 0 HG13 ILE A 67 -6.437 -11.145 7.972 1.00 35.22 H new ATOM 0 HG21 ILE A 67 -4.758 -9.935 9.378 1.00 42.45 H new ATOM 0 HG22 ILE A 67 -3.481 -8.963 8.609 1.00 42.45 H new ATOM 0 HG23 ILE A 67 -5.158 -8.368 8.636 1.00 42.45 H new ATOM 0 HD11 ILE A 67 -8.293 -9.766 7.169 1.00 31.30 H new ATOM 0 HD12 ILE A 67 -7.181 -8.796 8.164 1.00 31.30 H new ATOM 0 HD13 ILE A 67 -7.147 -8.650 6.390 1.00 31.30 H new ATOM 1077 N ASN A 68 -2.046 -9.134 5.990 1.00 54.04 N ATOM 1078 CA ASN A 68 -0.671 -8.627 6.105 1.00 3.11 C ATOM 1079 C ASN A 68 -0.474 -7.331 5.299 1.00 74.43 C ATOM 1080 O ASN A 68 -0.138 -6.282 5.858 1.00 21.12 O ATOM 1081 CB ASN A 68 0.326 -9.688 5.616 1.00 23.00 C ATOM 1082 CG ASN A 68 1.760 -9.179 5.614 1.00 21.23 C ATOM 1083 OD1 ASN A 68 2.164 -8.416 6.481 1.00 4.42 O ATOM 1084 ND2 ASN A 68 2.529 -9.571 4.620 1.00 75.04 N ATOM 0 H ASN A 68 -2.107 -10.116 5.723 1.00 54.04 H new ATOM 0 HA ASN A 68 -0.490 -8.406 7.157 1.00 3.11 H new ATOM 0 HB2 ASN A 68 0.257 -10.569 6.254 1.00 23.00 H new ATOM 0 HB3 ASN A 68 0.053 -10.002 4.608 1.00 23.00 H new ATOM 0 HD21 ASN A 68 3.491 -9.238 4.557 1.00 75.04 H new ATOM 0 HD22 ASN A 68 2.163 -10.208 3.912 1.00 75.04 H new ATOM 1091 N VAL A 69 -0.705 -7.406 3.986 1.00 20.33 N ATOM 1092 CA VAL A 69 -0.487 -6.258 3.099 1.00 72.31 C ATOM 1093 C VAL A 69 -1.392 -5.068 3.462 1.00 32.53 C ATOM 1094 O VAL A 69 -1.006 -3.913 3.288 1.00 14.21 O ATOM 1095 CB VAL A 69 -0.681 -6.634 1.607 1.00 4.13 C ATOM 1096 CG1 VAL A 69 0.329 -7.701 1.190 1.00 11.40 C ATOM 1097 CG2 VAL A 69 -2.107 -7.106 1.338 1.00 52.35 C ATOM 0 H VAL A 69 -1.042 -8.245 3.514 1.00 20.33 H new ATOM 0 HA VAL A 69 0.550 -5.955 3.245 1.00 72.31 H new ATOM 0 HB VAL A 69 -0.508 -5.740 1.008 1.00 4.13 H new ATOM 0 HG11 VAL A 69 0.179 -7.953 0.140 1.00 11.40 H new ATOM 0 HG12 VAL A 69 1.340 -7.319 1.331 1.00 11.40 H new ATOM 0 HG13 VAL A 69 0.189 -8.593 1.801 1.00 11.40 H new ATOM 0 HG21 VAL A 69 -2.213 -7.362 0.284 1.00 52.35 H new ATOM 0 HG22 VAL A 69 -2.321 -7.983 1.948 1.00 52.35 H new ATOM 0 HG23 VAL A 69 -2.807 -6.310 1.590 1.00 52.35 H new ATOM 1107 N LEU A 70 -2.587 -5.352 3.981 1.00 14.30 N ATOM 1108 CA LEU A 70 -3.497 -4.296 4.440 1.00 60.10 C ATOM 1109 C LEU A 70 -2.969 -3.602 5.708 1.00 62.21 C ATOM 1110 O LEU A 70 -3.120 -2.389 5.867 1.00 12.50 O ATOM 1111 CB LEU A 70 -4.900 -4.862 4.697 1.00 42.54 C ATOM 1112 CG LEU A 70 -5.672 -5.290 3.440 1.00 55.42 C ATOM 1113 CD1 LEU A 70 -7.023 -5.898 3.812 1.00 31.33 C ATOM 1114 CD2 LEU A 70 -5.848 -4.106 2.491 1.00 75.24 C ATOM 0 H LEU A 70 -2.948 -6.299 4.095 1.00 14.30 H new ATOM 0 HA LEU A 70 -3.554 -3.551 3.647 1.00 60.10 H new ATOM 0 HB2 LEU A 70 -4.812 -5.722 5.360 1.00 42.54 H new ATOM 0 HB3 LEU A 70 -5.486 -4.111 5.226 1.00 42.54 H new ATOM 0 HG LEU A 70 -5.092 -6.056 2.925 1.00 55.42 H new ATOM 0 HD11 LEU A 70 -7.551 -6.193 2.905 1.00 31.33 H new ATOM 0 HD12 LEU A 70 -6.867 -6.773 4.442 1.00 31.33 H new ATOM 0 HD13 LEU A 70 -7.616 -5.162 4.354 1.00 31.33 H new ATOM 0 HD21 LEU A 70 -6.397 -4.428 1.606 1.00 75.24 H new ATOM 0 HD22 LEU A 70 -6.403 -3.315 2.995 1.00 75.24 H new ATOM 0 HD23 LEU A 70 -4.869 -3.729 2.194 1.00 75.24 H new ATOM 1126 N ASN A 71 -2.359 -4.373 6.608 1.00 41.23 N ATOM 1127 CA ASN A 71 -1.789 -3.814 7.841 1.00 2.21 C ATOM 1128 C ASN A 71 -0.587 -2.911 7.538 1.00 22.51 C ATOM 1129 O ASN A 71 -0.550 -1.752 7.955 1.00 11.24 O ATOM 1130 CB ASN A 71 -1.375 -4.935 8.800 1.00 73.54 C ATOM 1131 CG ASN A 71 -2.555 -5.764 9.267 1.00 43.11 C ATOM 1132 OD1 ASN A 71 -3.684 -5.291 9.303 1.00 43.12 O ATOM 1133 ND2 ASN A 71 -2.305 -6.999 9.650 1.00 72.22 N ATOM 0 H ASN A 71 -2.245 -5.382 6.511 1.00 41.23 H new ATOM 0 HA ASN A 71 -2.560 -3.208 8.317 1.00 2.21 H new ATOM 0 HB2 ASN A 71 -0.652 -5.584 8.305 1.00 73.54 H new ATOM 0 HB3 ASN A 71 -0.874 -4.502 9.666 1.00 73.54 H new ATOM 0 HD21 ASN A 71 -3.063 -7.591 9.989 1.00 72.22 H new ATOM 0 HD22 ASN A 71 -1.353 -7.363 9.608 1.00 72.22 H new ATOM 1140 N GLN A 72 0.383 -3.439 6.790 1.00 30.53 N ATOM 1141 CA GLN A 72 1.582 -2.672 6.431 1.00 43.51 C ATOM 1142 C GLN A 72 1.219 -1.436 5.585 1.00 4.10 C ATOM 1143 O GLN A 72 1.843 -0.381 5.711 1.00 3.52 O ATOM 1144 CB GLN A 72 2.598 -3.569 5.698 1.00 54.20 C ATOM 1145 CG GLN A 72 2.084 -4.150 4.383 1.00 2.15 C ATOM 1146 CD GLN A 72 3.053 -5.129 3.729 1.00 40.52 C ATOM 1147 OE1 GLN A 72 3.124 -5.227 2.510 1.00 24.32 O ATOM 1148 NE2 GLN A 72 3.781 -5.882 4.530 1.00 35.13 N ATOM 0 H GLN A 72 0.365 -4.390 6.421 1.00 30.53 H new ATOM 0 HA GLN A 72 2.045 -2.315 7.351 1.00 43.51 H new ATOM 0 HB2 GLN A 72 3.500 -2.990 5.499 1.00 54.20 H new ATOM 0 HB3 GLN A 72 2.884 -4.388 6.357 1.00 54.20 H new ATOM 0 HG2 GLN A 72 1.136 -4.657 4.565 1.00 2.15 H new ATOM 0 HG3 GLN A 72 1.881 -3.334 3.689 1.00 2.15 H new ATOM 0 HE21 GLN A 72 3.700 -5.777 5.541 1.00 35.13 H new ATOM 0 HE22 GLN A 72 4.425 -6.569 4.138 1.00 35.13 H new ATOM 1157 N ALA A 73 0.199 -1.570 4.731 1.00 41.13 N ATOM 1158 CA ALA A 73 -0.326 -0.431 3.963 1.00 53.10 C ATOM 1159 C ALA A 73 -0.884 0.655 4.895 1.00 64.30 C ATOM 1160 O ALA A 73 -0.566 1.837 4.750 1.00 44.10 O ATOM 1161 CB ALA A 73 -1.404 -0.894 2.989 1.00 51.43 C ATOM 0 H ALA A 73 -0.280 -2.453 4.553 1.00 41.13 H new ATOM 0 HA ALA A 73 0.500 -0.001 3.396 1.00 53.10 H new ATOM 0 HB1 ALA A 73 -1.781 -0.038 2.429 1.00 51.43 H new ATOM 0 HB2 ALA A 73 -0.981 -1.622 2.297 1.00 51.43 H new ATOM 0 HB3 ALA A 73 -2.222 -1.354 3.543 1.00 51.43 H new ATOM 1167 N THR A 74 -1.715 0.243 5.854 1.00 31.53 N ATOM 1168 CA THR A 74 -2.275 1.169 6.851 1.00 12.10 C ATOM 1169 C THR A 74 -1.164 1.922 7.594 1.00 42.11 C ATOM 1170 O THR A 74 -1.267 3.126 7.832 1.00 41.43 O ATOM 1171 CB THR A 74 -3.161 0.430 7.891 1.00 44.02 C ATOM 1172 OG1 THR A 74 -4.246 -0.234 7.232 1.00 64.45 O ATOM 1173 CG2 THR A 74 -3.721 1.394 8.935 1.00 13.00 C ATOM 0 H THR A 74 -2.018 -0.725 5.965 1.00 31.53 H new ATOM 0 HA THR A 74 -2.893 1.879 6.301 1.00 12.10 H new ATOM 0 HB THR A 74 -2.532 -0.301 8.398 1.00 44.02 H new ATOM 0 HG1 THR A 74 -3.901 -0.995 6.720 1.00 64.45 H new ATOM 0 HG21 THR A 74 -4.336 0.843 9.646 1.00 13.00 H new ATOM 0 HG22 THR A 74 -2.898 1.876 9.463 1.00 13.00 H new ATOM 0 HG23 THR A 74 -4.329 2.152 8.441 1.00 13.00 H new ATOM 1181 N GLU A 75 -0.097 1.203 7.947 1.00 53.34 N ATOM 1182 CA GLU A 75 1.061 1.807 8.614 1.00 22.55 C ATOM 1183 C GLU A 75 1.688 2.918 7.753 1.00 43.04 C ATOM 1184 O GLU A 75 1.997 4.000 8.252 1.00 22.41 O ATOM 1185 CB GLU A 75 2.105 0.728 8.939 1.00 44.43 C ATOM 1186 CG GLU A 75 1.622 -0.302 9.953 1.00 24.30 C ATOM 1187 CD GLU A 75 2.657 -1.379 10.236 1.00 55.40 C ATOM 1188 OE1 GLU A 75 3.655 -1.081 10.926 1.00 22.01 O ATOM 1189 OE2 GLU A 75 2.473 -2.528 9.781 1.00 12.45 O ATOM 0 H GLU A 75 -0.009 0.200 7.782 1.00 53.34 H new ATOM 0 HA GLU A 75 0.717 2.261 9.543 1.00 22.55 H new ATOM 0 HB2 GLU A 75 2.385 0.216 8.018 1.00 44.43 H new ATOM 0 HB3 GLU A 75 3.005 1.209 9.322 1.00 44.43 H new ATOM 0 HG2 GLU A 75 1.366 0.204 10.884 1.00 24.30 H new ATOM 0 HG3 GLU A 75 0.709 -0.769 9.583 1.00 24.30 H new ATOM 1196 N VAL A 76 1.864 2.646 6.457 1.00 45.50 N ATOM 1197 CA VAL A 76 2.402 3.645 5.519 1.00 22.44 C ATOM 1198 C VAL A 76 1.474 4.869 5.409 1.00 54.44 C ATOM 1199 O VAL A 76 1.933 6.012 5.392 1.00 12.40 O ATOM 1200 CB VAL A 76 2.619 3.044 4.102 1.00 21.01 C ATOM 1201 CG1 VAL A 76 3.171 4.096 3.137 1.00 20.12 C ATOM 1202 CG2 VAL A 76 3.544 1.827 4.164 1.00 13.14 C ATOM 0 H VAL A 76 1.644 1.746 6.031 1.00 45.50 H new ATOM 0 HA VAL A 76 3.365 3.959 5.921 1.00 22.44 H new ATOM 0 HB VAL A 76 1.650 2.717 3.725 1.00 21.01 H new ATOM 0 HG11 VAL A 76 3.313 3.648 2.153 1.00 20.12 H new ATOM 0 HG12 VAL A 76 2.467 4.924 3.060 1.00 20.12 H new ATOM 0 HG13 VAL A 76 4.127 4.465 3.509 1.00 20.12 H new ATOM 0 HG21 VAL A 76 3.681 1.423 3.161 1.00 13.14 H new ATOM 0 HG22 VAL A 76 4.510 2.125 4.571 1.00 13.14 H new ATOM 0 HG23 VAL A 76 3.100 1.065 4.804 1.00 13.14 H new ATOM 1212 N ILE A 77 0.164 4.617 5.341 1.00 51.15 N ATOM 1213 CA ILE A 77 -0.835 5.691 5.254 1.00 14.30 C ATOM 1214 C ILE A 77 -0.818 6.583 6.512 1.00 32.53 C ATOM 1215 O ILE A 77 -0.773 7.814 6.418 1.00 14.04 O ATOM 1216 CB ILE A 77 -2.260 5.115 5.040 1.00 22.33 C ATOM 1217 CG1 ILE A 77 -2.330 4.335 3.711 1.00 52.35 C ATOM 1218 CG2 ILE A 77 -3.310 6.230 5.066 1.00 14.55 C ATOM 1219 CD1 ILE A 77 -3.675 3.685 3.450 1.00 43.22 C ATOM 0 H ILE A 77 -0.232 3.677 5.344 1.00 51.15 H new ATOM 0 HA ILE A 77 -0.569 6.303 4.392 1.00 14.30 H new ATOM 0 HB ILE A 77 -2.477 4.428 5.858 1.00 22.33 H new ATOM 0 HG12 ILE A 77 -2.100 5.014 2.890 1.00 52.35 H new ATOM 0 HG13 ILE A 77 -1.559 3.564 3.712 1.00 52.35 H new ATOM 0 HG21 ILE A 77 -4.300 5.801 4.914 1.00 14.55 H new ATOM 0 HG22 ILE A 77 -3.279 6.737 6.030 1.00 14.55 H new ATOM 0 HG23 ILE A 77 -3.099 6.947 4.272 1.00 14.55 H new ATOM 0 HD11 ILE A 77 -3.645 3.156 2.497 1.00 43.22 H new ATOM 0 HD12 ILE A 77 -3.899 2.979 4.250 1.00 43.22 H new ATOM 0 HD13 ILE A 77 -4.449 4.452 3.415 1.00 43.22 H new ATOM 1231 N ASN A 78 -0.849 5.954 7.689 1.00 43.44 N ATOM 1232 CA ASN A 78 -0.786 6.687 8.958 1.00 33.12 C ATOM 1233 C ASN A 78 0.539 7.449 9.096 1.00 42.45 C ATOM 1234 O ASN A 78 0.570 8.566 9.616 1.00 62.22 O ATOM 1235 CB ASN A 78 -0.962 5.737 10.149 1.00 43.10 C ATOM 1236 CG ASN A 78 -2.331 5.087 10.186 1.00 54.34 C ATOM 1237 OD1 ASN A 78 -3.309 5.623 9.675 1.00 62.23 O ATOM 1238 ND2 ASN A 78 -2.416 3.935 10.815 1.00 74.20 N ATOM 0 H ASN A 78 -0.917 4.941 7.791 1.00 43.44 H new ATOM 0 HA ASN A 78 -1.603 7.408 8.956 1.00 33.12 H new ATOM 0 HB2 ASN A 78 -0.198 4.961 10.105 1.00 43.10 H new ATOM 0 HB3 ASN A 78 -0.802 6.289 11.075 1.00 43.10 H new ATOM 0 HD21 ASN A 78 -3.315 3.460 10.889 1.00 74.20 H new ATOM 0 HD22 ASN A 78 -1.583 3.517 11.229 1.00 74.20 H new ATOM 1245 N PHE A 79 1.624 6.832 8.631 1.00 74.51 N ATOM 1246 CA PHE A 79 2.948 7.464 8.620 1.00 33.53 C ATOM 1247 C PHE A 79 2.944 8.728 7.741 1.00 60.11 C ATOM 1248 O PHE A 79 3.384 9.797 8.168 1.00 31.45 O ATOM 1249 CB PHE A 79 3.992 6.454 8.117 1.00 44.43 C ATOM 1250 CG PHE A 79 5.407 6.975 8.074 1.00 75.31 C ATOM 1251 CD1 PHE A 79 6.066 7.337 9.243 1.00 61.25 C ATOM 1252 CD2 PHE A 79 6.082 7.099 6.865 1.00 14.11 C ATOM 1253 CE1 PHE A 79 7.366 7.807 9.204 1.00 54.12 C ATOM 1254 CE2 PHE A 79 7.381 7.566 6.824 1.00 2.32 C ATOM 1255 CZ PHE A 79 8.022 7.922 7.993 1.00 54.10 C ATOM 0 H PHE A 79 1.614 5.885 8.253 1.00 74.51 H new ATOM 0 HA PHE A 79 3.205 7.768 9.635 1.00 33.53 H new ATOM 0 HB2 PHE A 79 3.963 5.573 8.759 1.00 44.43 H new ATOM 0 HB3 PHE A 79 3.709 6.128 7.116 1.00 44.43 H new ATOM 0 HD1 PHE A 79 5.557 7.250 10.192 1.00 61.25 H new ATOM 0 HD2 PHE A 79 5.584 6.827 5.946 1.00 14.11 H new ATOM 0 HE1 PHE A 79 7.868 8.084 10.119 1.00 54.12 H new ATOM 0 HE2 PHE A 79 7.895 7.653 5.878 1.00 2.32 H new ATOM 0 HZ PHE A 79 9.037 8.291 7.962 1.00 54.10 H new ATOM 1265 N TRP A 80 2.423 8.595 6.520 1.00 44.11 N ATOM 1266 CA TRP A 80 2.292 9.727 5.589 1.00 63.42 C ATOM 1267 C TRP A 80 1.565 10.915 6.243 1.00 20.23 C ATOM 1268 O TRP A 80 2.018 12.061 6.164 1.00 45.41 O ATOM 1269 CB TRP A 80 1.532 9.276 4.332 1.00 1.40 C ATOM 1270 CG TRP A 80 1.248 10.379 3.351 1.00 44.42 C ATOM 1271 CD1 TRP A 80 2.066 10.815 2.348 1.00 12.20 C ATOM 1272 CD2 TRP A 80 0.059 11.179 3.273 1.00 35.15 C ATOM 1273 NE1 TRP A 80 1.459 11.831 1.654 1.00 52.21 N ATOM 1274 CE2 TRP A 80 0.227 12.071 2.200 1.00 53.23 C ATOM 1275 CE3 TRP A 80 -1.132 11.223 4.003 1.00 50.14 C ATOM 1276 CZ2 TRP A 80 -0.746 12.998 1.841 1.00 32.20 C ATOM 1277 CZ3 TRP A 80 -2.098 12.145 3.646 1.00 1.11 C ATOM 1278 CH2 TRP A 80 -1.900 13.020 2.571 1.00 34.53 C ATOM 0 H TRP A 80 2.081 7.709 6.147 1.00 44.11 H new ATOM 0 HA TRP A 80 3.294 10.059 5.316 1.00 63.42 H new ATOM 0 HB2 TRP A 80 2.111 8.500 3.831 1.00 1.40 H new ATOM 0 HB3 TRP A 80 0.588 8.824 4.635 1.00 1.40 H new ATOM 0 HD1 TRP A 80 3.047 10.418 2.133 1.00 12.20 H new ATOM 0 HE1 TRP A 80 1.861 12.328 0.859 1.00 52.21 H new ATOM 0 HE3 TRP A 80 -1.295 10.549 4.831 1.00 50.14 H new ATOM 0 HZ2 TRP A 80 -0.594 13.676 1.014 1.00 32.20 H new ATOM 0 HZ3 TRP A 80 -3.021 12.191 4.205 1.00 1.11 H new ATOM 0 HH2 TRP A 80 -2.675 13.726 2.314 1.00 34.53 H new ATOM 1289 N GLN A 81 0.433 10.631 6.881 1.00 61.21 N ATOM 1290 CA GLN A 81 -0.356 11.665 7.559 1.00 45.41 C ATOM 1291 C GLN A 81 0.380 12.221 8.788 1.00 21.34 C ATOM 1292 O GLN A 81 0.378 13.429 9.032 1.00 61.32 O ATOM 1293 CB GLN A 81 -1.726 11.107 7.974 1.00 73.25 C ATOM 1294 CG GLN A 81 -2.617 12.126 8.678 1.00 63.50 C ATOM 1295 CD GLN A 81 -3.945 11.540 9.124 1.00 0.11 C ATOM 1296 OE1 GLN A 81 -4.073 11.028 10.231 1.00 3.40 O ATOM 1297 NE2 GLN A 81 -4.941 11.598 8.263 1.00 50.21 N ATOM 0 H GLN A 81 0.038 9.693 6.945 1.00 61.21 H new ATOM 0 HA GLN A 81 -0.501 12.484 6.854 1.00 45.41 H new ATOM 0 HB2 GLN A 81 -2.242 10.738 7.087 1.00 73.25 H new ATOM 0 HB3 GLN A 81 -1.575 10.252 8.634 1.00 73.25 H new ATOM 0 HG2 GLN A 81 -2.091 12.523 9.546 1.00 63.50 H new ATOM 0 HG3 GLN A 81 -2.803 12.964 8.007 1.00 63.50 H new ATOM 0 HE21 GLN A 81 -4.801 12.031 7.350 1.00 50.21 H new ATOM 0 HE22 GLN A 81 -5.852 11.210 8.510 1.00 50.21 H new ATOM 1306 N ASP A 82 1.021 11.337 9.548 1.00 12.44 N ATOM 1307 CA ASP A 82 1.743 11.739 10.756 1.00 31.42 C ATOM 1308 C ASP A 82 2.883 12.714 10.416 1.00 51.41 C ATOM 1309 O ASP A 82 3.184 13.633 11.183 1.00 32.42 O ATOM 1310 CB ASP A 82 2.293 10.504 11.476 1.00 13.33 C ATOM 1311 CG ASP A 82 2.725 10.810 12.897 1.00 64.01 C ATOM 1312 OD1 ASP A 82 1.847 11.049 13.753 1.00 60.22 O ATOM 1313 OD2 ASP A 82 3.941 10.833 13.164 1.00 74.34 O ATOM 0 H ASP A 82 1.056 10.337 9.350 1.00 12.44 H new ATOM 0 HA ASP A 82 1.046 12.253 11.418 1.00 31.42 H new ATOM 0 HB2 ASP A 82 1.531 9.725 11.490 1.00 13.33 H new ATOM 0 HB3 ASP A 82 3.142 10.109 10.918 1.00 13.33 H new ATOM 1318 N LEU A 83 3.512 12.509 9.259 1.00 4.33 N ATOM 1319 CA LEU A 83 4.530 13.436 8.760 1.00 11.23 C ATOM 1320 C LEU A 83 3.907 14.795 8.414 1.00 63.10 C ATOM 1321 O LEU A 83 4.488 15.840 8.695 1.00 22.42 O ATOM 1322 CB LEU A 83 5.232 12.855 7.529 1.00 2.10 C ATOM 1323 CG LEU A 83 5.936 11.511 7.750 1.00 12.33 C ATOM 1324 CD1 LEU A 83 6.643 11.065 6.477 1.00 1.03 C ATOM 1325 CD2 LEU A 83 6.912 11.595 8.922 1.00 35.44 C ATOM 0 H LEU A 83 3.335 11.710 8.650 1.00 4.33 H new ATOM 0 HA LEU A 83 5.267 13.581 9.550 1.00 11.23 H new ATOM 0 HB2 LEU A 83 4.496 12.734 6.734 1.00 2.10 H new ATOM 0 HB3 LEU A 83 5.967 13.578 7.175 1.00 2.10 H new ATOM 0 HG LEU A 83 5.183 10.764 7.999 1.00 12.33 H new ATOM 0 HD11 LEU A 83 7.138 10.109 6.651 1.00 1.03 H new ATOM 0 HD12 LEU A 83 5.913 10.955 5.675 1.00 1.03 H new ATOM 0 HD13 LEU A 83 7.385 11.811 6.192 1.00 1.03 H new ATOM 0 HD21 LEU A 83 7.399 10.630 9.060 1.00 35.44 H new ATOM 0 HD22 LEU A 83 7.665 12.355 8.715 1.00 35.44 H new ATOM 0 HD23 LEU A 83 6.369 11.860 9.829 1.00 35.44 H new ATOM 1337 N LYS A 84 2.717 14.764 7.809 1.00 11.21 N ATOM 1338 CA LYS A 84 1.980 15.992 7.473 1.00 61.24 C ATOM 1339 C LYS A 84 1.619 16.789 8.738 1.00 61.40 C ATOM 1340 O LYS A 84 1.512 18.014 8.701 1.00 10.23 O ATOM 1341 CB LYS A 84 0.708 15.653 6.676 1.00 1.41 C ATOM 1342 CG LYS A 84 0.983 15.061 5.292 1.00 63.51 C ATOM 1343 CD LYS A 84 1.663 16.070 4.364 1.00 55.22 C ATOM 1344 CE LYS A 84 1.843 15.522 2.949 1.00 73.33 C ATOM 1345 NZ LYS A 84 2.766 14.353 2.903 1.00 72.34 N ATOM 0 H LYS A 84 2.240 13.903 7.540 1.00 11.21 H new ATOM 0 HA LYS A 84 2.629 16.614 6.856 1.00 61.24 H new ATOM 0 HB2 LYS A 84 0.109 14.946 7.250 1.00 1.41 H new ATOM 0 HB3 LYS A 84 0.111 16.558 6.561 1.00 1.41 H new ATOM 0 HG2 LYS A 84 1.615 14.178 5.394 1.00 63.51 H new ATOM 0 HG3 LYS A 84 0.045 14.732 4.845 1.00 63.51 H new ATOM 0 HD2 LYS A 84 1.069 16.983 4.325 1.00 55.22 H new ATOM 0 HD3 LYS A 84 2.636 16.340 4.774 1.00 55.22 H new ATOM 0 HE2 LYS A 84 0.872 15.230 2.550 1.00 73.33 H new ATOM 0 HE3 LYS A 84 2.229 16.311 2.304 1.00 73.33 H new ATOM 0 HZ1 LYS A 84 3.558 14.561 2.261 1.00 72.34 H new ATOM 0 HZ2 LYS A 84 3.134 14.163 3.857 1.00 72.34 H new ATOM 0 HZ3 LYS A 84 2.251 13.518 2.558 1.00 72.34 H new ATOM 1359 N ASN A 85 1.426 16.084 9.854 1.00 22.04 N ATOM 1360 CA ASN A 85 1.205 16.734 11.154 1.00 1.43 C ATOM 1361 C ASN A 85 2.493 17.407 11.655 1.00 2.42 C ATOM 1362 O ASN A 85 2.469 18.519 12.183 1.00 12.42 O ATOM 1363 CB ASN A 85 0.729 15.707 12.192 1.00 34.51 C ATOM 1364 CG ASN A 85 -0.567 15.021 11.795 1.00 20.12 C ATOM 1365 OD1 ASN A 85 -1.416 15.601 11.126 1.00 54.02 O ATOM 1366 ND2 ASN A 85 -0.730 13.780 12.207 1.00 21.33 N ATOM 0 H ASN A 85 1.418 15.065 9.887 1.00 22.04 H new ATOM 0 HA ASN A 85 0.437 17.496 11.021 1.00 1.43 H new ATOM 0 HB2 ASN A 85 1.504 14.954 12.332 1.00 34.51 H new ATOM 0 HB3 ASN A 85 0.591 16.205 13.152 1.00 34.51 H new ATOM 0 HD21 ASN A 85 -1.582 13.272 11.971 1.00 21.33 H new ATOM 0 HD22 ASN A 85 -0.004 13.327 12.762 1.00 21.33 H new ATOM 1373 N GLN A 86 3.616 16.713 11.480 1.00 2.14 N ATOM 1374 CA GLN A 86 4.933 17.218 11.893 1.00 54.34 C ATOM 1375 C GLN A 86 5.587 18.079 10.797 1.00 62.21 C ATOM 1376 O GLN A 86 6.701 18.576 10.973 1.00 54.02 O ATOM 1377 CB GLN A 86 5.853 16.039 12.226 1.00 14.31 C ATOM 1378 CG GLN A 86 5.339 15.142 13.345 1.00 73.15 C ATOM 1379 CD GLN A 86 6.173 13.881 13.501 1.00 55.05 C ATOM 1380 OE1 GLN A 86 7.157 13.855 14.230 1.00 43.11 O ATOM 1381 NE2 GLN A 86 5.785 12.826 12.818 1.00 73.12 N ATOM 0 H GLN A 86 3.644 15.788 11.050 1.00 2.14 H new ATOM 0 HA GLN A 86 4.787 17.846 12.772 1.00 54.34 H new ATOM 0 HB2 GLN A 86 5.993 15.437 11.328 1.00 14.31 H new ATOM 0 HB3 GLN A 86 6.833 16.425 12.506 1.00 14.31 H new ATOM 0 HG2 GLN A 86 5.343 15.696 14.283 1.00 73.15 H new ATOM 0 HG3 GLN A 86 4.304 14.868 13.142 1.00 73.15 H new ATOM 0 HE21 GLN A 86 4.961 12.881 12.220 1.00 73.12 H new ATOM 0 HE22 GLN A 86 6.308 11.953 12.887 1.00 73.12 H new ATOM 1390 N ASN A 87 4.898 18.229 9.660 1.00 72.12 N ATOM 1391 CA ASN A 87 5.413 18.987 8.506 1.00 60.13 C ATOM 1392 C ASN A 87 6.733 18.391 7.965 1.00 71.15 C ATOM 1393 O ASN A 87 7.485 19.063 7.254 1.00 23.21 O ATOM 1394 CB ASN A 87 5.610 20.465 8.879 1.00 62.43 C ATOM 1395 CG ASN A 87 4.318 21.148 9.292 1.00 24.22 C ATOM 1396 OD1 ASN A 87 3.402 20.524 9.818 1.00 42.22 O ATOM 1397 ND2 ASN A 87 4.228 22.442 9.059 1.00 51.44 N ATOM 0 H ASN A 87 3.971 17.831 9.511 1.00 72.12 H new ATOM 0 HA ASN A 87 4.670 18.914 7.712 1.00 60.13 H new ATOM 0 HB2 ASN A 87 6.329 20.536 9.695 1.00 62.43 H new ATOM 0 HB3 ASN A 87 6.039 20.995 8.029 1.00 62.43 H new ATOM 0 HD21 ASN A 87 3.382 22.949 9.317 1.00 51.44 H new ATOM 0 HD22 ASN A 87 5.005 22.936 8.620 1.00 51.44 H new ATOM 1404 N LYS A 88 6.992 17.119 8.274 1.00 44.24 N ATOM 1405 CA LYS A 88 8.247 16.463 7.877 1.00 41.43 C ATOM 1406 C LYS A 88 8.285 16.137 6.376 1.00 61.20 C ATOM 1407 O LYS A 88 7.712 15.144 5.920 1.00 44.15 O ATOM 1408 CB LYS A 88 8.481 15.188 8.701 1.00 33.20 C ATOM 1409 CG LYS A 88 8.831 15.453 10.162 1.00 11.53 C ATOM 1410 CD LYS A 88 9.144 14.162 10.921 1.00 2.41 C ATOM 1411 CE LYS A 88 9.601 14.448 12.348 1.00 34.44 C ATOM 1412 NZ LYS A 88 9.943 13.203 13.086 1.00 20.54 N ATOM 0 H LYS A 88 6.353 16.520 8.797 1.00 44.24 H new ATOM 0 HA LYS A 88 9.050 17.171 8.080 1.00 41.43 H new ATOM 0 HB2 LYS A 88 7.584 14.570 8.659 1.00 33.20 H new ATOM 0 HB3 LYS A 88 9.286 14.614 8.243 1.00 33.20 H new ATOM 0 HG2 LYS A 88 9.691 16.121 10.213 1.00 11.53 H new ATOM 0 HG3 LYS A 88 8.000 15.966 10.646 1.00 11.53 H new ATOM 0 HD2 LYS A 88 8.258 13.527 10.942 1.00 2.41 H new ATOM 0 HD3 LYS A 88 9.920 13.608 10.394 1.00 2.41 H new ATOM 0 HE2 LYS A 88 10.470 15.106 12.325 1.00 34.44 H new ATOM 0 HE3 LYS A 88 8.813 14.980 12.881 1.00 34.44 H new ATOM 0 HZ1 LYS A 88 10.820 13.349 13.626 1.00 20.54 H new ATOM 0 HZ2 LYS A 88 9.170 12.963 13.739 1.00 20.54 H new ATOM 0 HZ3 LYS A 88 10.078 12.425 12.410 1.00 20.54 H new ATOM 1426 N GLN A 89 8.963 16.989 5.618 1.00 43.05 N ATOM 1427 CA GLN A 89 9.170 16.773 4.184 1.00 0.14 C ATOM 1428 C GLN A 89 10.299 15.759 3.925 1.00 14.03 C ATOM 1429 O GLN A 89 11.411 16.126 3.533 1.00 54.14 O ATOM 1430 CB GLN A 89 9.480 18.110 3.494 1.00 0.43 C ATOM 1431 CG GLN A 89 10.571 18.925 4.192 1.00 74.44 C ATOM 1432 CD GLN A 89 10.872 20.238 3.489 1.00 33.03 C ATOM 1433 OE1 GLN A 89 11.737 20.307 2.622 1.00 21.41 O ATOM 1434 NE2 GLN A 89 10.173 21.292 3.864 1.00 63.53 N ATOM 0 H GLN A 89 9.385 17.847 5.974 1.00 43.05 H new ATOM 0 HA GLN A 89 8.253 16.358 3.766 1.00 0.14 H new ATOM 0 HB2 GLN A 89 9.786 17.916 2.466 1.00 0.43 H new ATOM 0 HB3 GLN A 89 8.568 18.705 3.448 1.00 0.43 H new ATOM 0 HG2 GLN A 89 10.264 19.130 5.217 1.00 74.44 H new ATOM 0 HG3 GLN A 89 11.483 18.330 4.246 1.00 74.44 H new ATOM 0 HE21 GLN A 89 9.461 21.200 4.588 1.00 63.53 H new ATOM 0 HE22 GLN A 89 10.345 22.199 3.430 1.00 63.53 H new ATOM 1443 N ILE A 90 10.017 14.481 4.162 1.00 64.43 N ATOM 1444 CA ILE A 90 11.029 13.433 3.988 1.00 34.40 C ATOM 1445 C ILE A 90 11.213 13.054 2.509 1.00 21.15 C ATOM 1446 O ILE A 90 10.430 13.454 1.643 1.00 74.23 O ATOM 1447 CB ILE A 90 10.692 12.146 4.792 1.00 21.40 C ATOM 1448 CG1 ILE A 90 9.531 11.371 4.140 1.00 22.54 C ATOM 1449 CG2 ILE A 90 10.359 12.492 6.248 1.00 71.14 C ATOM 1450 CD1 ILE A 90 9.398 9.942 4.636 1.00 11.23 C ATOM 0 H ILE A 90 9.106 14.144 4.472 1.00 64.43 H new ATOM 0 HA ILE A 90 11.957 13.857 4.372 1.00 34.40 H new ATOM 0 HB ILE A 90 11.572 11.503 4.781 1.00 21.40 H new ATOM 0 HG12 ILE A 90 8.598 11.901 4.332 1.00 22.54 H new ATOM 0 HG13 ILE A 90 9.675 11.360 3.060 1.00 22.54 H new ATOM 0 HG21 ILE A 90 10.126 11.578 6.795 1.00 71.14 H new ATOM 0 HG22 ILE A 90 11.215 12.983 6.710 1.00 71.14 H new ATOM 0 HG23 ILE A 90 9.499 13.161 6.275 1.00 71.14 H new ATOM 0 HD11 ILE A 90 8.560 9.459 4.133 1.00 11.23 H new ATOM 0 HD12 ILE A 90 10.316 9.395 4.420 1.00 11.23 H new ATOM 0 HD13 ILE A 90 9.223 9.945 5.712 1.00 11.23 H new ATOM 1462 N SER A 91 12.252 12.277 2.232 1.00 1.25 N ATOM 1463 CA SER A 91 12.524 11.793 0.873 1.00 54.41 C ATOM 1464 C SER A 91 12.051 10.345 0.689 1.00 31.10 C ATOM 1465 O SER A 91 11.671 9.670 1.651 1.00 41.52 O ATOM 1466 CB SER A 91 14.024 11.865 0.578 1.00 52.22 C ATOM 1467 OG SER A 91 14.755 10.971 1.409 1.00 13.42 O ATOM 0 H SER A 91 12.927 11.964 2.930 1.00 1.25 H new ATOM 0 HA SER A 91 11.975 12.432 0.182 1.00 54.41 H new ATOM 0 HB2 SER A 91 14.204 11.621 -0.469 1.00 52.22 H new ATOM 0 HB3 SER A 91 14.380 12.884 0.734 1.00 52.22 H new ATOM 0 HG SER A 91 15.710 11.036 1.199 1.00 13.42 H new ATOM 1473 N MET A 92 12.089 9.866 -0.554 1.00 12.12 N ATOM 1474 CA MET A 92 11.761 8.469 -0.858 1.00 33.53 C ATOM 1475 C MET A 92 12.697 7.510 -0.104 1.00 1.13 C ATOM 1476 O MET A 92 12.291 6.423 0.315 1.00 24.00 O ATOM 1477 CB MET A 92 11.856 8.222 -2.372 1.00 33.21 C ATOM 1478 CG MET A 92 11.677 6.764 -2.781 1.00 25.14 C ATOM 1479 SD MET A 92 11.885 6.513 -4.555 1.00 30.32 S ATOM 1480 CE MET A 92 11.868 4.723 -4.643 1.00 42.03 C ATOM 0 H MET A 92 12.344 10.424 -1.369 1.00 12.12 H new ATOM 0 HA MET A 92 10.740 8.277 -0.530 1.00 33.53 H new ATOM 0 HB2 MET A 92 11.099 8.824 -2.875 1.00 33.21 H new ATOM 0 HB3 MET A 92 12.827 8.570 -2.725 1.00 33.21 H new ATOM 0 HG2 MET A 92 12.398 6.148 -2.243 1.00 25.14 H new ATOM 0 HG3 MET A 92 10.684 6.426 -2.484 1.00 25.14 H new ATOM 0 HE1 MET A 92 11.666 4.411 -5.668 1.00 42.03 H new ATOM 0 HE2 MET A 92 12.837 4.334 -4.330 1.00 42.03 H new ATOM 0 HE3 MET A 92 11.091 4.334 -3.985 1.00 42.03 H new ATOM 1490 N ALA A 93 13.948 7.928 0.070 1.00 35.45 N ATOM 1491 CA ALA A 93 14.934 7.139 0.812 1.00 4.33 C ATOM 1492 C ALA A 93 14.508 6.937 2.277 1.00 72.21 C ATOM 1493 O ALA A 93 14.590 5.830 2.811 1.00 32.33 O ATOM 1494 CB ALA A 93 16.297 7.815 0.741 1.00 54.31 C ATOM 0 H ALA A 93 14.306 8.811 -0.293 1.00 35.45 H new ATOM 0 HA ALA A 93 14.998 6.154 0.350 1.00 4.33 H new ATOM 0 HB1 ALA A 93 17.026 7.223 1.295 1.00 54.31 H new ATOM 0 HB2 ALA A 93 16.610 7.895 -0.300 1.00 54.31 H new ATOM 0 HB3 ALA A 93 16.232 8.812 1.177 1.00 54.31 H new ATOM 1500 N GLU A 94 14.040 8.009 2.916 1.00 1.32 N ATOM 1501 CA GLU A 94 13.573 7.938 4.305 1.00 41.04 C ATOM 1502 C GLU A 94 12.340 7.033 4.431 1.00 30.54 C ATOM 1503 O GLU A 94 12.156 6.353 5.441 1.00 25.11 O ATOM 1504 CB GLU A 94 13.271 9.346 4.834 1.00 20.21 C ATOM 1505 CG GLU A 94 14.514 10.228 4.928 1.00 13.51 C ATOM 1506 CD GLU A 94 14.208 11.664 5.319 1.00 40.42 C ATOM 1507 OE1 GLU A 94 13.947 11.928 6.514 1.00 74.43 O ATOM 1508 OE2 GLU A 94 14.248 12.545 4.432 1.00 71.33 O ATOM 0 H GLU A 94 13.973 8.937 2.497 1.00 1.32 H new ATOM 0 HA GLU A 94 14.367 7.500 4.910 1.00 41.04 H new ATOM 0 HB2 GLU A 94 12.541 9.825 4.181 1.00 20.21 H new ATOM 0 HB3 GLU A 94 12.813 9.267 5.820 1.00 20.21 H new ATOM 0 HG2 GLU A 94 15.200 9.799 5.658 1.00 13.51 H new ATOM 0 HG3 GLU A 94 15.027 10.223 3.967 1.00 13.51 H new ATOM 1515 N ALA A 95 11.500 7.024 3.396 1.00 54.35 N ATOM 1516 CA ALA A 95 10.372 6.093 3.331 1.00 41.13 C ATOM 1517 C ALA A 95 10.862 4.634 3.352 1.00 22.04 C ATOM 1518 O ALA A 95 10.328 3.795 4.078 1.00 4.23 O ATOM 1519 CB ALA A 95 9.536 6.365 2.086 1.00 14.14 C ATOM 0 H ALA A 95 11.578 7.648 2.593 1.00 54.35 H new ATOM 0 HA ALA A 95 9.746 6.248 4.210 1.00 41.13 H new ATOM 0 HB1 ALA A 95 8.700 5.666 2.049 1.00 14.14 H new ATOM 0 HB2 ALA A 95 9.154 7.385 2.120 1.00 14.14 H new ATOM 0 HB3 ALA A 95 10.155 6.238 1.198 1.00 14.14 H new ATOM 1525 N GLN A 96 11.895 4.346 2.554 1.00 1.34 N ATOM 1526 CA GLN A 96 12.541 3.025 2.551 1.00 32.33 C ATOM 1527 C GLN A 96 13.229 2.726 3.895 1.00 14.42 C ATOM 1528 O GLN A 96 13.412 1.565 4.265 1.00 12.43 O ATOM 1529 CB GLN A 96 13.565 2.941 1.407 1.00 61.22 C ATOM 1530 CG GLN A 96 12.942 2.706 0.036 1.00 55.13 C ATOM 1531 CD GLN A 96 12.382 1.298 -0.115 1.00 22.42 C ATOM 1532 OE1 GLN A 96 13.063 0.390 -0.578 1.00 53.10 O ATOM 1533 NE2 GLN A 96 11.146 1.101 0.294 1.00 71.42 N ATOM 0 H GLN A 96 12.305 5.011 1.898 1.00 1.34 H new ATOM 0 HA GLN A 96 11.764 2.276 2.400 1.00 32.33 H new ATOM 0 HB2 GLN A 96 14.141 3.866 1.380 1.00 61.22 H new ATOM 0 HB3 GLN A 96 14.267 2.134 1.619 1.00 61.22 H new ATOM 0 HG2 GLN A 96 12.144 3.431 -0.126 1.00 55.13 H new ATOM 0 HG3 GLN A 96 13.692 2.880 -0.735 1.00 55.13 H new ATOM 0 HE21 GLN A 96 10.605 1.877 0.675 1.00 71.42 H new ATOM 0 HE22 GLN A 96 10.730 0.172 0.230 1.00 71.42 H new ATOM 1542 N GLY A 97 13.625 3.776 4.608 1.00 12.43 N ATOM 1543 CA GLY A 97 14.212 3.612 5.933 1.00 64.35 C ATOM 1544 C GLY A 97 13.188 3.185 6.984 1.00 14.33 C ATOM 1545 O GLY A 97 13.543 2.593 8.005 1.00 54.22 O ATOM 0 H GLY A 97 13.551 4.743 4.293 1.00 12.43 H new ATOM 0 HA2 GLY A 97 15.007 2.868 5.884 1.00 64.35 H new ATOM 0 HA3 GLY A 97 14.672 4.551 6.241 1.00 64.35 H new ATOM 1549 N LYS A 98 11.915 3.489 6.732 1.00 64.33 N ATOM 1550 CA LYS A 98 10.831 3.137 7.658 1.00 74.35 C ATOM 1551 C LYS A 98 10.163 1.806 7.247 1.00 23.33 C ATOM 1552 O LYS A 98 9.857 0.962 8.093 1.00 74.41 O ATOM 1553 CB LYS A 98 9.786 4.272 7.696 1.00 11.01 C ATOM 1554 CG LYS A 98 9.178 4.533 9.079 1.00 13.54 C ATOM 1555 CD LYS A 98 8.466 3.308 9.651 1.00 30.31 C ATOM 1556 CE LYS A 98 7.869 3.584 11.028 1.00 32.32 C ATOM 1557 NZ LYS A 98 7.232 2.373 11.608 1.00 4.01 N ATOM 0 H LYS A 98 11.605 3.979 5.893 1.00 64.33 H new ATOM 0 HA LYS A 98 11.255 3.007 8.654 1.00 74.35 H new ATOM 0 HB2 LYS A 98 10.253 5.190 7.340 1.00 11.01 H new ATOM 0 HB3 LYS A 98 8.983 4.032 7.000 1.00 11.01 H new ATOM 0 HG2 LYS A 98 9.966 4.843 9.765 1.00 13.54 H new ATOM 0 HG3 LYS A 98 8.471 5.360 9.010 1.00 13.54 H new ATOM 0 HD2 LYS A 98 7.675 2.997 8.969 1.00 30.31 H new ATOM 0 HD3 LYS A 98 9.170 2.479 9.721 1.00 30.31 H new ATOM 0 HE2 LYS A 98 8.652 3.939 11.699 1.00 32.32 H new ATOM 0 HE3 LYS A 98 7.130 4.381 10.950 1.00 32.32 H new ATOM 0 HZ1 LYS A 98 6.839 2.602 12.543 1.00 4.01 H new ATOM 0 HZ2 LYS A 98 6.468 2.048 10.981 1.00 4.01 H new ATOM 0 HZ3 LYS A 98 7.943 1.620 11.706 1.00 4.01 H new ATOM 1571 N PHE A 99 9.922 1.636 5.946 1.00 63.34 N ATOM 1572 CA PHE A 99 9.318 0.402 5.416 1.00 61.10 C ATOM 1573 C PHE A 99 10.163 -0.181 4.266 1.00 42.23 C ATOM 1574 O PHE A 99 9.806 -0.055 3.092 1.00 1.40 O ATOM 1575 CB PHE A 99 7.883 0.670 4.933 1.00 10.23 C ATOM 1576 CG PHE A 99 6.978 1.240 5.998 1.00 13.22 C ATOM 1577 CD1 PHE A 99 6.400 0.413 6.953 1.00 45.42 C ATOM 1578 CD2 PHE A 99 6.708 2.603 6.047 1.00 74.22 C ATOM 1579 CE1 PHE A 99 5.572 0.932 7.930 1.00 1.13 C ATOM 1580 CE2 PHE A 99 5.880 3.124 7.023 1.00 14.14 C ATOM 1581 CZ PHE A 99 5.313 2.290 7.965 1.00 13.12 C ATOM 0 H PHE A 99 10.135 2.336 5.235 1.00 63.34 H new ATOM 0 HA PHE A 99 9.289 -0.329 6.224 1.00 61.10 H new ATOM 0 HB2 PHE A 99 7.916 1.360 4.090 1.00 10.23 H new ATOM 0 HB3 PHE A 99 7.454 -0.262 4.565 1.00 10.23 H new ATOM 0 HD1 PHE A 99 6.600 -0.648 6.932 1.00 45.42 H new ATOM 0 HD2 PHE A 99 7.150 3.262 5.314 1.00 74.22 H new ATOM 0 HE1 PHE A 99 5.128 0.278 8.665 1.00 1.13 H new ATOM 0 HE2 PHE A 99 5.677 4.184 7.049 1.00 14.14 H new ATOM 0 HZ PHE A 99 4.667 2.698 8.729 1.00 13.12 H new ATOM 1591 N PRO A 100 11.287 -0.850 4.592 1.00 32.41 N ATOM 1592 CA PRO A 100 12.236 -1.358 3.577 1.00 42.44 C ATOM 1593 C PRO A 100 11.666 -2.502 2.720 1.00 21.32 C ATOM 1594 O PRO A 100 12.105 -2.724 1.589 1.00 13.34 O ATOM 1595 CB PRO A 100 13.420 -1.851 4.422 1.00 11.14 C ATOM 1596 CG PRO A 100 12.825 -2.178 5.751 1.00 71.55 C ATOM 1597 CD PRO A 100 11.727 -1.170 5.967 1.00 13.03 C ATOM 0 HA PRO A 100 12.494 -0.587 2.851 1.00 42.44 H new ATOM 0 HB2 PRO A 100 13.891 -2.725 3.973 1.00 11.14 H new ATOM 0 HB3 PRO A 100 14.190 -1.085 4.510 1.00 11.14 H new ATOM 0 HG2 PRO A 100 12.431 -3.194 5.764 1.00 71.55 H new ATOM 0 HG3 PRO A 100 13.574 -2.116 6.541 1.00 71.55 H new ATOM 0 HD2 PRO A 100 10.914 -1.582 6.564 1.00 13.03 H new ATOM 0 HD3 PRO A 100 12.090 -0.285 6.490 1.00 13.03 H new ATOM 1605 N GLU A 101 10.691 -3.232 3.258 1.00 40.20 N ATOM 1606 CA GLU A 101 10.086 -4.359 2.537 1.00 72.21 C ATOM 1607 C GLU A 101 9.006 -3.897 1.545 1.00 22.24 C ATOM 1608 O GLU A 101 8.617 -4.644 0.647 1.00 41.10 O ATOM 1609 CB GLU A 101 9.495 -5.375 3.526 1.00 63.51 C ATOM 1610 CG GLU A 101 10.522 -5.959 4.492 1.00 3.01 C ATOM 1611 CD GLU A 101 9.957 -7.096 5.331 1.00 15.02 C ATOM 1612 OE1 GLU A 101 10.034 -8.263 4.888 1.00 22.45 O ATOM 1613 OE2 GLU A 101 9.425 -6.830 6.429 1.00 64.33 O ATOM 0 H GLU A 101 10.302 -3.067 4.186 1.00 40.20 H new ATOM 0 HA GLU A 101 10.879 -4.837 1.962 1.00 72.21 H new ATOM 0 HB2 GLU A 101 8.703 -4.893 4.099 1.00 63.51 H new ATOM 0 HB3 GLU A 101 9.033 -6.188 2.966 1.00 63.51 H new ATOM 0 HG2 GLU A 101 11.381 -6.321 3.927 1.00 3.01 H new ATOM 0 HG3 GLU A 101 10.884 -5.171 5.152 1.00 3.01 H new ATOM 1620 N VAL A 102 8.535 -2.662 1.703 1.00 34.54 N ATOM 1621 CA VAL A 102 7.510 -2.110 0.813 1.00 52.14 C ATOM 1622 C VAL A 102 8.155 -1.374 -0.373 1.00 23.51 C ATOM 1623 O VAL A 102 9.036 -0.532 -0.189 1.00 11.22 O ATOM 1624 CB VAL A 102 6.569 -1.141 1.570 1.00 30.03 C ATOM 1625 CG1 VAL A 102 5.498 -0.581 0.636 1.00 13.53 C ATOM 1626 CG2 VAL A 102 5.931 -1.835 2.773 1.00 33.22 C ATOM 0 H VAL A 102 8.844 -2.024 2.436 1.00 34.54 H new ATOM 0 HA VAL A 102 6.922 -2.948 0.439 1.00 52.14 H new ATOM 0 HB VAL A 102 7.167 -0.306 1.937 1.00 30.03 H new ATOM 0 HG11 VAL A 102 4.849 0.097 1.191 1.00 13.53 H new ATOM 0 HG12 VAL A 102 5.975 -0.039 -0.181 1.00 13.53 H new ATOM 0 HG13 VAL A 102 4.904 -1.400 0.230 1.00 13.53 H new ATOM 0 HG21 VAL A 102 5.274 -1.136 3.290 1.00 33.22 H new ATOM 0 HG22 VAL A 102 5.352 -2.693 2.433 1.00 33.22 H new ATOM 0 HG23 VAL A 102 6.712 -2.171 3.455 1.00 33.22 H new ATOM 1636 N VAL A 103 7.715 -1.688 -1.587 1.00 1.12 N ATOM 1637 CA VAL A 103 8.295 -1.091 -2.793 1.00 30.22 C ATOM 1638 C VAL A 103 7.707 0.304 -3.070 1.00 62.12 C ATOM 1639 O VAL A 103 6.588 0.438 -3.561 1.00 14.34 O ATOM 1640 CB VAL A 103 8.065 -2.005 -4.028 1.00 55.20 C ATOM 1641 CG1 VAL A 103 8.639 -1.376 -5.297 1.00 32.43 C ATOM 1642 CG2 VAL A 103 8.667 -3.390 -3.790 1.00 54.23 C ATOM 0 H VAL A 103 6.960 -2.351 -1.766 1.00 1.12 H new ATOM 0 HA VAL A 103 9.366 -0.988 -2.617 1.00 30.22 H new ATOM 0 HB VAL A 103 6.990 -2.115 -4.169 1.00 55.20 H new ATOM 0 HG11 VAL A 103 8.462 -2.039 -6.144 1.00 32.43 H new ATOM 0 HG12 VAL A 103 8.154 -0.417 -5.480 1.00 32.43 H new ATOM 0 HG13 VAL A 103 9.711 -1.222 -5.174 1.00 32.43 H new ATOM 0 HG21 VAL A 103 8.496 -4.016 -4.666 1.00 54.23 H new ATOM 0 HG22 VAL A 103 9.739 -3.296 -3.615 1.00 54.23 H new ATOM 0 HG23 VAL A 103 8.196 -3.847 -2.920 1.00 54.23 H new ATOM 1652 N PHE A 104 8.470 1.344 -2.748 1.00 21.25 N ATOM 1653 CA PHE A 104 8.055 2.722 -3.032 1.00 23.03 C ATOM 1654 C PHE A 104 8.477 3.140 -4.447 1.00 10.01 C ATOM 1655 O PHE A 104 9.462 2.638 -4.988 1.00 42.30 O ATOM 1656 CB PHE A 104 8.648 3.689 -1.994 1.00 3.51 C ATOM 1657 CG PHE A 104 8.038 3.561 -0.616 1.00 33.32 C ATOM 1658 CD1 PHE A 104 8.373 2.500 0.212 1.00 32.25 C ATOM 1659 CD2 PHE A 104 7.133 4.505 -0.150 1.00 45.41 C ATOM 1660 CE1 PHE A 104 7.822 2.386 1.476 1.00 41.31 C ATOM 1661 CE2 PHE A 104 6.579 4.393 1.113 1.00 44.12 C ATOM 1662 CZ PHE A 104 6.922 3.331 1.924 1.00 5.32 C ATOM 0 H PHE A 104 9.378 1.264 -2.291 1.00 21.25 H new ATOM 0 HA PHE A 104 6.968 2.766 -2.970 1.00 23.03 H new ATOM 0 HB2 PHE A 104 9.722 3.515 -1.922 1.00 3.51 H new ATOM 0 HB3 PHE A 104 8.513 4.712 -2.346 1.00 3.51 H new ATOM 0 HD1 PHE A 104 9.073 1.754 -0.134 1.00 32.25 H new ATOM 0 HD2 PHE A 104 6.858 5.337 -0.781 1.00 45.41 H new ATOM 0 HE1 PHE A 104 8.096 1.557 2.112 1.00 41.31 H new ATOM 0 HE2 PHE A 104 5.879 5.136 1.464 1.00 44.12 H new ATOM 0 HZ PHE A 104 6.487 3.239 2.908 1.00 5.32 H new ATOM 1672 N SER A 105 7.717 4.047 -5.053 1.00 23.53 N ATOM 1673 CA SER A 105 8.017 4.534 -6.408 1.00 31.52 C ATOM 1674 C SER A 105 7.676 6.020 -6.560 1.00 23.43 C ATOM 1675 O SER A 105 6.525 6.422 -6.390 1.00 63.34 O ATOM 1676 CB SER A 105 7.248 3.716 -7.457 1.00 4.43 C ATOM 1677 OG SER A 105 7.705 2.369 -7.502 1.00 22.31 O ATOM 0 H SER A 105 6.887 4.464 -4.632 1.00 23.53 H new ATOM 0 HA SER A 105 9.088 4.411 -6.569 1.00 31.52 H new ATOM 0 HB2 SER A 105 6.183 3.733 -7.225 1.00 4.43 H new ATOM 0 HB3 SER A 105 7.368 4.175 -8.438 1.00 4.43 H new ATOM 0 HG SER A 105 7.196 1.873 -8.177 1.00 22.31 H new ATOM 1683 N GLY A 106 8.687 6.831 -6.861 1.00 43.55 N ATOM 1684 CA GLY A 106 8.474 8.258 -7.090 1.00 70.13 C ATOM 1685 C GLY A 106 9.052 8.728 -8.422 1.00 22.44 C ATOM 1686 O GLY A 106 10.211 8.450 -8.730 1.00 32.24 O ATOM 0 H GLY A 106 9.656 6.527 -6.952 1.00 43.55 H new ATOM 0 HA2 GLY A 106 7.405 8.471 -7.066 1.00 70.13 H new ATOM 0 HA3 GLY A 106 8.931 8.825 -6.279 1.00 70.13 H new ATOM 1690 N SER A 107 8.247 9.428 -9.224 1.00 60.30 N ATOM 1691 CA SER A 107 8.724 9.984 -10.504 1.00 71.45 C ATOM 1692 C SER A 107 7.806 11.112 -11.011 1.00 72.41 C ATOM 1693 O SER A 107 7.954 12.265 -10.597 1.00 52.20 O ATOM 1694 CB SER A 107 8.863 8.880 -11.570 1.00 43.40 C ATOM 1695 OG SER A 107 7.627 8.222 -11.807 1.00 4.50 O ATOM 0 H SER A 107 7.268 9.625 -9.017 1.00 60.30 H new ATOM 0 HA SER A 107 9.709 10.413 -10.322 1.00 71.45 H new ATOM 0 HB2 SER A 107 9.228 9.316 -12.500 1.00 43.40 H new ATOM 0 HB3 SER A 107 9.607 8.152 -11.246 1.00 43.40 H new ATOM 0 HG SER A 107 7.751 7.529 -12.489 1.00 4.50 H new ATOM 1701 N ASN A 108 6.854 10.774 -11.891 1.00 11.33 N ATOM 1702 CA ASN A 108 5.924 11.754 -12.480 1.00 53.22 C ATOM 1703 C ASN A 108 5.083 11.105 -13.595 1.00 53.55 C ATOM 1704 O ASN A 108 5.556 10.212 -14.303 1.00 3.54 O ATOM 1705 CB ASN A 108 6.691 12.958 -13.058 1.00 60.44 C ATOM 1706 CG ASN A 108 5.780 14.078 -13.545 1.00 52.22 C ATOM 1707 OD1 ASN A 108 6.060 14.723 -14.548 1.00 44.52 O ATOM 1708 ND2 ASN A 108 4.708 14.343 -12.824 1.00 11.03 N ATOM 0 H ASN A 108 6.705 9.818 -12.215 1.00 11.33 H new ATOM 0 HA ASN A 108 5.262 12.100 -11.686 1.00 53.22 H new ATOM 0 HB2 ASN A 108 7.363 13.352 -12.295 1.00 60.44 H new ATOM 0 HB3 ASN A 108 7.313 12.619 -13.887 1.00 60.44 H new ATOM 0 HD21 ASN A 108 4.085 15.103 -13.097 1.00 11.03 H new ATOM 0 HD22 ASN A 108 4.502 13.788 -11.994 1.00 11.03 H new ATOM 1715 N LEU A 109 3.841 11.558 -13.751 1.00 73.24 N ATOM 1716 CA LEU A 109 2.955 11.045 -14.805 1.00 55.25 C ATOM 1717 C LEU A 109 3.187 11.795 -16.128 1.00 34.45 C ATOM 1718 O LEU A 109 3.343 13.018 -16.138 1.00 62.44 O ATOM 1719 CB LEU A 109 1.477 11.162 -14.384 1.00 45.13 C ATOM 1720 CG LEU A 109 1.045 10.283 -13.190 1.00 74.02 C ATOM 1721 CD1 LEU A 109 1.696 10.751 -11.887 1.00 32.33 C ATOM 1722 CD2 LEU A 109 -0.477 10.268 -13.056 1.00 33.02 C ATOM 0 H LEU A 109 3.421 12.279 -13.164 1.00 73.24 H new ATOM 0 HA LEU A 109 3.192 9.992 -14.956 1.00 55.25 H new ATOM 0 HB2 LEU A 109 1.271 12.203 -14.137 1.00 45.13 H new ATOM 0 HB3 LEU A 109 0.854 10.908 -15.241 1.00 45.13 H new ATOM 0 HG LEU A 109 1.387 9.267 -13.385 1.00 74.02 H new ATOM 0 HD11 LEU A 109 1.370 10.111 -11.067 1.00 32.33 H new ATOM 0 HD12 LEU A 109 2.780 10.696 -11.982 1.00 32.33 H new ATOM 0 HD13 LEU A 109 1.402 11.780 -11.682 1.00 32.33 H new ATOM 0 HD21 LEU A 109 -0.762 9.643 -12.209 1.00 33.02 H new ATOM 0 HD22 LEU A 109 -0.838 11.284 -12.895 1.00 33.02 H new ATOM 0 HD23 LEU A 109 -0.919 9.866 -13.968 1.00 33.02 H new ATOM 1734 N GLU A 110 3.201 11.059 -17.241 1.00 71.00 N ATOM 1735 CA GLU A 110 3.467 11.648 -18.563 1.00 13.31 C ATOM 1736 C GLU A 110 2.342 12.597 -19.018 1.00 42.14 C ATOM 1737 O GLU A 110 1.210 12.530 -18.530 1.00 71.12 O ATOM 1738 CB GLU A 110 3.672 10.538 -19.606 1.00 13.41 C ATOM 1739 CG GLU A 110 4.881 9.650 -19.323 1.00 75.04 C ATOM 1740 CD GLU A 110 5.082 8.573 -20.378 1.00 71.43 C ATOM 1741 OE1 GLU A 110 5.549 8.902 -21.490 1.00 40.24 O ATOM 1742 OE2 GLU A 110 4.778 7.390 -20.101 1.00 22.15 O ATOM 0 H GLU A 110 3.032 10.053 -17.257 1.00 71.00 H new ATOM 0 HA GLU A 110 4.377 12.241 -18.474 1.00 13.31 H new ATOM 0 HB2 GLU A 110 2.777 9.917 -19.645 1.00 13.41 H new ATOM 0 HB3 GLU A 110 3.788 10.992 -20.590 1.00 13.41 H new ATOM 0 HG2 GLU A 110 5.776 10.270 -19.268 1.00 75.04 H new ATOM 0 HG3 GLU A 110 4.759 9.179 -18.348 1.00 75.04 H new ATOM 1749 N HIS A 111 2.665 13.473 -19.967 1.00 61.24 N ATOM 1750 CA HIS A 111 1.716 14.471 -20.477 1.00 61.23 C ATOM 1751 C HIS A 111 0.797 13.857 -21.553 1.00 0.31 C ATOM 1752 O HIS A 111 0.763 14.309 -22.699 1.00 52.25 O ATOM 1753 CB HIS A 111 2.498 15.670 -21.046 1.00 24.44 C ATOM 1754 CG HIS A 111 1.648 16.837 -21.446 1.00 12.10 C ATOM 1755 ND1 HIS A 111 1.067 16.956 -22.689 1.00 11.11 N ATOM 1756 CD2 HIS A 111 1.294 17.952 -20.766 1.00 14.14 C ATOM 1757 CE1 HIS A 111 0.400 18.087 -22.757 1.00 45.14 C ATOM 1758 NE2 HIS A 111 0.519 18.713 -21.605 1.00 20.41 N ATOM 0 H HIS A 111 3.585 13.515 -20.405 1.00 61.24 H new ATOM 0 HA HIS A 111 1.081 14.811 -19.659 1.00 61.23 H new ATOM 0 HB2 HIS A 111 3.220 16.002 -20.301 1.00 24.44 H new ATOM 0 HB3 HIS A 111 3.066 15.337 -21.914 1.00 24.44 H new ATOM 0 HD1 HIS A 111 1.143 16.272 -23.442 1.00 11.11 H new ATOM 0 HD2 HIS A 111 1.570 18.198 -19.751 1.00 14.14 H new ATOM 0 HE1 HIS A 111 -0.153 18.443 -23.614 1.00 45.14 H new ATOM 1767 N HIS A 112 0.050 12.821 -21.178 1.00 53.24 N ATOM 1768 CA HIS A 112 -0.825 12.125 -22.126 1.00 23.43 C ATOM 1769 C HIS A 112 -2.160 12.866 -22.316 1.00 4.44 C ATOM 1770 O HIS A 112 -2.465 13.325 -23.413 1.00 15.25 O ATOM 1771 CB HIS A 112 -1.078 10.684 -21.666 1.00 22.13 C ATOM 1772 CG HIS A 112 -1.816 9.853 -22.676 1.00 20.33 C ATOM 1773 ND1 HIS A 112 -1.180 9.133 -23.666 1.00 54.54 N ATOM 1774 CD2 HIS A 112 -3.140 9.630 -22.851 1.00 21.20 C ATOM 1775 CE1 HIS A 112 -2.078 8.510 -24.400 1.00 33.23 C ATOM 1776 NE2 HIS A 112 -3.271 8.792 -23.928 1.00 33.51 N ATOM 0 H HIS A 112 0.031 12.444 -20.230 1.00 53.24 H new ATOM 0 HA HIS A 112 -0.315 12.105 -23.089 1.00 23.43 H new ATOM 0 HB2 HIS A 112 -0.122 10.209 -21.445 1.00 22.13 H new ATOM 0 HB3 HIS A 112 -1.647 10.702 -20.737 1.00 22.13 H new ATOM 0 HD2 HIS A 112 -3.943 10.036 -22.254 1.00 21.20 H new ATOM 0 HE1 HIS A 112 -1.869 7.874 -25.248 1.00 33.23 H new ATOM 0 HE2 HIS A 112 -4.153 8.443 -24.303 1.00 33.51 H new ATOM 1785 N HIS A 113 -2.957 12.975 -21.253 1.00 71.42 N ATOM 1786 CA HIS A 113 -4.266 13.641 -21.339 1.00 70.34 C ATOM 1787 C HIS A 113 -4.482 14.616 -20.170 1.00 54.40 C ATOM 1788 O HIS A 113 -4.225 14.276 -19.015 1.00 41.54 O ATOM 1789 CB HIS A 113 -5.387 12.590 -21.362 1.00 53.40 C ATOM 1790 CG HIS A 113 -6.764 13.171 -21.519 1.00 1.12 C ATOM 1791 ND1 HIS A 113 -7.705 13.177 -20.512 1.00 63.33 N ATOM 1792 CD2 HIS A 113 -7.358 13.763 -22.582 1.00 61.10 C ATOM 1793 CE1 HIS A 113 -8.812 13.744 -20.947 1.00 23.14 C ATOM 1794 NE2 HIS A 113 -8.629 14.110 -22.199 1.00 32.25 N ATOM 0 H HIS A 113 -2.726 12.615 -20.327 1.00 71.42 H new ATOM 0 HA HIS A 113 -4.289 14.219 -22.263 1.00 70.34 H new ATOM 0 HB2 HIS A 113 -5.202 11.894 -22.180 1.00 53.40 H new ATOM 0 HB3 HIS A 113 -5.350 12.013 -20.438 1.00 53.40 H new ATOM 0 HD2 HIS A 113 -6.914 13.931 -23.552 1.00 61.10 H new ATOM 0 HE1 HIS A 113 -9.716 13.885 -20.374 1.00 23.14 H new ATOM 0 HE2 HIS A 113 -9.320 14.576 -22.788 1.00 32.25 H new ATOM 1803 N HIS A 114 -4.956 15.826 -20.477 1.00 20.43 N ATOM 1804 CA HIS A 114 -5.286 16.809 -19.436 1.00 73.50 C ATOM 1805 C HIS A 114 -6.419 16.294 -18.535 1.00 34.02 C ATOM 1806 O HIS A 114 -7.361 15.657 -19.007 1.00 32.23 O ATOM 1807 CB HIS A 114 -5.662 18.167 -20.055 1.00 53.14 C ATOM 1808 CG HIS A 114 -6.803 18.119 -21.032 1.00 72.02 C ATOM 1809 ND1 HIS A 114 -6.636 18.299 -22.387 1.00 52.33 N ATOM 1810 CD2 HIS A 114 -8.135 17.932 -20.847 1.00 5.22 C ATOM 1811 CE1 HIS A 114 -7.803 18.225 -22.990 1.00 72.42 C ATOM 1812 NE2 HIS A 114 -8.728 18.003 -22.082 1.00 33.15 N ATOM 0 H HIS A 114 -5.120 16.149 -21.430 1.00 20.43 H new ATOM 0 HA HIS A 114 -4.398 16.952 -18.821 1.00 73.50 H new ATOM 0 HB2 HIS A 114 -5.918 18.858 -19.252 1.00 53.14 H new ATOM 0 HB3 HIS A 114 -4.787 18.575 -20.560 1.00 53.14 H new ATOM 0 HD2 HIS A 114 -8.634 17.760 -19.905 1.00 5.22 H new ATOM 0 HE1 HIS A 114 -7.973 18.329 -24.052 1.00 72.42 H new ATOM 0 HE2 HIS A 114 -9.726 17.900 -22.266 1.00 33.15 H new ATOM 1821 N HIS A 115 -6.323 16.575 -17.242 1.00 63.13 N ATOM 1822 CA HIS A 115 -7.266 16.032 -16.261 1.00 64.25 C ATOM 1823 C HIS A 115 -8.291 17.086 -15.807 1.00 20.21 C ATOM 1824 O HIS A 115 -7.933 18.123 -15.247 1.00 35.34 O ATOM 1825 CB HIS A 115 -6.485 15.470 -15.067 1.00 0.13 C ATOM 1826 CG HIS A 115 -5.397 14.526 -15.487 1.00 35.10 C ATOM 1827 ND1 HIS A 115 -4.067 14.736 -15.203 1.00 22.22 N ATOM 1828 CD2 HIS A 115 -5.446 13.372 -16.198 1.00 44.21 C ATOM 1829 CE1 HIS A 115 -3.347 13.760 -15.718 1.00 43.21 C ATOM 1830 NE2 HIS A 115 -4.155 12.917 -16.329 1.00 65.23 N ATOM 0 H HIS A 115 -5.602 17.176 -16.843 1.00 63.13 H new ATOM 0 HA HIS A 115 -7.833 15.229 -16.732 1.00 64.25 H new ATOM 0 HB2 HIS A 115 -6.049 16.294 -14.502 1.00 0.13 H new ATOM 0 HB3 HIS A 115 -7.173 14.953 -14.398 1.00 0.13 H new ATOM 0 HD2 HIS A 115 -6.334 12.898 -16.589 1.00 44.21 H new ATOM 0 HE1 HIS A 115 -2.273 13.666 -15.651 1.00 43.21 H new ATOM 0 HE2 HIS A 115 -3.870 12.068 -16.818 1.00 65.23 H new ATOM 1839 N HIS A 116 -9.566 16.807 -16.071 1.00 60.44 N ATOM 1840 CA HIS A 116 -10.668 17.712 -15.717 1.00 50.44 C ATOM 1841 C HIS A 116 -11.060 17.573 -14.226 1.00 71.20 C ATOM 1842 O HIS A 116 -10.717 18.470 -13.423 1.00 36.87 O ATOM 1843 CB HIS A 116 -11.876 17.414 -16.623 1.00 73.23 C ATOM 1844 CG HIS A 116 -13.043 18.338 -16.436 1.00 71.15 C ATOM 1845 ND1 HIS A 116 -14.002 18.145 -15.471 1.00 74.14 N ATOM 1846 CD2 HIS A 116 -13.418 19.453 -17.111 1.00 5.42 C ATOM 1847 CE1 HIS A 116 -14.913 19.090 -15.556 1.00 13.31 C ATOM 1848 NE2 HIS A 116 -14.586 19.899 -16.541 1.00 53.13 N ATOM 1849 OXT HIS A 116 -11.706 16.560 -13.864 1.00 36.87 O ATOM 0 H HIS A 116 -9.868 15.950 -16.535 1.00 60.44 H new ATOM 0 HA HIS A 116 -10.339 18.740 -15.870 1.00 50.44 H new ATOM 0 HB2 HIS A 116 -11.554 17.464 -17.663 1.00 73.23 H new ATOM 0 HB3 HIS A 116 -12.207 16.392 -16.440 1.00 73.23 H new ATOM 0 HD2 HIS A 116 -12.896 19.906 -17.941 1.00 5.42 H new ATOM 0 HE1 HIS A 116 -15.783 19.186 -14.924 1.00 13.31 H new ATOM 0 HE2 HIS A 116 -15.113 20.722 -16.833 1.00 53.13 H new TER 1858 HIS A 116