USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 686 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 36 HIS : no HE2:sc= 1.05 K(o=2.2,f=-6.3!) USER MOD Set 1.2: A 40 LYS NZ :NH3+ 179:sc= 1.14 (180deg=-0.0601) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.149 USER MOD Single : A 8 ASN : amide:sc= 0.407 X(o=0.41,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.0374 X(o=-0.037,f=-0.41) USER MOD Single : A 12 SER OG : rot 73:sc= 0.517 USER MOD Single : A 13 TYR OH : rot 31:sc= -0.292 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= 2.3 (180deg=2.2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -57:sc= 0.373 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 30:sc= -0.1 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.14) USER MOD Single : A 44 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 45 THR OG1 : rot -30:sc= 0.787 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -138:sc= -3.34! (180deg=-6.99!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 62:sc= 1.27 USER MOD Single : A 64 ASN : amide:sc= 0.35 X(o=0.35,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.019) USER MOD Single : A 74 SER OG : rot 81:sc= 1.31 USER MOD Single : A 78 GLN : amide:sc= -0.0306 K(o=-0.031,f=-2.5!) USER MOD Single : A 84 LYS NZ :NH3+ 161:sc= 1.14 (180deg=0.796) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 12.410 -9.218 10.075 1.00 41.21 N ATOM 2 CA GLU A 1 13.440 -8.731 9.190 1.00 14.02 C ATOM 3 C GLU A 1 14.291 -9.902 8.717 1.00 4.13 C ATOM 4 O GLU A 1 14.853 -10.633 9.530 1.00 71.33 O ATOM 5 CB GLU A 1 14.300 -7.717 9.924 1.00 75.13 C ATOM 6 CG GLU A 1 15.365 -7.061 9.076 1.00 2.15 C ATOM 7 CD GLU A 1 16.198 -6.109 9.878 1.00 50.12 C ATOM 8 OE1 GLU A 1 17.193 -6.543 10.478 1.00 33.02 O ATOM 9 OE2 GLU A 1 15.868 -4.910 9.934 1.00 15.33 O ATOM 0 H1 GLU A 1 11.826 -8.421 10.400 1.00 41.21 H new ATOM 0 H2 GLU A 1 11.812 -9.901 9.568 1.00 41.21 H new ATOM 0 H3 GLU A 1 12.849 -9.683 10.895 1.00 41.21 H new ATOM 0 HA GLU A 1 12.987 -8.248 8.324 1.00 14.02 H new ATOM 0 HB2 GLU A 1 13.653 -6.942 10.335 1.00 75.13 H new ATOM 0 HB3 GLU A 1 14.780 -8.212 10.768 1.00 75.13 H new ATOM 0 HG2 GLU A 1 16.006 -7.827 8.639 1.00 2.15 H new ATOM 0 HG3 GLU A 1 14.896 -6.528 8.249 1.00 2.15 H new ATOM 16 N SER A 2 14.352 -10.091 7.438 1.00 74.44 N ATOM 17 CA SER A 2 15.110 -11.151 6.865 1.00 11.52 C ATOM 18 C SER A 2 15.591 -10.661 5.498 1.00 75.32 C ATOM 19 O SER A 2 15.280 -9.511 5.112 1.00 32.42 O ATOM 20 CB SER A 2 14.196 -12.385 6.744 1.00 73.22 C ATOM 21 OG SER A 2 14.924 -13.580 6.506 1.00 35.52 O ATOM 0 H SER A 2 13.870 -9.505 6.756 1.00 74.44 H new ATOM 0 HA SER A 2 15.972 -11.431 7.470 1.00 11.52 H new ATOM 0 HB2 SER A 2 13.615 -12.494 7.660 1.00 73.22 H new ATOM 0 HB3 SER A 2 13.485 -12.229 5.932 1.00 73.22 H new ATOM 0 HG SER A 2 14.302 -14.334 6.439 1.00 35.52 H new ATOM 27 N ASP A 3 16.352 -11.466 4.774 1.00 24.34 N ATOM 28 CA ASP A 3 16.788 -11.057 3.446 1.00 55.52 C ATOM 29 C ASP A 3 15.707 -11.226 2.445 1.00 34.43 C ATOM 30 O ASP A 3 15.496 -12.300 1.878 1.00 33.21 O ATOM 31 CB ASP A 3 18.074 -11.696 2.951 1.00 32.14 C ATOM 32 CG ASP A 3 19.315 -10.981 3.413 1.00 63.43 C ATOM 33 OD1 ASP A 3 19.744 -10.009 2.741 1.00 10.32 O ATOM 34 OD2 ASP A 3 19.897 -11.375 4.439 1.00 50.23 O ATOM 0 H ASP A 3 16.675 -12.386 5.073 1.00 24.34 H new ATOM 0 HA ASP A 3 17.024 -9.999 3.561 1.00 55.52 H new ATOM 0 HB2 ASP A 3 18.112 -12.730 3.293 1.00 32.14 H new ATOM 0 HB3 ASP A 3 18.062 -11.720 1.861 1.00 32.14 H new ATOM 39 N SER A 4 15.014 -10.186 2.271 1.00 14.41 N ATOM 40 CA SER A 4 13.955 -10.084 1.363 1.00 65.51 C ATOM 41 C SER A 4 14.222 -8.839 0.553 1.00 34.32 C ATOM 42 O SER A 4 13.992 -7.721 0.999 1.00 13.31 O ATOM 43 CB SER A 4 12.629 -10.056 2.128 1.00 4.31 C ATOM 44 OG SER A 4 11.535 -10.128 1.244 1.00 43.23 O ATOM 0 H SER A 4 15.179 -9.324 2.791 1.00 14.41 H new ATOM 0 HA SER A 4 13.880 -10.935 0.687 1.00 65.51 H new ATOM 0 HB2 SER A 4 12.591 -10.891 2.828 1.00 4.31 H new ATOM 0 HB3 SER A 4 12.565 -9.142 2.718 1.00 4.31 H new ATOM 0 HG SER A 4 10.699 -10.110 1.756 1.00 43.23 H new ATOM 50 N VAL A 5 14.797 -9.048 -0.612 1.00 54.03 N ATOM 51 CA VAL A 5 15.303 -7.984 -1.448 1.00 3.11 C ATOM 52 C VAL A 5 14.190 -7.097 -1.967 1.00 35.13 C ATOM 53 O VAL A 5 14.287 -5.865 -1.908 1.00 23.54 O ATOM 54 CB VAL A 5 16.114 -8.558 -2.621 1.00 73.00 C ATOM 55 CG1 VAL A 5 16.748 -7.446 -3.423 1.00 60.34 C ATOM 56 CG2 VAL A 5 17.168 -9.523 -2.108 1.00 61.22 C ATOM 0 H VAL A 5 14.927 -9.978 -1.010 1.00 54.03 H new ATOM 0 HA VAL A 5 15.957 -7.369 -0.830 1.00 3.11 H new ATOM 0 HB VAL A 5 15.438 -9.105 -3.278 1.00 73.00 H new ATOM 0 HG11 VAL A 5 17.318 -7.872 -4.249 1.00 60.34 H new ATOM 0 HG12 VAL A 5 15.970 -6.793 -3.818 1.00 60.34 H new ATOM 0 HG13 VAL A 5 17.415 -6.869 -2.782 1.00 60.34 H new ATOM 0 HG21 VAL A 5 17.735 -9.923 -2.949 1.00 61.22 H new ATOM 0 HG22 VAL A 5 17.843 -8.999 -1.431 1.00 61.22 H new ATOM 0 HG23 VAL A 5 16.684 -10.341 -1.576 1.00 61.22 H new ATOM 66 N GLU A 6 13.126 -7.711 -2.427 1.00 65.51 N ATOM 67 CA GLU A 6 11.980 -6.983 -2.956 1.00 42.32 C ATOM 68 C GLU A 6 11.289 -6.232 -1.825 1.00 61.43 C ATOM 69 O GLU A 6 10.747 -5.153 -2.012 1.00 21.00 O ATOM 70 CB GLU A 6 11.046 -7.958 -3.646 1.00 3.40 C ATOM 71 CG GLU A 6 11.742 -8.704 -4.770 1.00 33.21 C ATOM 72 CD GLU A 6 10.942 -9.842 -5.317 1.00 52.11 C ATOM 73 OE1 GLU A 6 10.962 -10.933 -4.707 1.00 32.35 O ATOM 74 OE2 GLU A 6 10.312 -9.688 -6.384 1.00 34.33 O ATOM 0 H GLU A 6 13.023 -8.726 -2.449 1.00 65.51 H new ATOM 0 HA GLU A 6 12.301 -6.247 -3.693 1.00 42.32 H new ATOM 0 HB2 GLU A 6 10.663 -8.673 -2.917 1.00 3.40 H new ATOM 0 HB3 GLU A 6 10.187 -7.418 -4.045 1.00 3.40 H new ATOM 0 HG2 GLU A 6 11.963 -8.005 -5.577 1.00 33.21 H new ATOM 0 HG3 GLU A 6 12.697 -9.084 -4.407 1.00 33.21 H new ATOM 81 N PHE A 7 11.399 -6.785 -0.638 1.00 31.35 N ATOM 82 CA PHE A 7 10.882 -6.184 0.561 1.00 32.33 C ATOM 83 C PHE A 7 11.752 -4.995 0.950 1.00 74.15 C ATOM 84 O PHE A 7 11.258 -3.981 1.390 1.00 40.11 O ATOM 85 CB PHE A 7 10.856 -7.233 1.653 1.00 2.11 C ATOM 86 CG PHE A 7 10.488 -6.752 3.018 1.00 13.34 C ATOM 87 CD1 PHE A 7 9.180 -6.450 3.329 1.00 5.21 C ATOM 88 CD2 PHE A 7 11.454 -6.628 3.996 1.00 71.35 C ATOM 89 CE1 PHE A 7 8.833 -6.027 4.596 1.00 22.23 C ATOM 90 CE2 PHE A 7 11.122 -6.203 5.267 1.00 54.33 C ATOM 91 CZ PHE A 7 9.806 -5.902 5.569 1.00 33.22 C ATOM 0 H PHE A 7 11.860 -7.681 -0.481 1.00 31.35 H new ATOM 0 HA PHE A 7 9.868 -5.817 0.403 1.00 32.33 H new ATOM 0 HB2 PHE A 7 10.152 -8.013 1.363 1.00 2.11 H new ATOM 0 HB3 PHE A 7 11.841 -7.697 1.707 1.00 2.11 H new ATOM 0 HD1 PHE A 7 8.416 -6.546 2.571 1.00 5.21 H new ATOM 0 HD2 PHE A 7 12.482 -6.866 3.764 1.00 71.35 H new ATOM 0 HE1 PHE A 7 7.804 -5.794 4.826 1.00 22.23 H new ATOM 0 HE2 PHE A 7 11.887 -6.106 6.023 1.00 54.33 H new ATOM 0 HZ PHE A 7 9.540 -5.570 6.562 1.00 33.22 H new ATOM 101 N ASN A 8 13.040 -5.116 0.736 1.00 71.13 N ATOM 102 CA ASN A 8 13.964 -4.048 1.002 1.00 22.34 C ATOM 103 C ASN A 8 13.689 -2.891 0.041 1.00 31.41 C ATOM 104 O ASN A 8 13.759 -1.721 0.423 1.00 4.32 O ATOM 105 CB ASN A 8 15.401 -4.586 0.893 1.00 31.13 C ATOM 106 CG ASN A 8 16.334 -3.669 0.158 1.00 71.15 C ATOM 107 OD1 ASN A 8 16.969 -2.786 0.739 1.00 41.45 O ATOM 108 ND2 ASN A 8 16.424 -3.875 -1.125 1.00 54.52 N ATOM 0 H ASN A 8 13.475 -5.963 0.371 1.00 71.13 H new ATOM 0 HA ASN A 8 13.837 -3.663 2.014 1.00 22.34 H new ATOM 0 HB2 ASN A 8 15.792 -4.760 1.896 1.00 31.13 H new ATOM 0 HB3 ASN A 8 15.381 -5.551 0.387 1.00 31.13 H new ATOM 0 HD21 ASN A 8 17.040 -3.293 -1.693 1.00 54.52 H new ATOM 0 HD22 ASN A 8 15.879 -4.618 -1.562 1.00 54.52 H new ATOM 115 N ASN A 9 13.316 -3.235 -1.195 1.00 44.22 N ATOM 116 CA ASN A 9 12.936 -2.236 -2.194 1.00 4.01 C ATOM 117 C ASN A 9 11.656 -1.563 -1.744 1.00 53.41 C ATOM 118 O ASN A 9 11.447 -0.372 -1.972 1.00 13.44 O ATOM 119 CB ASN A 9 12.715 -2.857 -3.591 1.00 5.23 C ATOM 120 CG ASN A 9 13.954 -3.496 -4.207 1.00 55.44 C ATOM 121 OD1 ASN A 9 15.091 -3.098 -3.935 1.00 3.22 O ATOM 122 ND2 ASN A 9 13.745 -4.480 -5.050 1.00 73.23 N ATOM 0 H ASN A 9 13.270 -4.199 -1.526 1.00 44.22 H new ATOM 0 HA ASN A 9 13.752 -1.518 -2.279 1.00 4.01 H new ATOM 0 HB2 ASN A 9 11.932 -3.611 -3.518 1.00 5.23 H new ATOM 0 HB3 ASN A 9 12.350 -2.082 -4.265 1.00 5.23 H new ATOM 0 HD21 ASN A 9 14.535 -4.940 -5.502 1.00 73.23 H new ATOM 0 HD22 ASN A 9 12.793 -4.784 -5.253 1.00 73.23 H new ATOM 129 N ALA A 10 10.812 -2.332 -1.077 1.00 63.45 N ATOM 130 CA ALA A 10 9.570 -1.832 -0.540 1.00 3.44 C ATOM 131 C ALA A 10 9.825 -0.869 0.590 1.00 31.02 C ATOM 132 O ALA A 10 9.172 0.139 0.680 1.00 23.35 O ATOM 133 CB ALA A 10 8.662 -2.966 -0.111 1.00 32.54 C ATOM 0 H ALA A 10 10.975 -3.322 -0.895 1.00 63.45 H new ATOM 0 HA ALA A 10 9.055 -1.287 -1.331 1.00 3.44 H new ATOM 0 HB1 ALA A 10 7.734 -2.558 0.289 1.00 32.54 H new ATOM 0 HB2 ALA A 10 8.439 -3.599 -0.970 1.00 32.54 H new ATOM 0 HB3 ALA A 10 9.159 -3.559 0.657 1.00 32.54 H new ATOM 139 N ILE A 11 10.766 -1.183 1.459 1.00 12.04 N ATOM 140 CA ILE A 11 11.167 -0.273 2.496 1.00 34.43 C ATOM 141 C ILE A 11 11.742 1.012 1.910 1.00 73.43 C ATOM 142 O ILE A 11 11.449 2.082 2.397 1.00 30.12 O ATOM 143 CB ILE A 11 12.141 -0.942 3.499 1.00 31.24 C ATOM 144 CG1 ILE A 11 11.385 -1.809 4.523 1.00 10.55 C ATOM 145 CG2 ILE A 11 12.978 0.108 4.232 1.00 32.02 C ATOM 146 CD1 ILE A 11 10.327 -2.750 3.991 1.00 2.40 C ATOM 0 H ILE A 11 11.267 -2.072 1.461 1.00 12.04 H new ATOM 0 HA ILE A 11 10.275 0.000 3.060 1.00 34.43 H new ATOM 0 HB ILE A 11 12.805 -1.586 2.922 1.00 31.24 H new ATOM 0 HG12 ILE A 11 12.119 -2.401 5.070 1.00 10.55 H new ATOM 0 HG13 ILE A 11 10.912 -1.143 5.244 1.00 10.55 H new ATOM 0 HG21 ILE A 11 13.653 -0.387 4.930 1.00 32.02 H new ATOM 0 HG22 ILE A 11 13.559 0.680 3.509 1.00 32.02 H new ATOM 0 HG23 ILE A 11 12.319 0.781 4.781 1.00 32.02 H new ATOM 0 HD11 ILE A 11 9.877 -3.297 4.819 1.00 2.40 H new ATOM 0 HD12 ILE A 11 9.558 -2.177 3.473 1.00 2.40 H new ATOM 0 HD13 ILE A 11 10.783 -3.455 3.296 1.00 2.40 H new ATOM 158 N SER A 12 12.527 0.903 0.849 1.00 64.25 N ATOM 159 CA SER A 12 13.046 2.087 0.174 1.00 33.41 C ATOM 160 C SER A 12 11.880 2.947 -0.353 1.00 51.03 C ATOM 161 O SER A 12 11.938 4.175 -0.335 1.00 1.12 O ATOM 162 CB SER A 12 13.976 1.673 -0.958 1.00 43.12 C ATOM 163 OG SER A 12 15.001 0.821 -0.470 1.00 72.23 O ATOM 0 H SER A 12 12.818 0.016 0.438 1.00 64.25 H new ATOM 0 HA SER A 12 13.617 2.686 0.883 1.00 33.41 H new ATOM 0 HB2 SER A 12 13.408 1.161 -1.735 1.00 43.12 H new ATOM 0 HB3 SER A 12 14.417 2.558 -1.416 1.00 43.12 H new ATOM 0 HG SER A 12 14.626 -0.063 -0.273 1.00 72.23 H new ATOM 169 N TYR A 13 10.830 2.274 -0.788 1.00 75.34 N ATOM 170 CA TYR A 13 9.595 2.906 -1.211 1.00 44.24 C ATOM 171 C TYR A 13 8.874 3.533 -0.004 1.00 32.41 C ATOM 172 O TYR A 13 8.464 4.687 -0.052 1.00 21.20 O ATOM 173 CB TYR A 13 8.718 1.854 -1.922 1.00 13.44 C ATOM 174 CG TYR A 13 7.262 2.220 -2.116 1.00 52.52 C ATOM 175 CD1 TYR A 13 6.886 3.288 -2.903 1.00 51.11 C ATOM 176 CD2 TYR A 13 6.260 1.476 -1.497 1.00 21.51 C ATOM 177 CE1 TYR A 13 5.558 3.609 -3.071 1.00 60.53 C ATOM 178 CE2 TYR A 13 4.929 1.791 -1.666 1.00 12.41 C ATOM 179 CZ TYR A 13 4.584 2.861 -2.456 1.00 62.45 C ATOM 180 OH TYR A 13 3.262 3.189 -2.631 1.00 0.32 O ATOM 0 H TYR A 13 10.812 1.257 -0.858 1.00 75.34 H new ATOM 0 HA TYR A 13 9.806 3.714 -1.911 1.00 44.24 H new ATOM 0 HB2 TYR A 13 9.153 1.649 -2.900 1.00 13.44 H new ATOM 0 HB3 TYR A 13 8.765 0.926 -1.352 1.00 13.44 H new ATOM 0 HD1 TYR A 13 7.644 3.881 -3.394 1.00 51.11 H new ATOM 0 HD2 TYR A 13 6.531 0.637 -0.873 1.00 21.51 H new ATOM 0 HE1 TYR A 13 5.281 4.451 -3.688 1.00 60.53 H new ATOM 0 HE2 TYR A 13 4.164 1.202 -1.182 1.00 12.41 H new ATOM 0 HH TYR A 13 3.138 3.587 -3.518 1.00 0.32 H new ATOM 190 N VAL A 14 8.752 2.773 1.069 1.00 41.33 N ATOM 191 CA VAL A 14 8.104 3.240 2.282 1.00 43.15 C ATOM 192 C VAL A 14 8.847 4.429 2.886 1.00 40.03 C ATOM 193 O VAL A 14 8.240 5.444 3.167 1.00 70.53 O ATOM 194 CB VAL A 14 7.915 2.105 3.339 1.00 33.01 C ATOM 195 CG1 VAL A 14 7.339 2.665 4.636 1.00 13.34 C ATOM 196 CG2 VAL A 14 6.979 1.033 2.794 1.00 23.11 C ATOM 0 H VAL A 14 9.099 1.815 1.125 1.00 41.33 H new ATOM 0 HA VAL A 14 7.107 3.571 1.991 1.00 43.15 H new ATOM 0 HB VAL A 14 8.892 1.667 3.545 1.00 33.01 H new ATOM 0 HG11 VAL A 14 7.216 1.858 5.358 1.00 13.34 H new ATOM 0 HG12 VAL A 14 8.018 3.414 5.042 1.00 13.34 H new ATOM 0 HG13 VAL A 14 6.371 3.124 4.436 1.00 13.34 H new ATOM 0 HG21 VAL A 14 6.854 0.247 3.538 1.00 23.11 H new ATOM 0 HG22 VAL A 14 6.009 1.477 2.569 1.00 23.11 H new ATOM 0 HG23 VAL A 14 7.403 0.608 1.885 1.00 23.11 H new ATOM 206 N ASN A 15 10.160 4.306 3.042 1.00 3.21 N ATOM 207 CA ASN A 15 11.008 5.366 3.597 1.00 64.42 C ATOM 208 C ASN A 15 10.886 6.662 2.776 1.00 52.22 C ATOM 209 O ASN A 15 10.917 7.783 3.315 1.00 44.44 O ATOM 210 CB ASN A 15 12.455 4.892 3.610 1.00 33.41 C ATOM 211 CG ASN A 15 13.299 5.686 4.562 1.00 71.14 C ATOM 212 OD1 ASN A 15 13.922 6.680 4.195 1.00 31.44 O ATOM 213 ND2 ASN A 15 13.308 5.267 5.792 1.00 4.00 N ATOM 0 H ASN A 15 10.674 3.463 2.786 1.00 3.21 H new ATOM 0 HA ASN A 15 10.679 5.582 4.613 1.00 64.42 H new ATOM 0 HB2 ASN A 15 12.489 3.839 3.888 1.00 33.41 H new ATOM 0 HB3 ASN A 15 12.871 4.970 2.605 1.00 33.41 H new ATOM 0 HD21 ASN A 15 13.847 5.769 6.498 1.00 4.00 H new ATOM 0 HD22 ASN A 15 12.776 4.437 6.052 1.00 4.00 H new ATOM 220 N LYS A 16 10.723 6.483 1.486 1.00 24.15 N ATOM 221 CA LYS A 16 10.509 7.552 0.533 1.00 2.24 C ATOM 222 C LYS A 16 9.186 8.264 0.859 1.00 43.04 C ATOM 223 O LYS A 16 9.130 9.502 0.933 1.00 72.24 O ATOM 224 CB LYS A 16 10.465 6.903 -0.835 1.00 55.24 C ATOM 225 CG LYS A 16 10.270 7.776 -2.031 1.00 11.45 C ATOM 226 CD LYS A 16 10.225 6.863 -3.230 1.00 33.34 C ATOM 227 CE LYS A 16 10.034 7.580 -4.525 1.00 64.40 C ATOM 228 NZ LYS A 16 9.973 6.611 -5.625 1.00 1.42 N ATOM 0 H LYS A 16 10.736 5.559 1.055 1.00 24.15 H new ATOM 0 HA LYS A 16 11.299 8.302 0.568 1.00 2.24 H new ATOM 0 HB2 LYS A 16 11.397 6.356 -0.972 1.00 55.24 H new ATOM 0 HB3 LYS A 16 9.661 6.167 -0.827 1.00 55.24 H new ATOM 0 HG2 LYS A 16 9.347 8.349 -1.946 1.00 11.45 H new ATOM 0 HG3 LYS A 16 11.084 8.495 -2.122 1.00 11.45 H new ATOM 0 HD2 LYS A 16 11.152 6.291 -3.275 1.00 33.34 H new ATOM 0 HD3 LYS A 16 9.414 6.146 -3.099 1.00 33.34 H new ATOM 0 HE2 LYS A 16 9.116 8.167 -4.494 1.00 64.40 H new ATOM 0 HE3 LYS A 16 10.854 8.279 -4.689 1.00 64.40 H new ATOM 0 HZ1 LYS A 16 10.146 7.099 -6.527 1.00 1.42 H new ATOM 0 HZ2 LYS A 16 10.697 5.878 -5.483 1.00 1.42 H new ATOM 0 HZ3 LYS A 16 9.032 6.168 -5.646 1.00 1.42 H new ATOM 242 N ILE A 17 8.140 7.464 1.095 1.00 54.30 N ATOM 243 CA ILE A 17 6.830 7.949 1.486 1.00 53.55 C ATOM 244 C ILE A 17 6.945 8.716 2.800 1.00 60.44 C ATOM 245 O ILE A 17 6.452 9.846 2.912 1.00 13.24 O ATOM 246 CB ILE A 17 5.849 6.764 1.707 1.00 71.34 C ATOM 247 CG1 ILE A 17 5.627 5.965 0.423 1.00 4.52 C ATOM 248 CG2 ILE A 17 4.530 7.242 2.276 1.00 5.23 C ATOM 249 CD1 ILE A 17 4.743 4.751 0.622 1.00 35.24 C ATOM 0 H ILE A 17 8.190 6.448 1.016 1.00 54.30 H new ATOM 0 HA ILE A 17 6.454 8.593 0.691 1.00 53.55 H new ATOM 0 HB ILE A 17 6.311 6.097 2.435 1.00 71.34 H new ATOM 0 HG12 ILE A 17 5.178 6.614 -0.329 1.00 4.52 H new ATOM 0 HG13 ILE A 17 6.592 5.644 0.031 1.00 4.52 H new ATOM 0 HG21 ILE A 17 3.865 6.390 2.419 1.00 5.23 H new ATOM 0 HG22 ILE A 17 4.703 7.732 3.234 1.00 5.23 H new ATOM 0 HG23 ILE A 17 4.070 7.949 1.585 1.00 5.23 H new ATOM 0 HD11 ILE A 17 4.625 4.228 -0.327 1.00 35.24 H new ATOM 0 HD12 ILE A 17 5.202 4.083 1.351 1.00 35.24 H new ATOM 0 HD13 ILE A 17 3.766 5.068 0.985 1.00 35.24 H new ATOM 261 N LYS A 18 7.627 8.091 3.774 1.00 44.20 N ATOM 262 CA LYS A 18 7.826 8.644 5.100 1.00 32.21 C ATOM 263 C LYS A 18 8.372 10.053 5.022 1.00 75.34 C ATOM 264 O LYS A 18 7.933 10.898 5.728 1.00 73.43 O ATOM 265 CB LYS A 18 8.815 7.803 5.905 1.00 11.51 C ATOM 266 CG LYS A 18 8.452 6.343 6.014 1.00 53.53 C ATOM 267 CD LYS A 18 9.417 5.574 6.845 1.00 71.12 C ATOM 268 CE LYS A 18 9.148 5.857 8.256 1.00 15.32 C ATOM 269 NZ LYS A 18 10.101 5.193 9.164 1.00 20.12 N ATOM 0 H LYS A 18 8.057 7.175 3.648 1.00 44.20 H new ATOM 0 HA LYS A 18 6.853 8.645 5.590 1.00 32.21 H new ATOM 0 HB2 LYS A 18 9.800 7.886 5.446 1.00 11.51 H new ATOM 0 HB3 LYS A 18 8.894 8.220 6.909 1.00 11.51 H new ATOM 0 HG2 LYS A 18 7.455 6.252 6.444 1.00 53.53 H new ATOM 0 HG3 LYS A 18 8.410 5.907 5.016 1.00 53.53 H new ATOM 0 HD2 LYS A 18 9.319 4.506 6.648 1.00 71.12 H new ATOM 0 HD3 LYS A 18 10.440 5.852 6.592 1.00 71.12 H new ATOM 0 HE2 LYS A 18 9.187 6.934 8.420 1.00 15.32 H new ATOM 0 HE3 LYS A 18 8.136 5.534 8.500 1.00 15.32 H new ATOM 0 HZ1 LYS A 18 9.863 5.428 10.149 1.00 20.12 H new ATOM 0 HZ2 LYS A 18 10.047 4.163 9.031 1.00 20.12 H new ATOM 0 HZ3 LYS A 18 11.066 5.519 8.953 1.00 20.12 H new ATOM 283 N THR A 19 9.335 10.263 4.139 1.00 13.24 N ATOM 284 CA THR A 19 9.987 11.531 3.922 1.00 54.00 C ATOM 285 C THR A 19 9.084 12.542 3.181 1.00 43.31 C ATOM 286 O THR A 19 9.048 13.736 3.521 1.00 41.33 O ATOM 287 CB THR A 19 11.284 11.249 3.130 1.00 72.41 C ATOM 288 OG1 THR A 19 12.348 10.860 3.997 1.00 33.53 O ATOM 289 CG2 THR A 19 11.688 12.370 2.197 1.00 62.24 C ATOM 0 H THR A 19 9.693 9.523 3.535 1.00 13.24 H new ATOM 0 HA THR A 19 10.212 11.996 4.882 1.00 54.00 H new ATOM 0 HB THR A 19 11.059 10.406 2.477 1.00 72.41 H new ATOM 0 HG1 THR A 19 13.154 10.687 3.468 1.00 33.53 H new ATOM 0 HG21 THR A 19 12.607 12.098 1.677 1.00 62.24 H new ATOM 0 HG22 THR A 19 10.896 12.540 1.468 1.00 62.24 H new ATOM 0 HG23 THR A 19 11.853 13.281 2.773 1.00 62.24 H new ATOM 297 N ARG A 20 8.378 12.074 2.190 1.00 42.12 N ATOM 298 CA ARG A 20 7.519 12.925 1.390 1.00 12.53 C ATOM 299 C ARG A 20 6.355 13.463 2.173 1.00 1.23 C ATOM 300 O ARG A 20 5.915 14.598 1.976 1.00 42.02 O ATOM 301 CB ARG A 20 7.075 12.181 0.149 1.00 1.51 C ATOM 302 CG ARG A 20 8.081 12.278 -0.969 1.00 62.34 C ATOM 303 CD ARG A 20 8.011 13.660 -1.604 1.00 4.15 C ATOM 304 NE ARG A 20 8.999 13.845 -2.650 1.00 2.23 N ATOM 305 CZ ARG A 20 9.167 14.958 -3.374 1.00 4.23 C ATOM 306 NH1 ARG A 20 8.485 16.069 -3.086 1.00 50.45 N ATOM 307 NH2 ARG A 20 10.057 14.963 -4.355 1.00 0.31 N ATOM 0 H ARG A 20 8.376 11.094 1.908 1.00 42.12 H new ATOM 0 HA ARG A 20 8.095 13.798 1.083 1.00 12.53 H new ATOM 0 HB2 ARG A 20 6.911 11.132 0.397 1.00 1.51 H new ATOM 0 HB3 ARG A 20 6.120 12.582 -0.190 1.00 1.51 H new ATOM 0 HG2 ARG A 20 9.084 12.094 -0.585 1.00 62.34 H new ATOM 0 HG3 ARG A 20 7.881 11.512 -1.719 1.00 62.34 H new ATOM 0 HD2 ARG A 20 7.015 13.815 -2.019 1.00 4.15 H new ATOM 0 HD3 ARG A 20 8.157 14.417 -0.834 1.00 4.15 H new ATOM 0 HE ARG A 20 9.618 13.060 -2.851 1.00 2.23 H new ATOM 0 HH11 ARG A 20 7.827 16.076 -2.307 1.00 50.45 H new ATOM 0 HH12 ARG A 20 8.622 16.911 -3.645 1.00 50.45 H new ATOM 0 HH21 ARG A 20 10.605 14.125 -4.551 1.00 0.31 H new ATOM 0 HH22 ARG A 20 10.195 15.805 -4.914 1.00 0.31 H new ATOM 321 N PHE A 21 5.890 12.677 3.072 1.00 52.11 N ATOM 322 CA PHE A 21 4.774 13.029 3.889 1.00 73.51 C ATOM 323 C PHE A 21 5.234 13.018 5.333 1.00 40.02 C ATOM 324 O PHE A 21 4.483 12.729 6.248 1.00 32.35 O ATOM 325 CB PHE A 21 3.649 12.032 3.617 1.00 11.53 C ATOM 326 CG PHE A 21 3.295 11.966 2.144 1.00 72.54 C ATOM 327 CD1 PHE A 21 2.473 12.918 1.570 1.00 73.45 C ATOM 328 CD2 PHE A 21 3.805 10.962 1.336 1.00 31.45 C ATOM 329 CE1 PHE A 21 2.161 12.866 0.226 1.00 14.20 C ATOM 330 CE2 PHE A 21 3.498 10.906 -0.001 1.00 52.30 C ATOM 331 CZ PHE A 21 2.675 11.858 -0.559 1.00 4.10 C ATOM 0 H PHE A 21 6.276 11.754 3.269 1.00 52.11 H new ATOM 0 HA PHE A 21 4.391 14.025 3.667 1.00 73.51 H new ATOM 0 HB2 PHE A 21 3.949 11.043 3.963 1.00 11.53 H new ATOM 0 HB3 PHE A 21 2.766 12.316 4.190 1.00 11.53 H new ATOM 0 HD1 PHE A 21 2.070 13.712 2.181 1.00 73.45 H new ATOM 0 HD2 PHE A 21 4.454 10.212 1.765 1.00 31.45 H new ATOM 0 HE1 PHE A 21 1.515 13.614 -0.209 1.00 14.20 H new ATOM 0 HE2 PHE A 21 3.902 10.115 -0.615 1.00 52.30 H new ATOM 0 HZ PHE A 21 2.433 11.814 -1.611 1.00 4.10 H new ATOM 341 N LEU A 22 6.483 13.434 5.506 1.00 22.21 N ATOM 342 CA LEU A 22 7.183 13.424 6.780 1.00 54.40 C ATOM 343 C LEU A 22 6.486 14.294 7.805 1.00 71.33 C ATOM 344 O LEU A 22 6.421 13.951 8.982 1.00 35.20 O ATOM 345 CB LEU A 22 8.637 13.890 6.560 1.00 41.55 C ATOM 346 CG LEU A 22 9.749 13.045 7.152 1.00 71.34 C ATOM 347 CD1 LEU A 22 11.103 13.651 6.856 1.00 61.34 C ATOM 348 CD2 LEU A 22 9.562 12.885 8.604 1.00 31.33 C ATOM 0 H LEU A 22 7.051 13.797 4.741 1.00 22.21 H new ATOM 0 HA LEU A 22 7.182 12.408 7.174 1.00 54.40 H new ATOM 0 HB2 LEU A 22 8.807 13.961 5.486 1.00 41.55 H new ATOM 0 HB3 LEU A 22 8.730 14.898 6.965 1.00 41.55 H new ATOM 0 HG LEU A 22 9.708 12.060 6.688 1.00 71.34 H new ATOM 0 HD11 LEU A 22 11.884 13.027 7.291 1.00 61.34 H new ATOM 0 HD12 LEU A 22 11.246 13.712 5.777 1.00 61.34 H new ATOM 0 HD13 LEU A 22 11.156 14.651 7.286 1.00 61.34 H new ATOM 0 HD21 LEU A 22 10.370 12.276 9.010 1.00 31.33 H new ATOM 0 HD22 LEU A 22 9.571 13.865 9.082 1.00 31.33 H new ATOM 0 HD23 LEU A 22 8.607 12.396 8.796 1.00 31.33 H new ATOM 360 N ASP A 23 5.918 15.377 7.359 1.00 43.03 N ATOM 361 CA ASP A 23 5.272 16.297 8.270 1.00 34.04 C ATOM 362 C ASP A 23 3.768 16.071 8.254 1.00 32.24 C ATOM 363 O ASP A 23 2.997 16.804 8.866 1.00 70.11 O ATOM 364 CB ASP A 23 5.611 17.734 7.881 1.00 52.14 C ATOM 365 CG ASP A 23 5.363 18.711 9.001 1.00 4.34 C ATOM 366 OD1 ASP A 23 6.178 18.740 9.951 1.00 54.53 O ATOM 367 OD2 ASP A 23 4.379 19.478 8.957 1.00 63.24 O ATOM 0 H ASP A 23 5.885 15.650 6.377 1.00 43.03 H new ATOM 0 HA ASP A 23 5.634 16.120 9.283 1.00 34.04 H new ATOM 0 HB2 ASP A 23 6.658 17.788 7.582 1.00 52.14 H new ATOM 0 HB3 ASP A 23 5.016 18.022 7.014 1.00 52.14 H new ATOM 372 N HIS A 24 3.353 15.018 7.587 1.00 15.35 N ATOM 373 CA HIS A 24 1.949 14.713 7.439 1.00 71.04 C ATOM 374 C HIS A 24 1.645 13.276 7.912 1.00 21.13 C ATOM 375 O HIS A 24 1.520 12.359 7.090 1.00 15.25 O ATOM 376 CB HIS A 24 1.528 14.882 5.978 1.00 40.20 C ATOM 377 CG HIS A 24 1.658 16.278 5.410 1.00 51.34 C ATOM 378 ND1 HIS A 24 2.796 16.768 4.785 1.00 22.12 N ATOM 379 CD2 HIS A 24 0.746 17.273 5.347 1.00 40.04 C ATOM 380 CE1 HIS A 24 2.541 18.011 4.374 1.00 2.33 C ATOM 381 NE2 HIS A 24 1.305 18.369 4.688 1.00 34.32 N ATOM 0 H HIS A 24 3.977 14.351 7.133 1.00 15.35 H new ATOM 0 HA HIS A 24 1.381 15.406 8.060 1.00 71.04 H new ATOM 0 HB2 HIS A 24 2.126 14.205 5.367 1.00 40.20 H new ATOM 0 HB3 HIS A 24 0.489 14.566 5.881 1.00 40.20 H new ATOM 0 HD2 HIS A 24 -0.257 17.227 5.744 1.00 40.04 H new ATOM 0 HE1 HIS A 24 3.248 18.641 3.855 1.00 2.33 H new ATOM 0 HE2 HIS A 24 0.854 19.262 4.489 1.00 34.32 H new ATOM 389 N PRO A 25 1.534 13.062 9.249 1.00 51.52 N ATOM 390 CA PRO A 25 1.314 11.728 9.842 1.00 43.25 C ATOM 391 C PRO A 25 0.098 10.997 9.272 1.00 43.41 C ATOM 392 O PRO A 25 0.180 9.817 8.949 1.00 62.04 O ATOM 393 CB PRO A 25 1.096 12.024 11.329 1.00 75.41 C ATOM 394 CG PRO A 25 1.801 13.308 11.560 1.00 52.04 C ATOM 395 CD PRO A 25 1.640 14.101 10.295 1.00 52.34 C ATOM 0 HA PRO A 25 2.156 11.068 9.632 1.00 43.25 H new ATOM 0 HB2 PRO A 25 0.035 12.106 11.566 1.00 75.41 H new ATOM 0 HB3 PRO A 25 1.502 11.230 11.955 1.00 75.41 H new ATOM 0 HG2 PRO A 25 1.375 13.840 12.411 1.00 52.04 H new ATOM 0 HG3 PRO A 25 2.854 13.140 11.784 1.00 52.04 H new ATOM 0 HD2 PRO A 25 0.751 14.731 10.327 1.00 52.34 H new ATOM 0 HD3 PRO A 25 2.492 14.759 10.122 1.00 52.34 H new ATOM 403 N GLU A 26 -1.007 11.719 9.123 1.00 54.43 N ATOM 404 CA GLU A 26 -2.288 11.180 8.641 1.00 54.12 C ATOM 405 C GLU A 26 -2.191 10.591 7.233 1.00 14.34 C ATOM 406 O GLU A 26 -2.897 9.667 6.918 1.00 61.33 O ATOM 407 CB GLU A 26 -3.319 12.289 8.674 1.00 12.22 C ATOM 408 CG GLU A 26 -2.987 13.436 7.752 1.00 62.33 C ATOM 409 CD GLU A 26 -3.853 14.628 7.973 1.00 35.54 C ATOM 410 OE1 GLU A 26 -3.597 15.377 8.936 1.00 22.23 O ATOM 411 OE2 GLU A 26 -4.780 14.861 7.186 1.00 55.21 O ATOM 0 H GLU A 26 -1.045 12.716 9.336 1.00 54.43 H new ATOM 0 HA GLU A 26 -2.579 10.360 9.297 1.00 54.12 H new ATOM 0 HB2 GLU A 26 -4.292 11.880 8.400 1.00 12.22 H new ATOM 0 HB3 GLU A 26 -3.407 12.664 9.694 1.00 12.22 H new ATOM 0 HG2 GLU A 26 -1.944 13.720 7.894 1.00 62.33 H new ATOM 0 HG3 GLU A 26 -3.089 13.106 6.718 1.00 62.33 H new ATOM 418 N ILE A 27 -1.303 11.109 6.408 1.00 61.34 N ATOM 419 CA ILE A 27 -1.168 10.614 5.051 1.00 32.12 C ATOM 420 C ILE A 27 -0.537 9.246 5.075 1.00 22.30 C ATOM 421 O ILE A 27 -1.011 8.313 4.427 1.00 23.05 O ATOM 422 CB ILE A 27 -0.343 11.585 4.198 1.00 3.32 C ATOM 423 CG1 ILE A 27 -1.066 12.932 4.177 1.00 2.22 C ATOM 424 CG2 ILE A 27 -0.131 11.039 2.778 1.00 14.40 C ATOM 425 CD1 ILE A 27 -0.416 13.959 3.312 1.00 15.53 C ATOM 0 H ILE A 27 -0.667 11.868 6.651 1.00 61.34 H new ATOM 0 HA ILE A 27 -2.157 10.538 4.599 1.00 32.12 H new ATOM 0 HB ILE A 27 0.649 11.707 4.632 1.00 3.32 H new ATOM 0 HG12 ILE A 27 -2.089 12.778 3.833 1.00 2.22 H new ATOM 0 HG13 ILE A 27 -1.126 13.316 5.195 1.00 2.22 H new ATOM 0 HG21 ILE A 27 0.457 11.751 2.199 1.00 14.40 H new ATOM 0 HG22 ILE A 27 0.398 10.087 2.829 1.00 14.40 H new ATOM 0 HG23 ILE A 27 -1.098 10.891 2.297 1.00 14.40 H new ATOM 0 HD11 ILE A 27 -0.990 14.885 3.352 1.00 15.53 H new ATOM 0 HD12 ILE A 27 0.598 14.145 3.667 1.00 15.53 H new ATOM 0 HD13 ILE A 27 -0.380 13.599 2.284 1.00 15.53 H new ATOM 437 N TYR A 28 0.488 9.124 5.882 1.00 72.43 N ATOM 438 CA TYR A 28 1.179 7.872 6.073 1.00 64.43 C ATOM 439 C TYR A 28 0.198 6.896 6.729 1.00 21.32 C ATOM 440 O TYR A 28 -0.022 5.789 6.254 1.00 31.31 O ATOM 441 CB TYR A 28 2.373 8.118 7.008 1.00 10.20 C ATOM 442 CG TYR A 28 3.384 6.992 7.093 1.00 43.15 C ATOM 443 CD1 TYR A 28 4.316 6.782 6.079 1.00 51.55 C ATOM 444 CD2 TYR A 28 3.415 6.144 8.187 1.00 73.33 C ATOM 445 CE1 TYR A 28 5.237 5.764 6.164 1.00 1.21 C ATOM 446 CE2 TYR A 28 4.340 5.123 8.277 1.00 50.20 C ATOM 447 CZ TYR A 28 5.245 4.937 7.270 1.00 64.43 C ATOM 448 OH TYR A 28 6.183 3.930 7.375 1.00 53.12 O ATOM 0 H TYR A 28 0.869 9.896 6.429 1.00 72.43 H new ATOM 0 HA TYR A 28 1.537 7.464 5.128 1.00 64.43 H new ATOM 0 HB2 TYR A 28 2.888 9.020 6.679 1.00 10.20 H new ATOM 0 HB3 TYR A 28 1.992 8.316 8.010 1.00 10.20 H new ATOM 0 HD1 TYR A 28 4.315 7.428 5.214 1.00 51.55 H new ATOM 0 HD2 TYR A 28 2.702 6.284 8.986 1.00 73.33 H new ATOM 0 HE1 TYR A 28 5.951 5.612 5.369 1.00 1.21 H new ATOM 0 HE2 TYR A 28 4.348 4.474 9.140 1.00 50.20 H new ATOM 0 HH TYR A 28 6.048 3.444 8.215 1.00 53.12 H new ATOM 458 N ARG A 29 -0.437 7.381 7.783 1.00 22.24 N ATOM 459 CA ARG A 29 -1.343 6.648 8.597 1.00 2.30 C ATOM 460 C ARG A 29 -2.594 6.153 7.833 1.00 24.41 C ATOM 461 O ARG A 29 -2.977 4.994 7.973 1.00 14.40 O ATOM 462 CB ARG A 29 -1.679 7.534 9.774 1.00 60.21 C ATOM 463 CG ARG A 29 -2.457 6.900 10.857 1.00 21.44 C ATOM 464 CD ARG A 29 -3.923 7.090 10.652 1.00 31.32 C ATOM 465 NE ARG A 29 -4.713 6.392 11.672 1.00 54.32 N ATOM 466 CZ ARG A 29 -5.778 5.617 11.445 1.00 14.11 C ATOM 467 NH1 ARG A 29 -6.212 5.405 10.214 1.00 4.33 N ATOM 468 NH2 ARG A 29 -6.407 5.057 12.467 1.00 54.05 N ATOM 0 H ARG A 29 -0.317 8.345 8.094 1.00 22.24 H new ATOM 0 HA ARG A 29 -0.877 5.723 8.937 1.00 2.30 H new ATOM 0 HB2 ARG A 29 -0.748 7.914 10.196 1.00 60.21 H new ATOM 0 HB3 ARG A 29 -2.238 8.395 9.408 1.00 60.21 H new ATOM 0 HG2 ARG A 29 -2.228 5.835 10.897 1.00 21.44 H new ATOM 0 HG3 ARG A 29 -2.163 7.326 11.816 1.00 21.44 H new ATOM 0 HD2 ARG A 29 -4.158 8.154 10.676 1.00 31.32 H new ATOM 0 HD3 ARG A 29 -4.202 6.724 9.664 1.00 31.32 H new ATOM 0 HE ARG A 29 -4.423 6.509 12.643 1.00 54.32 H new ATOM 0 HH11 ARG A 29 -5.733 5.835 9.423 1.00 4.33 H new ATOM 0 HH12 ARG A 29 -7.026 4.811 10.055 1.00 4.33 H new ATOM 0 HH21 ARG A 29 -6.078 5.218 13.419 1.00 54.05 H new ATOM 0 HH22 ARG A 29 -7.221 4.464 12.302 1.00 54.05 H new ATOM 482 N SER A 30 -3.225 7.009 7.047 1.00 3.21 N ATOM 483 CA SER A 30 -4.382 6.592 6.275 1.00 35.44 C ATOM 484 C SER A 30 -4.007 5.639 5.174 1.00 14.03 C ATOM 485 O SER A 30 -4.783 4.797 4.792 1.00 52.03 O ATOM 486 CB SER A 30 -5.201 7.773 5.768 1.00 10.01 C ATOM 487 OG SER A 30 -5.825 8.420 6.864 1.00 72.23 O ATOM 0 H SER A 30 -2.959 7.986 6.927 1.00 3.21 H new ATOM 0 HA SER A 30 -5.033 6.044 6.957 1.00 35.44 H new ATOM 0 HB2 SER A 30 -4.558 8.474 5.236 1.00 10.01 H new ATOM 0 HB3 SER A 30 -5.953 7.430 5.058 1.00 10.01 H new ATOM 0 HG SER A 30 -6.375 7.774 7.355 1.00 72.23 H new ATOM 493 N PHE A 31 -2.824 5.752 4.666 1.00 33.42 N ATOM 494 CA PHE A 31 -2.386 4.781 3.723 1.00 32.44 C ATOM 495 C PHE A 31 -2.141 3.429 4.420 1.00 14.41 C ATOM 496 O PHE A 31 -2.487 2.359 3.888 1.00 13.31 O ATOM 497 CB PHE A 31 -1.181 5.267 2.947 1.00 61.54 C ATOM 498 CG PHE A 31 -0.461 4.146 2.291 1.00 31.12 C ATOM 499 CD1 PHE A 31 -0.967 3.574 1.148 1.00 44.34 C ATOM 500 CD2 PHE A 31 0.687 3.626 2.856 1.00 35.11 C ATOM 501 CE1 PHE A 31 -0.348 2.505 0.563 1.00 34.53 C ATOM 502 CE2 PHE A 31 1.323 2.547 2.284 1.00 24.41 C ATOM 503 CZ PHE A 31 0.805 1.979 1.129 1.00 70.15 C ATOM 0 H PHE A 31 -2.156 6.492 4.883 1.00 33.42 H new ATOM 0 HA PHE A 31 -3.176 4.627 2.988 1.00 32.44 H new ATOM 0 HB2 PHE A 31 -1.500 5.986 2.192 1.00 61.54 H new ATOM 0 HB3 PHE A 31 -0.502 5.791 3.620 1.00 61.54 H new ATOM 0 HD1 PHE A 31 -1.867 3.975 0.706 1.00 44.34 H new ATOM 0 HD2 PHE A 31 1.089 4.070 3.755 1.00 35.11 H new ATOM 0 HE1 PHE A 31 -0.755 2.070 -0.338 1.00 34.53 H new ATOM 0 HE2 PHE A 31 2.220 2.145 2.732 1.00 24.41 H new ATOM 0 HZ PHE A 31 1.296 1.132 0.673 1.00 70.15 H new ATOM 513 N LEU A 32 -1.568 3.484 5.604 1.00 43.21 N ATOM 514 CA LEU A 32 -1.346 2.309 6.407 1.00 14.21 C ATOM 515 C LEU A 32 -2.650 1.604 6.711 1.00 44.13 C ATOM 516 O LEU A 32 -2.695 0.388 6.730 1.00 11.51 O ATOM 517 CB LEU A 32 -0.650 2.677 7.704 1.00 54.12 C ATOM 518 CG LEU A 32 0.771 3.192 7.592 1.00 64.44 C ATOM 519 CD1 LEU A 32 1.290 3.505 8.963 1.00 51.11 C ATOM 520 CD2 LEU A 32 1.681 2.194 6.872 1.00 24.22 C ATOM 0 H LEU A 32 -1.243 4.350 6.034 1.00 43.21 H new ATOM 0 HA LEU A 32 -0.709 1.632 5.838 1.00 14.21 H new ATOM 0 HB2 LEU A 32 -1.248 3.436 8.208 1.00 54.12 H new ATOM 0 HB3 LEU A 32 -0.643 1.798 8.348 1.00 54.12 H new ATOM 0 HG LEU A 32 0.767 4.101 6.991 1.00 64.44 H new ATOM 0 HD11 LEU A 32 2.312 3.876 8.889 1.00 51.11 H new ATOM 0 HD12 LEU A 32 0.661 4.265 9.426 1.00 51.11 H new ATOM 0 HD13 LEU A 32 1.275 2.602 9.573 1.00 51.11 H new ATOM 0 HD21 LEU A 32 2.691 2.600 6.812 1.00 24.22 H new ATOM 0 HD22 LEU A 32 1.700 1.255 7.425 1.00 24.22 H new ATOM 0 HD23 LEU A 32 1.301 2.016 5.866 1.00 24.22 H new ATOM 532 N GLU A 33 -3.713 2.374 6.902 1.00 1.45 N ATOM 533 CA GLU A 33 -5.016 1.818 7.216 1.00 12.34 C ATOM 534 C GLU A 33 -5.567 1.027 6.011 1.00 31.30 C ATOM 535 O GLU A 33 -6.325 0.062 6.170 1.00 71.13 O ATOM 536 CB GLU A 33 -5.991 2.916 7.712 1.00 41.12 C ATOM 537 CG GLU A 33 -6.750 3.724 6.647 1.00 35.54 C ATOM 538 CD GLU A 33 -7.643 4.792 7.264 1.00 21.25 C ATOM 539 OE1 GLU A 33 -7.138 5.877 7.655 1.00 35.42 O ATOM 540 OE2 GLU A 33 -8.873 4.540 7.416 1.00 73.42 O ATOM 0 H GLU A 33 -3.694 3.392 6.844 1.00 1.45 H new ATOM 0 HA GLU A 33 -4.909 1.113 8.040 1.00 12.34 H new ATOM 0 HB2 GLU A 33 -6.726 2.444 8.363 1.00 41.12 H new ATOM 0 HB3 GLU A 33 -5.425 3.617 8.326 1.00 41.12 H new ATOM 0 HG2 GLU A 33 -6.035 4.196 5.973 1.00 35.54 H new ATOM 0 HG3 GLU A 33 -7.357 3.048 6.045 1.00 35.54 H new ATOM 547 N ILE A 34 -5.152 1.431 4.820 1.00 0.54 N ATOM 548 CA ILE A 34 -5.518 0.792 3.584 1.00 53.04 C ATOM 549 C ILE A 34 -4.777 -0.531 3.455 1.00 22.35 C ATOM 550 O ILE A 34 -5.381 -1.548 3.195 1.00 72.25 O ATOM 551 CB ILE A 34 -5.157 1.720 2.404 1.00 55.02 C ATOM 552 CG1 ILE A 34 -5.959 3.009 2.517 1.00 72.31 C ATOM 553 CG2 ILE A 34 -5.350 1.044 1.048 1.00 53.21 C ATOM 554 CD1 ILE A 34 -5.567 4.071 1.543 1.00 32.04 C ATOM 0 H ILE A 34 -4.536 2.234 4.693 1.00 0.54 H new ATOM 0 HA ILE A 34 -6.591 0.599 3.573 1.00 53.04 H new ATOM 0 HB ILE A 34 -4.094 1.956 2.463 1.00 55.02 H new ATOM 0 HG12 ILE A 34 -7.015 2.778 2.378 1.00 72.31 H new ATOM 0 HG13 ILE A 34 -5.849 3.403 3.528 1.00 72.31 H new ATOM 0 HG21 ILE A 34 -5.082 1.740 0.253 1.00 53.21 H new ATOM 0 HG22 ILE A 34 -4.713 0.161 0.987 1.00 53.21 H new ATOM 0 HG23 ILE A 34 -6.393 0.747 0.934 1.00 53.21 H new ATOM 0 HD11 ILE A 34 -6.190 4.952 1.696 1.00 32.04 H new ATOM 0 HD12 ILE A 34 -4.520 4.335 1.695 1.00 32.04 H new ATOM 0 HD13 ILE A 34 -5.704 3.701 0.527 1.00 32.04 H new ATOM 566 N LEU A 35 -3.473 -0.513 3.670 1.00 11.13 N ATOM 567 CA LEU A 35 -2.675 -1.710 3.572 1.00 41.04 C ATOM 568 C LEU A 35 -3.090 -2.684 4.689 1.00 24.04 C ATOM 569 O LEU A 35 -3.159 -3.896 4.487 1.00 34.41 O ATOM 570 CB LEU A 35 -1.202 -1.313 3.686 1.00 44.51 C ATOM 571 CG LEU A 35 -0.145 -2.250 3.073 1.00 73.40 C ATOM 572 CD1 LEU A 35 -0.079 -3.618 3.754 1.00 12.42 C ATOM 573 CD2 LEU A 35 -0.361 -2.405 1.574 1.00 73.22 C ATOM 0 H LEU A 35 -2.947 0.326 3.915 1.00 11.13 H new ATOM 0 HA LEU A 35 -2.829 -2.212 2.617 1.00 41.04 H new ATOM 0 HB2 LEU A 35 -1.085 -0.332 3.224 1.00 44.51 H new ATOM 0 HB3 LEU A 35 -0.970 -1.197 4.745 1.00 44.51 H new ATOM 0 HG LEU A 35 0.820 -1.774 3.247 1.00 73.40 H new ATOM 0 HD11 LEU A 35 0.686 -4.227 3.273 1.00 12.42 H new ATOM 0 HD12 LEU A 35 0.170 -3.488 4.807 1.00 12.42 H new ATOM 0 HD13 LEU A 35 -1.046 -4.114 3.668 1.00 12.42 H new ATOM 0 HD21 LEU A 35 0.398 -3.071 1.164 1.00 73.22 H new ATOM 0 HD22 LEU A 35 -1.350 -2.825 1.390 1.00 73.22 H new ATOM 0 HD23 LEU A 35 -0.286 -1.430 1.093 1.00 73.22 H new ATOM 585 N HIS A 36 -3.397 -2.132 5.843 1.00 41.44 N ATOM 586 CA HIS A 36 -3.838 -2.906 6.983 1.00 61.24 C ATOM 587 C HIS A 36 -5.163 -3.613 6.672 1.00 22.00 C ATOM 588 O HIS A 36 -5.292 -4.819 6.898 1.00 4.21 O ATOM 589 CB HIS A 36 -3.978 -1.997 8.216 1.00 14.20 C ATOM 590 CG HIS A 36 -4.328 -2.707 9.484 1.00 13.34 C ATOM 591 ND1 HIS A 36 -5.489 -2.498 10.185 1.00 64.50 N ATOM 592 CD2 HIS A 36 -3.623 -3.618 10.192 1.00 44.30 C ATOM 593 CE1 HIS A 36 -5.461 -3.260 11.268 1.00 44.05 C ATOM 594 NE2 HIS A 36 -4.348 -3.967 11.323 1.00 72.14 N ATOM 0 H HIS A 36 -3.347 -1.128 6.018 1.00 41.44 H new ATOM 0 HA HIS A 36 -3.091 -3.670 7.200 1.00 61.24 H new ATOM 0 HB2 HIS A 36 -3.040 -1.462 8.363 1.00 14.20 H new ATOM 0 HB3 HIS A 36 -4.744 -1.248 8.012 1.00 14.20 H new ATOM 0 HD1 HIS A 36 -6.243 -1.865 9.918 1.00 64.50 H new ATOM 0 HD2 HIS A 36 -2.654 -4.010 9.922 1.00 44.30 H new ATOM 0 HE1 HIS A 36 -6.246 -3.298 12.009 1.00 44.05 H new ATOM 602 N THR A 37 -6.121 -2.879 6.103 1.00 53.25 N ATOM 603 CA THR A 37 -7.409 -3.453 5.802 1.00 32.03 C ATOM 604 C THR A 37 -7.255 -4.456 4.666 1.00 22.20 C ATOM 605 O THR A 37 -7.921 -5.502 4.650 1.00 13.34 O ATOM 606 CB THR A 37 -8.476 -2.355 5.448 1.00 2.31 C ATOM 607 OG1 THR A 37 -9.799 -2.891 5.551 1.00 4.10 O ATOM 608 CG2 THR A 37 -8.305 -1.801 4.037 1.00 41.25 C ATOM 0 H THR A 37 -6.020 -1.897 5.848 1.00 53.25 H new ATOM 0 HA THR A 37 -7.777 -3.964 6.691 1.00 32.03 H new ATOM 0 HB THR A 37 -8.324 -1.546 6.163 1.00 2.31 H new ATOM 0 HG1 THR A 37 -10.452 -2.195 5.329 1.00 4.10 H new ATOM 0 HG21 THR A 37 -9.069 -1.047 3.847 1.00 41.25 H new ATOM 0 HG22 THR A 37 -7.317 -1.350 3.940 1.00 41.25 H new ATOM 0 HG23 THR A 37 -8.406 -2.610 3.314 1.00 41.25 H new ATOM 616 N TYR A 38 -6.321 -4.146 3.769 1.00 61.11 N ATOM 617 CA TYR A 38 -6.035 -4.949 2.616 1.00 20.32 C ATOM 618 C TYR A 38 -5.585 -6.329 3.053 1.00 2.30 C ATOM 619 O TYR A 38 -6.175 -7.339 2.671 1.00 52.33 O ATOM 620 CB TYR A 38 -4.884 -4.313 1.822 1.00 25.44 C ATOM 621 CG TYR A 38 -4.610 -4.999 0.523 1.00 63.34 C ATOM 622 CD1 TYR A 38 -5.317 -4.642 -0.568 1.00 30.24 C ATOM 623 CD2 TYR A 38 -3.661 -6.006 0.398 1.00 74.52 C ATOM 624 CE1 TYR A 38 -5.131 -5.250 -1.785 1.00 32.00 C ATOM 625 CE2 TYR A 38 -3.454 -6.628 -0.820 1.00 34.44 C ATOM 626 CZ TYR A 38 -4.207 -6.238 -1.910 1.00 54.53 C ATOM 627 OH TYR A 38 -4.043 -6.853 -3.122 1.00 23.32 O ATOM 0 H TYR A 38 -5.739 -3.311 3.838 1.00 61.11 H new ATOM 0 HA TYR A 38 -6.935 -5.017 2.004 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -5.120 -3.266 1.629 1.00 25.44 H new ATOM 0 HB3 TYR A 38 -3.980 -4.329 2.431 1.00 25.44 H new ATOM 0 HD1 TYR A 38 -6.051 -3.855 -0.482 1.00 30.24 H new ATOM 0 HD2 TYR A 38 -3.081 -6.305 1.258 1.00 74.52 H new ATOM 0 HE1 TYR A 38 -5.717 -4.944 -2.639 1.00 32.00 H new ATOM 0 HE2 TYR A 38 -2.713 -7.408 -0.917 1.00 34.44 H new ATOM 0 HH TYR A 38 -4.256 -6.222 -3.841 1.00 23.32 H new ATOM 637 N GLN A 39 -4.569 -6.334 3.913 1.00 44.44 N ATOM 638 CA GLN A 39 -3.943 -7.501 4.412 1.00 24.15 C ATOM 639 C GLN A 39 -4.936 -8.372 5.154 1.00 24.31 C ATOM 640 O GLN A 39 -4.984 -9.580 4.946 1.00 15.44 O ATOM 641 CB GLN A 39 -2.820 -7.068 5.329 1.00 61.41 C ATOM 642 CG GLN A 39 -1.916 -8.178 5.706 1.00 52.12 C ATOM 643 CD GLN A 39 -0.782 -7.740 6.595 1.00 44.54 C ATOM 644 OE1 GLN A 39 -0.909 -7.724 7.811 1.00 14.25 O ATOM 645 NE2 GLN A 39 0.338 -7.407 6.006 1.00 10.11 N ATOM 0 H GLN A 39 -4.161 -5.475 4.281 1.00 44.44 H new ATOM 0 HA GLN A 39 -3.549 -8.095 3.588 1.00 24.15 H new ATOM 0 HB2 GLN A 39 -2.240 -6.286 4.839 1.00 61.41 H new ATOM 0 HB3 GLN A 39 -3.245 -6.631 6.233 1.00 61.41 H new ATOM 0 HG2 GLN A 39 -2.492 -8.951 6.216 1.00 52.12 H new ATOM 0 HG3 GLN A 39 -1.508 -8.629 4.802 1.00 52.12 H new ATOM 0 HE21 GLN A 39 0.406 -7.433 4.989 1.00 10.11 H new ATOM 0 HE22 GLN A 39 1.143 -7.122 6.564 1.00 10.11 H new ATOM 654 N LYS A 40 -5.742 -7.752 5.993 1.00 74.51 N ATOM 655 CA LYS A 40 -6.748 -8.473 6.735 1.00 3.21 C ATOM 656 C LYS A 40 -7.824 -9.057 5.845 1.00 4.24 C ATOM 657 O LYS A 40 -8.278 -10.164 6.062 1.00 33.00 O ATOM 658 CB LYS A 40 -7.341 -7.641 7.852 1.00 43.53 C ATOM 659 CG LYS A 40 -6.544 -7.732 9.138 1.00 4.42 C ATOM 660 CD LYS A 40 -5.153 -7.126 9.032 1.00 21.23 C ATOM 661 CE LYS A 40 -4.343 -7.359 10.296 1.00 15.42 C ATOM 662 NZ LYS A 40 -4.948 -6.737 11.487 1.00 52.43 N ATOM 0 H LYS A 40 -5.717 -6.749 6.176 1.00 74.51 H new ATOM 0 HA LYS A 40 -6.233 -9.315 7.197 1.00 3.21 H new ATOM 0 HB2 LYS A 40 -7.393 -6.599 7.535 1.00 43.53 H new ATOM 0 HB3 LYS A 40 -8.364 -7.969 8.040 1.00 43.53 H new ATOM 0 HG2 LYS A 40 -7.093 -7.227 9.933 1.00 4.42 H new ATOM 0 HG3 LYS A 40 -6.455 -8.779 9.428 1.00 4.42 H new ATOM 0 HD2 LYS A 40 -4.631 -7.560 8.179 1.00 21.23 H new ATOM 0 HD3 LYS A 40 -5.235 -6.055 8.844 1.00 21.23 H new ATOM 0 HE2 LYS A 40 -4.242 -8.431 10.464 1.00 15.42 H new ATOM 0 HE3 LYS A 40 -3.338 -6.962 10.156 1.00 15.42 H new ATOM 0 HZ1 LYS A 40 -4.362 -6.943 12.321 1.00 52.43 H new ATOM 0 HZ2 LYS A 40 -5.006 -5.708 11.350 1.00 52.43 H new ATOM 0 HZ3 LYS A 40 -5.904 -7.121 11.632 1.00 52.43 H new ATOM 676 N GLU A 41 -8.205 -8.340 4.809 1.00 21.25 N ATOM 677 CA GLU A 41 -9.219 -8.844 3.901 1.00 21.34 C ATOM 678 C GLU A 41 -8.635 -10.040 3.140 1.00 31.13 C ATOM 679 O GLU A 41 -9.335 -10.980 2.813 1.00 15.02 O ATOM 680 CB GLU A 41 -9.698 -7.721 2.954 1.00 35.21 C ATOM 681 CG GLU A 41 -11.063 -7.944 2.267 1.00 50.54 C ATOM 682 CD GLU A 41 -11.085 -9.036 1.217 1.00 13.33 C ATOM 683 OE1 GLU A 41 -10.525 -8.828 0.123 1.00 5.43 O ATOM 684 OE2 GLU A 41 -11.688 -10.097 1.450 1.00 0.41 O ATOM 0 H GLU A 41 -7.835 -7.419 4.575 1.00 21.25 H new ATOM 0 HA GLU A 41 -10.097 -9.179 4.453 1.00 21.34 H new ATOM 0 HB2 GLU A 41 -9.748 -6.792 3.522 1.00 35.21 H new ATOM 0 HB3 GLU A 41 -8.944 -7.581 2.180 1.00 35.21 H new ATOM 0 HG2 GLU A 41 -11.802 -8.182 3.032 1.00 50.54 H new ATOM 0 HG3 GLU A 41 -11.375 -7.009 1.802 1.00 50.54 H new ATOM 691 N GLN A 42 -7.338 -10.021 2.921 1.00 25.44 N ATOM 692 CA GLN A 42 -6.700 -11.119 2.248 1.00 55.20 C ATOM 693 C GLN A 42 -6.591 -12.323 3.183 1.00 15.01 C ATOM 694 O GLN A 42 -7.125 -13.395 2.895 1.00 53.11 O ATOM 695 CB GLN A 42 -5.330 -10.737 1.698 1.00 43.42 C ATOM 696 CG GLN A 42 -5.322 -9.534 0.746 1.00 11.51 C ATOM 697 CD GLN A 42 -6.441 -9.554 -0.284 1.00 20.44 C ATOM 698 OE1 GLN A 42 -6.308 -10.118 -1.362 1.00 60.30 O ATOM 699 NE2 GLN A 42 -7.522 -8.886 0.024 1.00 4.30 N ATOM 0 H GLN A 42 -6.714 -9.263 3.198 1.00 25.44 H new ATOM 0 HA GLN A 42 -7.323 -11.388 1.395 1.00 55.20 H new ATOM 0 HB2 GLN A 42 -4.667 -10.522 2.536 1.00 43.42 H new ATOM 0 HB3 GLN A 42 -4.913 -11.597 1.174 1.00 43.42 H new ATOM 0 HG2 GLN A 42 -5.398 -8.619 1.333 1.00 11.51 H new ATOM 0 HG3 GLN A 42 -4.364 -9.501 0.227 1.00 11.51 H new ATOM 0 HE21 GLN A 42 -7.597 -8.429 0.933 1.00 4.30 H new ATOM 0 HE22 GLN A 42 -8.290 -8.822 -0.644 1.00 4.30 H new ATOM 708 N LEU A 43 -5.931 -12.132 4.308 1.00 55.42 N ATOM 709 CA LEU A 43 -5.747 -13.180 5.300 1.00 23.13 C ATOM 710 C LEU A 43 -6.270 -12.741 6.647 1.00 31.01 C ATOM 711 O LEU A 43 -5.842 -11.712 7.172 1.00 62.43 O ATOM 712 CB LEU A 43 -4.263 -13.602 5.443 1.00 2.02 C ATOM 713 CG LEU A 43 -3.699 -14.663 4.501 1.00 55.43 C ATOM 714 CD1 LEU A 43 -4.409 -15.952 4.713 1.00 44.54 C ATOM 715 CD2 LEU A 43 -3.768 -14.248 3.051 1.00 20.44 C ATOM 0 H LEU A 43 -5.504 -11.242 4.564 1.00 55.42 H new ATOM 0 HA LEU A 43 -6.313 -14.042 4.947 1.00 23.13 H new ATOM 0 HB2 LEU A 43 -3.654 -12.705 5.330 1.00 2.02 H new ATOM 0 HB3 LEU A 43 -4.120 -13.958 6.463 1.00 2.02 H new ATOM 0 HG LEU A 43 -2.642 -14.785 4.739 1.00 55.43 H new ATOM 0 HD11 LEU A 43 -4.003 -16.706 4.039 1.00 44.54 H new ATOM 0 HD12 LEU A 43 -4.273 -16.277 5.745 1.00 44.54 H new ATOM 0 HD13 LEU A 43 -5.472 -15.819 4.511 1.00 44.54 H new ATOM 0 HD21 LEU A 43 -3.354 -15.039 2.426 1.00 20.44 H new ATOM 0 HD22 LEU A 43 -4.807 -14.072 2.772 1.00 20.44 H new ATOM 0 HD23 LEU A 43 -3.193 -13.333 2.907 1.00 20.44 H new ATOM 727 N HIS A 44 -7.190 -13.536 7.193 1.00 62.02 N ATOM 728 CA HIS A 44 -7.789 -13.323 8.523 1.00 2.33 C ATOM 729 C HIS A 44 -8.505 -11.983 8.597 1.00 31.01 C ATOM 730 O HIS A 44 -7.983 -10.991 9.128 1.00 21.10 O ATOM 731 CB HIS A 44 -6.760 -13.487 9.665 1.00 3.51 C ATOM 732 CG HIS A 44 -6.145 -14.859 9.752 1.00 22.23 C ATOM 733 ND1 HIS A 44 -6.500 -15.805 10.683 1.00 61.04 N ATOM 734 CD2 HIS A 44 -5.161 -15.426 9.010 1.00 3.51 C ATOM 735 CE1 HIS A 44 -5.748 -16.884 10.489 1.00 51.44 C ATOM 736 NE2 HIS A 44 -4.912 -16.709 9.479 1.00 63.35 N ATOM 0 H HIS A 44 -7.551 -14.364 6.719 1.00 62.02 H new ATOM 0 HA HIS A 44 -8.535 -14.105 8.665 1.00 2.33 H new ATOM 0 HB2 HIS A 44 -5.965 -12.753 9.531 1.00 3.51 H new ATOM 0 HB3 HIS A 44 -7.247 -13.259 10.613 1.00 3.51 H new ATOM 0 HD2 HIS A 44 -4.651 -14.953 8.184 1.00 3.51 H new ATOM 0 HE1 HIS A 44 -5.811 -17.786 11.079 1.00 51.44 H new ATOM 0 HE2 HIS A 44 -4.229 -17.376 9.120 1.00 63.35 H new ATOM 744 N THR A 45 -9.691 -11.964 8.045 1.00 21.31 N ATOM 745 CA THR A 45 -10.466 -10.748 7.883 1.00 25.10 C ATOM 746 C THR A 45 -11.117 -10.270 9.179 1.00 4.24 C ATOM 747 O THR A 45 -11.473 -9.088 9.293 1.00 22.02 O ATOM 748 CB THR A 45 -11.497 -10.962 6.751 1.00 11.43 C ATOM 749 OG1 THR A 45 -10.788 -11.465 5.604 1.00 11.54 O ATOM 750 CG2 THR A 45 -12.202 -9.662 6.359 1.00 3.23 C ATOM 0 H THR A 45 -10.156 -12.799 7.689 1.00 21.31 H new ATOM 0 HA THR A 45 -9.787 -9.942 7.606 1.00 25.10 H new ATOM 0 HB THR A 45 -12.259 -11.658 7.101 1.00 11.43 H new ATOM 0 HG1 THR A 45 -9.871 -11.119 5.609 1.00 11.54 H new ATOM 0 HG21 THR A 45 -12.917 -9.862 5.561 1.00 3.23 H new ATOM 0 HG22 THR A 45 -12.728 -9.258 7.224 1.00 3.23 H new ATOM 0 HG23 THR A 45 -11.464 -8.938 6.013 1.00 3.23 H new ATOM 758 N LYS A 46 -11.183 -11.157 10.168 1.00 35.25 N ATOM 759 CA LYS A 46 -11.816 -10.874 11.446 1.00 41.04 C ATOM 760 C LYS A 46 -13.292 -10.541 11.260 1.00 54.03 C ATOM 761 O LYS A 46 -13.686 -9.386 11.068 1.00 64.21 O ATOM 762 CB LYS A 46 -11.067 -9.772 12.196 1.00 45.32 C ATOM 763 CG LYS A 46 -9.624 -10.128 12.529 1.00 32.42 C ATOM 764 CD LYS A 46 -9.514 -11.307 13.496 1.00 10.11 C ATOM 765 CE LYS A 46 -10.180 -11.015 14.833 1.00 33.01 C ATOM 766 NZ LYS A 46 -9.968 -12.105 15.809 1.00 52.15 N ATOM 0 H LYS A 46 -10.795 -12.098 10.101 1.00 35.25 H new ATOM 0 HA LYS A 46 -11.764 -11.772 12.062 1.00 41.04 H new ATOM 0 HB2 LYS A 46 -11.078 -8.863 11.594 1.00 45.32 H new ATOM 0 HB3 LYS A 46 -11.599 -9.548 13.121 1.00 45.32 H new ATOM 0 HG2 LYS A 46 -9.092 -10.368 11.608 1.00 32.42 H new ATOM 0 HG3 LYS A 46 -9.131 -9.259 12.965 1.00 32.42 H new ATOM 0 HD2 LYS A 46 -9.974 -12.188 13.047 1.00 10.11 H new ATOM 0 HD3 LYS A 46 -8.463 -11.544 13.659 1.00 10.11 H new ATOM 0 HE2 LYS A 46 -9.785 -10.084 15.239 1.00 33.01 H new ATOM 0 HE3 LYS A 46 -11.249 -10.868 14.681 1.00 33.01 H new ATOM 0 HZ1 LYS A 46 -10.438 -11.865 16.705 1.00 52.15 H new ATOM 0 HZ2 LYS A 46 -10.368 -12.989 15.434 1.00 52.15 H new ATOM 0 HZ3 LYS A 46 -8.949 -12.229 15.975 1.00 52.15 H new ATOM 780 N GLY A 47 -14.082 -11.558 11.280 1.00 52.41 N ATOM 781 CA GLY A 47 -15.475 -11.422 11.028 1.00 1.14 C ATOM 782 C GLY A 47 -15.803 -12.045 9.713 1.00 23.15 C ATOM 783 O GLY A 47 -15.025 -12.866 9.205 1.00 43.32 O ATOM 0 H GLY A 47 -13.779 -12.513 11.473 1.00 52.41 H new ATOM 0 HA2 GLY A 47 -16.048 -11.900 11.823 1.00 1.14 H new ATOM 0 HA3 GLY A 47 -15.754 -10.368 11.024 1.00 1.14 H new ATOM 787 N ARG A 48 -16.904 -11.674 9.140 1.00 22.12 N ATOM 788 CA ARG A 48 -17.296 -12.203 7.901 1.00 51.42 C ATOM 789 C ARG A 48 -16.828 -11.343 6.747 1.00 54.44 C ATOM 790 O ARG A 48 -16.727 -10.109 6.866 1.00 51.03 O ATOM 791 CB ARG A 48 -18.788 -12.367 7.844 1.00 24.21 C ATOM 792 CG ARG A 48 -19.312 -13.566 8.578 1.00 74.13 C ATOM 793 CD ARG A 48 -20.787 -13.723 8.335 1.00 24.14 C ATOM 794 NE ARG A 48 -21.304 -14.971 8.883 1.00 1.52 N ATOM 795 CZ ARG A 48 -22.470 -15.520 8.542 1.00 53.24 C ATOM 796 NH1 ARG A 48 -23.297 -14.878 7.717 1.00 1.34 N ATOM 797 NH2 ARG A 48 -22.807 -16.706 9.030 1.00 32.21 N ATOM 0 H ARG A 48 -17.551 -10.990 9.533 1.00 22.12 H new ATOM 0 HA ARG A 48 -16.823 -13.180 7.804 1.00 51.42 H new ATOM 0 HB2 ARG A 48 -19.255 -11.472 8.256 1.00 24.21 H new ATOM 0 HB3 ARG A 48 -19.094 -12.434 6.800 1.00 24.21 H new ATOM 0 HG2 ARG A 48 -18.785 -14.461 8.249 1.00 74.13 H new ATOM 0 HG3 ARG A 48 -19.122 -13.459 9.646 1.00 74.13 H new ATOM 0 HD2 ARG A 48 -21.319 -12.883 8.782 1.00 24.14 H new ATOM 0 HD3 ARG A 48 -20.983 -13.690 7.263 1.00 24.14 H new ATOM 0 HE ARG A 48 -20.734 -15.458 9.575 1.00 1.52 H new ATOM 0 HH11 ARG A 48 -23.038 -13.964 7.345 1.00 1.34 H new ATOM 0 HH12 ARG A 48 -24.188 -15.301 7.458 1.00 1.34 H new ATOM 0 HH21 ARG A 48 -22.175 -17.195 9.664 1.00 32.21 H new ATOM 0 HH22 ARG A 48 -23.698 -17.129 8.771 1.00 32.21 H new ATOM 811 N PRO A 49 -16.480 -11.976 5.634 1.00 50.40 N ATOM 812 CA PRO A 49 -16.123 -11.281 4.435 1.00 71.32 C ATOM 813 C PRO A 49 -17.353 -10.956 3.598 1.00 72.53 C ATOM 814 O PRO A 49 -18.034 -11.842 3.046 1.00 44.32 O ATOM 815 CB PRO A 49 -15.196 -12.249 3.717 1.00 60.10 C ATOM 816 CG PRO A 49 -15.616 -13.613 4.172 1.00 33.21 C ATOM 817 CD PRO A 49 -16.367 -13.440 5.470 1.00 43.23 C ATOM 0 HA PRO A 49 -15.649 -10.319 4.630 1.00 71.32 H new ATOM 0 HB2 PRO A 49 -15.286 -12.150 2.635 1.00 60.10 H new ATOM 0 HB3 PRO A 49 -14.153 -12.055 3.969 1.00 60.10 H new ATOM 0 HG2 PRO A 49 -16.248 -14.091 3.423 1.00 33.21 H new ATOM 0 HG3 PRO A 49 -14.747 -14.256 4.313 1.00 33.21 H new ATOM 0 HD2 PRO A 49 -17.348 -13.912 5.428 1.00 43.23 H new ATOM 0 HD3 PRO A 49 -15.831 -13.893 6.303 1.00 43.23 H new ATOM 825 N PHE A 50 -17.657 -9.710 3.552 1.00 64.32 N ATOM 826 CA PHE A 50 -18.754 -9.214 2.798 1.00 71.14 C ATOM 827 C PHE A 50 -18.162 -8.402 1.670 1.00 71.11 C ATOM 828 O PHE A 50 -17.872 -7.206 1.839 1.00 43.53 O ATOM 829 CB PHE A 50 -19.644 -8.354 3.707 1.00 62.44 C ATOM 830 CG PHE A 50 -20.970 -7.933 3.121 1.00 70.31 C ATOM 831 CD1 PHE A 50 -21.094 -6.749 2.416 1.00 44.42 C ATOM 832 CD2 PHE A 50 -22.097 -8.716 3.297 1.00 14.23 C ATOM 833 CE1 PHE A 50 -22.309 -6.360 1.893 1.00 45.35 C ATOM 834 CE2 PHE A 50 -23.316 -8.329 2.778 1.00 0.30 C ATOM 835 CZ PHE A 50 -23.420 -7.151 2.075 1.00 43.43 C ATOM 0 H PHE A 50 -17.138 -8.987 4.050 1.00 64.32 H new ATOM 0 HA PHE A 50 -19.378 -10.013 2.397 1.00 71.14 H new ATOM 0 HB2 PHE A 50 -19.834 -8.908 4.627 1.00 62.44 H new ATOM 0 HB3 PHE A 50 -19.089 -7.457 3.984 1.00 62.44 H new ATOM 0 HD1 PHE A 50 -20.227 -6.121 2.273 1.00 44.42 H new ATOM 0 HD2 PHE A 50 -22.022 -9.642 3.848 1.00 14.23 H new ATOM 0 HE1 PHE A 50 -22.389 -5.435 1.341 1.00 45.35 H new ATOM 0 HE2 PHE A 50 -24.187 -8.950 2.924 1.00 0.30 H new ATOM 0 HZ PHE A 50 -24.373 -6.847 1.666 1.00 43.43 H new ATOM 845 N ARG A 51 -17.899 -9.081 0.560 1.00 25.00 N ATOM 846 CA ARG A 51 -17.243 -8.506 -0.602 1.00 73.43 C ATOM 847 C ARG A 51 -15.749 -8.245 -0.363 1.00 71.32 C ATOM 848 O ARG A 51 -15.332 -7.675 0.662 1.00 1.44 O ATOM 849 CB ARG A 51 -18.047 -7.304 -1.184 1.00 4.54 C ATOM 850 CG ARG A 51 -17.299 -6.341 -2.092 1.00 42.24 C ATOM 851 CD ARG A 51 -16.533 -5.334 -1.260 1.00 4.53 C ATOM 852 NE ARG A 51 -15.775 -4.389 -2.051 1.00 23.44 N ATOM 853 CZ ARG A 51 -16.138 -3.122 -2.257 1.00 75.10 C ATOM 854 NH1 ARG A 51 -17.314 -2.678 -1.838 1.00 63.35 N ATOM 855 NH2 ARG A 51 -15.324 -2.303 -2.865 1.00 74.22 N ATOM 0 H ARG A 51 -18.141 -10.065 0.443 1.00 25.00 H new ATOM 0 HA ARG A 51 -17.251 -9.251 -1.397 1.00 73.43 H new ATOM 0 HB2 ARG A 51 -18.895 -7.703 -1.740 1.00 4.54 H new ATOM 0 HB3 ARG A 51 -18.454 -6.734 -0.349 1.00 4.54 H new ATOM 0 HG2 ARG A 51 -16.612 -6.893 -2.734 1.00 42.24 H new ATOM 0 HG3 ARG A 51 -18.002 -5.825 -2.746 1.00 42.24 H new ATOM 0 HD2 ARG A 51 -17.234 -4.788 -0.629 1.00 4.53 H new ATOM 0 HD3 ARG A 51 -15.853 -5.866 -0.595 1.00 4.53 H new ATOM 0 HE ARG A 51 -14.907 -4.712 -2.479 1.00 23.44 H new ATOM 0 HH11 ARG A 51 -17.953 -3.307 -1.352 1.00 63.35 H new ATOM 0 HH12 ARG A 51 -17.580 -1.707 -2.001 1.00 63.35 H new ATOM 0 HH21 ARG A 51 -14.412 -2.632 -3.182 1.00 74.22 H new ATOM 0 HH22 ARG A 51 -15.600 -1.334 -3.023 1.00 74.22 H new ATOM 869 N GLY A 52 -14.966 -8.653 -1.313 1.00 54.51 N ATOM 870 CA GLY A 52 -13.544 -8.543 -1.212 1.00 71.12 C ATOM 871 C GLY A 52 -13.031 -7.197 -1.645 1.00 0.43 C ATOM 872 O GLY A 52 -13.677 -6.488 -2.446 1.00 63.11 O ATOM 0 H GLY A 52 -15.296 -9.073 -2.182 1.00 54.51 H new ATOM 0 HA2 GLY A 52 -13.242 -8.727 -0.181 1.00 71.12 H new ATOM 0 HA3 GLY A 52 -13.080 -9.317 -1.823 1.00 71.12 H new ATOM 876 N MET A 53 -11.892 -6.851 -1.141 1.00 3.43 N ATOM 877 CA MET A 53 -11.247 -5.634 -1.428 1.00 61.40 C ATOM 878 C MET A 53 -10.381 -5.886 -2.628 1.00 35.44 C ATOM 879 O MET A 53 -9.347 -6.548 -2.537 1.00 25.43 O ATOM 880 CB MET A 53 -10.391 -5.248 -0.237 1.00 12.14 C ATOM 881 CG MET A 53 -9.954 -3.838 -0.257 1.00 53.52 C ATOM 882 SD MET A 53 -8.823 -3.458 1.069 1.00 32.02 S ATOM 883 CE MET A 53 -8.673 -1.688 0.864 1.00 62.51 C ATOM 0 H MET A 53 -11.372 -7.441 -0.492 1.00 3.43 H new ATOM 0 HA MET A 53 -11.954 -4.828 -1.625 1.00 61.40 H new ATOM 0 HB2 MET A 53 -10.952 -5.433 0.679 1.00 12.14 H new ATOM 0 HB3 MET A 53 -9.512 -5.892 -0.208 1.00 12.14 H new ATOM 0 HG2 MET A 53 -9.475 -3.622 -1.212 1.00 53.52 H new ATOM 0 HG3 MET A 53 -10.827 -3.189 -0.184 1.00 53.52 H new ATOM 0 HE1 MET A 53 -7.631 -1.394 0.989 1.00 62.51 H new ATOM 0 HE2 MET A 53 -9.012 -1.407 -0.133 1.00 62.51 H new ATOM 0 HE3 MET A 53 -9.285 -1.182 1.611 1.00 62.51 H new ATOM 893 N SER A 54 -10.833 -5.446 -3.754 1.00 25.20 N ATOM 894 CA SER A 54 -10.115 -5.676 -4.972 1.00 44.33 C ATOM 895 C SER A 54 -8.991 -4.671 -5.057 1.00 53.32 C ATOM 896 O SER A 54 -9.133 -3.550 -4.553 1.00 11.43 O ATOM 897 CB SER A 54 -11.095 -5.549 -6.119 1.00 22.55 C ATOM 898 OG SER A 54 -12.239 -6.359 -5.836 1.00 42.23 O ATOM 0 H SER A 54 -11.701 -4.921 -3.861 1.00 25.20 H new ATOM 0 HA SER A 54 -9.673 -6.671 -5.012 1.00 44.33 H new ATOM 0 HB2 SER A 54 -11.392 -4.508 -6.249 1.00 22.55 H new ATOM 0 HB3 SER A 54 -10.629 -5.866 -7.052 1.00 22.55 H new ATOM 0 HG SER A 54 -12.883 -6.284 -6.571 1.00 42.23 H new ATOM 904 N GLU A 55 -7.895 -5.031 -5.694 1.00 35.01 N ATOM 905 CA GLU A 55 -6.753 -4.180 -5.714 1.00 32.41 C ATOM 906 C GLU A 55 -7.015 -2.853 -6.420 1.00 33.02 C ATOM 907 O GLU A 55 -6.336 -1.879 -6.171 1.00 61.42 O ATOM 908 CB GLU A 55 -5.475 -4.903 -6.155 1.00 44.01 C ATOM 909 CG GLU A 55 -4.952 -4.551 -7.509 1.00 11.44 C ATOM 910 CD GLU A 55 -5.769 -5.133 -8.633 1.00 33.54 C ATOM 911 OE1 GLU A 55 -5.726 -6.363 -8.832 1.00 33.31 O ATOM 912 OE2 GLU A 55 -6.457 -4.372 -9.357 1.00 11.20 O ATOM 0 H GLU A 55 -7.784 -5.909 -6.200 1.00 35.01 H new ATOM 0 HA GLU A 55 -6.556 -3.900 -4.679 1.00 32.41 H new ATOM 0 HB2 GLU A 55 -4.695 -4.697 -5.422 1.00 44.01 H new ATOM 0 HB3 GLU A 55 -5.662 -5.976 -6.128 1.00 44.01 H new ATOM 0 HG2 GLU A 55 -4.928 -3.466 -7.611 1.00 11.44 H new ATOM 0 HG3 GLU A 55 -3.924 -4.902 -7.596 1.00 11.44 H new ATOM 919 N GLU A 56 -8.005 -2.831 -7.292 1.00 0.32 N ATOM 920 CA GLU A 56 -8.406 -1.625 -7.977 1.00 34.32 C ATOM 921 C GLU A 56 -8.945 -0.585 -6.987 1.00 72.45 C ATOM 922 O GLU A 56 -8.590 0.593 -7.067 1.00 54.23 O ATOM 923 CB GLU A 56 -9.452 -1.946 -9.028 1.00 32.12 C ATOM 924 CG GLU A 56 -9.863 -0.758 -9.866 1.00 2.02 C ATOM 925 CD GLU A 56 -10.827 -1.136 -10.942 1.00 62.45 C ATOM 926 OE1 GLU A 56 -10.403 -1.794 -11.911 1.00 32.53 O ATOM 927 OE2 GLU A 56 -12.037 -0.798 -10.838 1.00 13.01 O ATOM 0 H GLU A 56 -8.553 -3.654 -7.543 1.00 0.32 H new ATOM 0 HA GLU A 56 -7.530 -1.201 -8.468 1.00 34.32 H new ATOM 0 HB2 GLU A 56 -9.065 -2.725 -9.685 1.00 32.12 H new ATOM 0 HB3 GLU A 56 -10.335 -2.353 -8.535 1.00 32.12 H new ATOM 0 HG2 GLU A 56 -10.315 -0.001 -9.225 1.00 2.02 H new ATOM 0 HG3 GLU A 56 -8.978 -0.308 -10.315 1.00 2.02 H new ATOM 934 N GLU A 57 -9.753 -1.025 -6.017 1.00 14.10 N ATOM 935 CA GLU A 57 -10.330 -0.101 -5.047 1.00 5.52 C ATOM 936 C GLU A 57 -9.239 0.330 -4.084 1.00 13.11 C ATOM 937 O GLU A 57 -9.196 1.462 -3.614 1.00 11.33 O ATOM 938 CB GLU A 57 -11.505 -0.740 -4.313 1.00 11.34 C ATOM 939 CG GLU A 57 -11.115 -1.653 -3.195 1.00 61.14 C ATOM 940 CD GLU A 57 -12.281 -2.297 -2.551 1.00 42.32 C ATOM 941 OE1 GLU A 57 -12.799 -3.302 -3.103 1.00 33.22 O ATOM 942 OE2 GLU A 57 -12.747 -1.803 -1.499 1.00 21.53 O ATOM 0 H GLU A 57 -10.017 -2.002 -5.887 1.00 14.10 H new ATOM 0 HA GLU A 57 -10.723 0.776 -5.561 1.00 5.52 H new ATOM 0 HB2 GLU A 57 -12.141 0.050 -3.915 1.00 11.34 H new ATOM 0 HB3 GLU A 57 -12.104 -1.300 -5.031 1.00 11.34 H new ATOM 0 HG2 GLU A 57 -10.445 -2.423 -3.577 1.00 61.14 H new ATOM 0 HG3 GLU A 57 -10.558 -1.088 -2.447 1.00 61.14 H new ATOM 949 N VAL A 58 -8.321 -0.580 -3.877 1.00 54.13 N ATOM 950 CA VAL A 58 -7.183 -0.391 -3.056 1.00 3.41 C ATOM 951 C VAL A 58 -6.281 0.659 -3.670 1.00 65.13 C ATOM 952 O VAL A 58 -5.962 1.665 -3.040 1.00 51.34 O ATOM 953 CB VAL A 58 -6.478 -1.742 -2.930 1.00 22.24 C ATOM 954 CG1 VAL A 58 -5.077 -1.635 -2.390 1.00 21.33 C ATOM 955 CG2 VAL A 58 -7.312 -2.625 -2.060 1.00 40.24 C ATOM 0 H VAL A 58 -8.361 -1.507 -4.300 1.00 54.13 H new ATOM 0 HA VAL A 58 -7.461 -0.035 -2.064 1.00 3.41 H new ATOM 0 HB VAL A 58 -6.375 -2.165 -3.929 1.00 22.24 H new ATOM 0 HG11 VAL A 58 -4.635 -2.629 -2.326 1.00 21.33 H new ATOM 0 HG12 VAL A 58 -4.477 -1.013 -3.055 1.00 21.33 H new ATOM 0 HG13 VAL A 58 -5.103 -1.185 -1.398 1.00 21.33 H new ATOM 0 HG21 VAL A 58 -6.827 -3.596 -1.956 1.00 40.24 H new ATOM 0 HG22 VAL A 58 -7.423 -2.168 -1.077 1.00 40.24 H new ATOM 0 HG23 VAL A 58 -8.295 -2.757 -2.512 1.00 40.24 H new ATOM 965 N PHE A 59 -5.943 0.445 -4.931 1.00 64.25 N ATOM 966 CA PHE A 59 -5.125 1.351 -5.699 1.00 21.45 C ATOM 967 C PHE A 59 -5.786 2.710 -5.759 1.00 74.15 C ATOM 968 O PHE A 59 -5.114 3.706 -5.737 1.00 32.21 O ATOM 969 CB PHE A 59 -4.886 0.791 -7.116 1.00 4.13 C ATOM 970 CG PHE A 59 -4.023 1.661 -8.002 1.00 44.01 C ATOM 971 CD1 PHE A 59 -2.645 1.643 -7.879 1.00 41.13 C ATOM 972 CD2 PHE A 59 -4.596 2.494 -8.960 1.00 33.05 C ATOM 973 CE1 PHE A 59 -1.851 2.435 -8.688 1.00 55.22 C ATOM 974 CE2 PHE A 59 -3.807 3.286 -9.769 1.00 73.52 C ATOM 975 CZ PHE A 59 -2.433 3.257 -9.633 1.00 13.33 C ATOM 0 H PHE A 59 -6.238 -0.380 -5.453 1.00 64.25 H new ATOM 0 HA PHE A 59 -4.155 1.457 -5.213 1.00 21.45 H new ATOM 0 HB2 PHE A 59 -4.421 -0.191 -7.030 1.00 4.13 H new ATOM 0 HB3 PHE A 59 -5.851 0.645 -7.602 1.00 4.13 H new ATOM 0 HD1 PHE A 59 -2.184 1.002 -7.142 1.00 41.13 H new ATOM 0 HD2 PHE A 59 -5.670 2.520 -9.071 1.00 33.05 H new ATOM 0 HE1 PHE A 59 -0.777 2.411 -8.581 1.00 55.22 H new ATOM 0 HE2 PHE A 59 -4.264 3.928 -10.508 1.00 73.52 H new ATOM 0 HZ PHE A 59 -1.814 3.877 -10.265 1.00 13.33 H new ATOM 985 N THR A 60 -7.109 2.727 -5.780 1.00 61.34 N ATOM 986 CA THR A 60 -7.859 3.901 -5.787 1.00 64.52 C ATOM 987 C THR A 60 -7.591 4.746 -4.535 1.00 22.20 C ATOM 988 O THR A 60 -7.233 5.906 -4.659 1.00 74.23 O ATOM 989 CB THR A 60 -9.339 3.537 -5.913 1.00 63.33 C ATOM 990 OG1 THR A 60 -9.618 3.052 -7.240 1.00 60.42 O ATOM 991 CG2 THR A 60 -10.208 4.684 -5.584 1.00 32.14 C ATOM 0 H THR A 60 -7.677 1.880 -5.793 1.00 61.34 H new ATOM 0 HA THR A 60 -7.565 4.513 -6.640 1.00 64.52 H new ATOM 0 HB THR A 60 -9.555 2.746 -5.195 1.00 63.33 H new ATOM 0 HG1 THR A 60 -9.101 2.236 -7.405 1.00 60.42 H new ATOM 0 HG21 THR A 60 -11.253 4.389 -5.684 1.00 32.14 H new ATOM 0 HG22 THR A 60 -10.017 5.003 -4.559 1.00 32.14 H new ATOM 0 HG23 THR A 60 -9.996 5.508 -6.265 1.00 32.14 H new ATOM 999 N GLU A 61 -7.693 4.151 -3.345 1.00 55.20 N ATOM 1000 CA GLU A 61 -7.505 4.912 -2.122 1.00 42.34 C ATOM 1001 C GLU A 61 -6.057 5.353 -1.969 1.00 52.20 C ATOM 1002 O GLU A 61 -5.779 6.421 -1.424 1.00 21.13 O ATOM 1003 CB GLU A 61 -7.960 4.131 -0.898 1.00 12.31 C ATOM 1004 CG GLU A 61 -9.395 3.706 -0.961 1.00 72.25 C ATOM 1005 CD GLU A 61 -9.927 3.209 0.354 1.00 34.14 C ATOM 1006 OE1 GLU A 61 -9.813 2.012 0.655 1.00 72.12 O ATOM 1007 OE2 GLU A 61 -10.506 4.027 1.112 1.00 0.30 O ATOM 0 H GLU A 61 -7.901 3.162 -3.209 1.00 55.20 H new ATOM 0 HA GLU A 61 -8.129 5.803 -2.197 1.00 42.34 H new ATOM 0 HB2 GLU A 61 -7.332 3.247 -0.786 1.00 12.31 H new ATOM 0 HB3 GLU A 61 -7.809 4.743 -0.009 1.00 12.31 H new ATOM 0 HG2 GLU A 61 -10.001 4.548 -1.295 1.00 72.25 H new ATOM 0 HG3 GLU A 61 -9.501 2.920 -1.708 1.00 72.25 H new ATOM 1014 N VAL A 62 -5.156 4.546 -2.481 1.00 43.14 N ATOM 1015 CA VAL A 62 -3.731 4.834 -2.436 1.00 55.45 C ATOM 1016 C VAL A 62 -3.367 5.924 -3.453 1.00 41.44 C ATOM 1017 O VAL A 62 -2.597 6.836 -3.150 1.00 63.10 O ATOM 1018 CB VAL A 62 -2.911 3.554 -2.685 1.00 23.34 C ATOM 1019 CG1 VAL A 62 -1.431 3.821 -2.581 1.00 55.21 C ATOM 1020 CG2 VAL A 62 -3.313 2.497 -1.689 1.00 54.33 C ATOM 0 H VAL A 62 -5.387 3.667 -2.943 1.00 43.14 H new ATOM 0 HA VAL A 62 -3.486 5.205 -1.441 1.00 55.45 H new ATOM 0 HB VAL A 62 -3.118 3.206 -3.697 1.00 23.34 H new ATOM 0 HG11 VAL A 62 -0.881 2.897 -2.762 1.00 55.21 H new ATOM 0 HG12 VAL A 62 -1.143 4.566 -3.322 1.00 55.21 H new ATOM 0 HG13 VAL A 62 -1.198 4.193 -1.583 1.00 55.21 H new ATOM 0 HG21 VAL A 62 -2.733 1.591 -1.865 1.00 54.33 H new ATOM 0 HG22 VAL A 62 -3.123 2.858 -0.678 1.00 54.33 H new ATOM 0 HG23 VAL A 62 -4.374 2.276 -1.802 1.00 54.33 H new ATOM 1030 N ALA A 63 -3.955 5.846 -4.636 1.00 41.34 N ATOM 1031 CA ALA A 63 -3.764 6.862 -5.677 1.00 42.21 C ATOM 1032 C ALA A 63 -4.384 8.159 -5.231 1.00 72.41 C ATOM 1033 O ALA A 63 -3.944 9.228 -5.591 1.00 23.44 O ATOM 1034 CB ALA A 63 -4.356 6.411 -7.003 1.00 62.14 C ATOM 0 H ALA A 63 -4.576 5.084 -4.908 1.00 41.34 H new ATOM 0 HA ALA A 63 -2.695 7.008 -5.831 1.00 42.21 H new ATOM 0 HB1 ALA A 63 -4.198 7.185 -7.754 1.00 62.14 H new ATOM 0 HB2 ALA A 63 -3.870 5.490 -7.324 1.00 62.14 H new ATOM 0 HB3 ALA A 63 -5.425 6.234 -6.883 1.00 62.14 H new ATOM 1040 N ASN A 64 -5.418 8.026 -4.459 1.00 71.40 N ATOM 1041 CA ASN A 64 -6.096 9.120 -3.810 1.00 41.24 C ATOM 1042 C ASN A 64 -5.249 9.713 -2.696 1.00 42.52 C ATOM 1043 O ASN A 64 -5.330 10.906 -2.418 1.00 44.03 O ATOM 1044 CB ASN A 64 -7.428 8.600 -3.285 1.00 45.14 C ATOM 1045 CG ASN A 64 -7.977 9.303 -2.070 1.00 73.42 C ATOM 1046 OD1 ASN A 64 -8.694 10.294 -2.172 1.00 2.44 O ATOM 1047 ND2 ASN A 64 -7.682 8.760 -0.913 1.00 43.32 N ATOM 0 H ASN A 64 -5.834 7.118 -4.252 1.00 71.40 H new ATOM 0 HA ASN A 64 -6.270 9.926 -4.522 1.00 41.24 H new ATOM 0 HB2 ASN A 64 -8.164 8.671 -4.085 1.00 45.14 H new ATOM 0 HB3 ASN A 64 -7.315 7.542 -3.048 1.00 45.14 H new ATOM 0 HD21 ASN A 64 -8.053 9.162 -0.052 1.00 43.32 H new ATOM 0 HD22 ASN A 64 -7.082 7.936 -0.874 1.00 43.32 H new ATOM 1054 N LEU A 65 -4.437 8.882 -2.072 1.00 1.11 N ATOM 1055 CA LEU A 65 -3.598 9.306 -0.988 1.00 24.12 C ATOM 1056 C LEU A 65 -2.413 10.086 -1.563 1.00 31.33 C ATOM 1057 O LEU A 65 -2.217 11.269 -1.283 1.00 71.51 O ATOM 1058 CB LEU A 65 -3.035 8.082 -0.254 1.00 10.13 C ATOM 1059 CG LEU A 65 -2.857 8.199 1.262 1.00 2.14 C ATOM 1060 CD1 LEU A 65 -2.950 9.610 1.737 1.00 41.21 C ATOM 1061 CD2 LEU A 65 -3.869 7.390 1.965 1.00 74.20 C ATOM 0 H LEU A 65 -4.346 7.894 -2.309 1.00 1.11 H new ATOM 0 HA LEU A 65 -4.183 9.919 -0.302 1.00 24.12 H new ATOM 0 HB2 LEU A 65 -3.693 7.236 -0.453 1.00 10.13 H new ATOM 0 HB3 LEU A 65 -2.066 7.842 -0.691 1.00 10.13 H new ATOM 0 HG LEU A 65 -1.857 7.828 1.487 1.00 2.14 H new ATOM 0 HD11 LEU A 65 -2.817 9.639 2.818 1.00 41.21 H new ATOM 0 HD12 LEU A 65 -2.173 10.207 1.260 1.00 41.21 H new ATOM 0 HD13 LEU A 65 -3.928 10.017 1.480 1.00 41.21 H new ATOM 0 HD21 LEU A 65 -3.727 7.485 3.042 1.00 74.20 H new ATOM 0 HD22 LEU A 65 -4.866 7.741 1.698 1.00 74.20 H new ATOM 0 HD23 LEU A 65 -3.764 6.344 1.676 1.00 74.20 H new ATOM 1073 N PHE A 66 -1.670 9.425 -2.429 1.00 52.50 N ATOM 1074 CA PHE A 66 -0.459 9.989 -2.997 1.00 52.24 C ATOM 1075 C PHE A 66 -0.766 10.608 -4.349 1.00 54.14 C ATOM 1076 O PHE A 66 0.044 10.528 -5.276 1.00 34.10 O ATOM 1077 CB PHE A 66 0.597 8.888 -3.170 1.00 25.44 C ATOM 1078 CG PHE A 66 0.856 8.065 -1.931 1.00 2.11 C ATOM 1079 CD1 PHE A 66 1.111 8.672 -0.717 1.00 62.25 C ATOM 1080 CD2 PHE A 66 0.825 6.685 -1.987 1.00 3.12 C ATOM 1081 CE1 PHE A 66 1.337 7.923 0.417 1.00 55.41 C ATOM 1082 CE2 PHE A 66 1.051 5.930 -0.856 1.00 43.12 C ATOM 1083 CZ PHE A 66 1.307 6.550 0.346 1.00 4.12 C ATOM 0 H PHE A 66 -1.887 8.484 -2.759 1.00 52.50 H new ATOM 0 HA PHE A 66 -0.076 10.756 -2.324 1.00 52.24 H new ATOM 0 HB2 PHE A 66 0.280 8.222 -3.973 1.00 25.44 H new ATOM 0 HB3 PHE A 66 1.533 9.347 -3.487 1.00 25.44 H new ATOM 0 HD1 PHE A 66 1.134 9.750 -0.656 1.00 62.25 H new ATOM 0 HD2 PHE A 66 0.622 6.193 -2.926 1.00 3.12 H new ATOM 0 HE1 PHE A 66 1.537 8.413 1.359 1.00 55.41 H new ATOM 0 HE2 PHE A 66 1.027 4.852 -0.913 1.00 43.12 H new ATOM 0 HZ PHE A 66 1.484 5.959 1.232 1.00 4.12 H new ATOM 1093 N ARG A 67 -1.918 11.255 -4.435 1.00 3.25 N ATOM 1094 CA ARG A 67 -2.367 11.909 -5.632 1.00 10.31 C ATOM 1095 C ARG A 67 -1.390 13.003 -6.080 1.00 12.13 C ATOM 1096 O ARG A 67 -1.292 14.086 -5.479 1.00 52.21 O ATOM 1097 CB ARG A 67 -3.798 12.428 -5.444 1.00 41.33 C ATOM 1098 CG ARG A 67 -4.006 13.367 -4.262 1.00 54.50 C ATOM 1099 CD ARG A 67 -5.477 13.667 -4.071 1.00 51.02 C ATOM 1100 NE ARG A 67 -5.729 14.588 -2.955 1.00 0.24 N ATOM 1101 CZ ARG A 67 -6.573 14.344 -1.935 1.00 32.32 C ATOM 1102 NH1 ARG A 67 -6.963 13.101 -1.679 1.00 24.21 N ATOM 1103 NH2 ARG A 67 -6.937 15.327 -1.117 1.00 1.44 N ATOM 0 H ARG A 67 -2.571 11.336 -3.656 1.00 3.25 H new ATOM 0 HA ARG A 67 -2.387 11.181 -6.443 1.00 10.31 H new ATOM 0 HB2 ARG A 67 -4.100 12.946 -6.354 1.00 41.33 H new ATOM 0 HB3 ARG A 67 -4.464 11.573 -5.328 1.00 41.33 H new ATOM 0 HG2 ARG A 67 -3.601 12.915 -3.356 1.00 54.50 H new ATOM 0 HG3 ARG A 67 -3.459 14.295 -4.427 1.00 54.50 H new ATOM 0 HD2 ARG A 67 -5.878 14.097 -4.989 1.00 51.02 H new ATOM 0 HD3 ARG A 67 -6.014 12.735 -3.895 1.00 51.02 H new ATOM 0 HE ARG A 67 -5.228 15.477 -2.953 1.00 0.24 H new ATOM 0 HH11 ARG A 67 -6.623 12.331 -2.255 1.00 24.21 H new ATOM 0 HH12 ARG A 67 -7.602 12.916 -0.906 1.00 24.21 H new ATOM 0 HH21 ARG A 67 -6.577 16.270 -1.261 1.00 1.44 H new ATOM 0 HH22 ARG A 67 -7.577 15.138 -0.345 1.00 1.44 H new ATOM 1117 N GLY A 68 -0.651 12.692 -7.108 1.00 71.41 N ATOM 1118 CA GLY A 68 0.353 13.574 -7.602 1.00 10.01 C ATOM 1119 C GLY A 68 1.633 12.821 -7.832 1.00 10.11 C ATOM 1120 O GLY A 68 2.363 13.081 -8.784 1.00 71.21 O ATOM 0 H GLY A 68 -0.733 11.816 -7.624 1.00 71.41 H new ATOM 0 HA2 GLY A 68 0.019 14.033 -8.533 1.00 10.01 H new ATOM 0 HA3 GLY A 68 0.520 14.382 -6.890 1.00 10.01 H new ATOM 1124 N GLN A 69 1.907 11.876 -6.963 1.00 35.35 N ATOM 1125 CA GLN A 69 3.082 11.068 -7.061 1.00 52.35 C ATOM 1126 C GLN A 69 2.788 9.777 -7.793 1.00 12.44 C ATOM 1127 O GLN A 69 2.551 8.745 -7.168 1.00 11.00 O ATOM 1128 CB GLN A 69 3.582 10.745 -5.677 1.00 54.11 C ATOM 1129 CG GLN A 69 3.931 11.955 -4.852 1.00 64.43 C ATOM 1130 CD GLN A 69 5.127 12.690 -5.358 1.00 1.34 C ATOM 1131 OE1 GLN A 69 6.262 12.379 -5.011 1.00 31.04 O ATOM 1132 NE2 GLN A 69 4.899 13.674 -6.140 1.00 73.01 N ATOM 0 H GLN A 69 1.312 11.651 -6.166 1.00 35.35 H new ATOM 0 HA GLN A 69 3.838 11.623 -7.617 1.00 52.35 H new ATOM 0 HB2 GLN A 69 2.820 10.168 -5.152 1.00 54.11 H new ATOM 0 HB3 GLN A 69 4.463 10.109 -5.760 1.00 54.11 H new ATOM 0 HG2 GLN A 69 3.077 12.633 -4.835 1.00 64.43 H new ATOM 0 HG3 GLN A 69 4.113 11.644 -3.823 1.00 64.43 H new ATOM 0 HE21 GLN A 69 3.941 13.902 -6.406 1.00 73.01 H new ATOM 0 HE22 GLN A 69 5.675 14.231 -6.498 1.00 73.01 H new ATOM 1141 N GLU A 70 2.784 9.827 -9.113 1.00 71.20 N ATOM 1142 CA GLU A 70 2.515 8.634 -9.920 1.00 53.45 C ATOM 1143 C GLU A 70 3.567 7.576 -9.699 1.00 73.05 C ATOM 1144 O GLU A 70 3.284 6.388 -9.799 1.00 44.30 O ATOM 1145 CB GLU A 70 2.463 8.955 -11.385 1.00 10.33 C ATOM 1146 CG GLU A 70 1.346 9.861 -11.790 1.00 52.31 C ATOM 1147 CD GLU A 70 1.362 10.080 -13.265 1.00 21.42 C ATOM 1148 OE1 GLU A 70 2.088 10.989 -13.732 1.00 1.33 O ATOM 1149 OE2 GLU A 70 0.704 9.317 -14.001 1.00 12.24 O ATOM 0 H GLU A 70 2.962 10.673 -9.654 1.00 71.20 H new ATOM 0 HA GLU A 70 1.543 8.259 -9.600 1.00 53.45 H new ATOM 0 HB2 GLU A 70 3.408 9.414 -11.675 1.00 10.33 H new ATOM 0 HB3 GLU A 70 2.377 8.023 -11.944 1.00 10.33 H new ATOM 0 HG2 GLU A 70 0.392 9.428 -11.491 1.00 52.31 H new ATOM 0 HG3 GLU A 70 1.439 10.816 -11.273 1.00 52.31 H new ATOM 1156 N ASP A 71 4.767 8.016 -9.392 1.00 62.13 N ATOM 1157 CA ASP A 71 5.893 7.126 -9.148 1.00 12.44 C ATOM 1158 C ASP A 71 5.578 6.176 -7.996 1.00 73.31 C ATOM 1159 O ASP A 71 5.658 4.965 -8.154 1.00 22.11 O ATOM 1160 CB ASP A 71 7.137 7.955 -8.850 1.00 10.03 C ATOM 1161 CG ASP A 71 8.399 7.149 -8.632 1.00 51.55 C ATOM 1162 OD1 ASP A 71 8.553 6.060 -9.210 1.00 61.42 O ATOM 1163 OD2 ASP A 71 9.307 7.643 -7.931 1.00 73.30 O ATOM 0 H ASP A 71 4.996 9.006 -9.303 1.00 62.13 H new ATOM 0 HA ASP A 71 6.079 6.522 -10.036 1.00 12.44 H new ATOM 0 HB2 ASP A 71 7.302 8.646 -9.676 1.00 10.03 H new ATOM 0 HB3 ASP A 71 6.950 8.559 -7.962 1.00 10.03 H new ATOM 1168 N LEU A 72 5.096 6.739 -6.887 1.00 2.03 N ATOM 1169 CA LEU A 72 4.752 5.953 -5.694 1.00 1.22 C ATOM 1170 C LEU A 72 3.614 4.979 -5.993 1.00 11.50 C ATOM 1171 O LEU A 72 3.578 3.850 -5.487 1.00 22.10 O ATOM 1172 CB LEU A 72 4.337 6.872 -4.529 1.00 73.32 C ATOM 1173 CG LEU A 72 5.406 7.821 -3.970 1.00 52.30 C ATOM 1174 CD1 LEU A 72 4.821 8.674 -2.860 1.00 33.22 C ATOM 1175 CD2 LEU A 72 6.592 7.042 -3.442 1.00 33.41 C ATOM 0 H LEU A 72 4.933 7.741 -6.787 1.00 2.03 H new ATOM 0 HA LEU A 72 5.641 5.391 -5.408 1.00 1.22 H new ATOM 0 HB2 LEU A 72 3.490 7.474 -4.858 1.00 73.32 H new ATOM 0 HB3 LEU A 72 3.983 6.243 -3.712 1.00 73.32 H new ATOM 0 HG LEU A 72 5.744 8.467 -4.780 1.00 52.30 H new ATOM 0 HD11 LEU A 72 5.589 9.343 -2.472 1.00 33.22 H new ATOM 0 HD12 LEU A 72 3.992 9.263 -3.252 1.00 33.22 H new ATOM 0 HD13 LEU A 72 4.461 8.030 -2.057 1.00 33.22 H new ATOM 0 HD21 LEU A 72 7.337 7.735 -3.051 1.00 33.41 H new ATOM 0 HD22 LEU A 72 6.263 6.375 -2.645 1.00 33.41 H new ATOM 0 HD23 LEU A 72 7.030 6.455 -4.249 1.00 33.41 H new ATOM 1187 N LEU A 73 2.711 5.411 -6.839 1.00 34.20 N ATOM 1188 CA LEU A 73 1.548 4.624 -7.200 1.00 43.22 C ATOM 1189 C LEU A 73 1.969 3.458 -8.089 1.00 63.13 C ATOM 1190 O LEU A 73 1.465 2.338 -7.963 1.00 31.32 O ATOM 1191 CB LEU A 73 0.531 5.524 -7.909 1.00 14.15 C ATOM 1192 CG LEU A 73 0.161 6.804 -7.144 1.00 63.14 C ATOM 1193 CD1 LEU A 73 -0.827 7.659 -7.898 1.00 42.34 C ATOM 1194 CD2 LEU A 73 -0.354 6.489 -5.759 1.00 73.34 C ATOM 0 H LEU A 73 2.758 6.320 -7.300 1.00 34.20 H new ATOM 0 HA LEU A 73 1.082 4.213 -6.304 1.00 43.22 H new ATOM 0 HB2 LEU A 73 0.931 5.803 -8.884 1.00 14.15 H new ATOM 0 HB3 LEU A 73 -0.378 4.950 -8.090 1.00 14.15 H new ATOM 0 HG LEU A 73 1.080 7.382 -7.045 1.00 63.14 H new ATOM 0 HD11 LEU A 73 -1.056 8.551 -7.315 1.00 42.34 H new ATOM 0 HD12 LEU A 73 -0.398 7.952 -8.856 1.00 42.34 H new ATOM 0 HD13 LEU A 73 -1.743 7.093 -8.069 1.00 42.34 H new ATOM 0 HD21 LEU A 73 -0.607 7.416 -5.245 1.00 73.34 H new ATOM 0 HD22 LEU A 73 -1.243 5.863 -5.835 1.00 73.34 H new ATOM 0 HD23 LEU A 73 0.415 5.960 -5.196 1.00 73.34 H new ATOM 1206 N SER A 74 2.932 3.727 -8.943 1.00 12.32 N ATOM 1207 CA SER A 74 3.474 2.740 -9.842 1.00 61.23 C ATOM 1208 C SER A 74 4.232 1.662 -9.064 1.00 65.13 C ATOM 1209 O SER A 74 4.066 0.464 -9.319 1.00 63.31 O ATOM 1210 CB SER A 74 4.391 3.421 -10.855 1.00 40.23 C ATOM 1211 OG SER A 74 3.680 4.417 -11.586 1.00 62.23 O ATOM 0 H SER A 74 3.363 4.647 -9.031 1.00 12.32 H new ATOM 0 HA SER A 74 2.656 2.255 -10.375 1.00 61.23 H new ATOM 0 HB2 SER A 74 5.237 3.875 -10.340 1.00 40.23 H new ATOM 0 HB3 SER A 74 4.797 2.679 -11.542 1.00 40.23 H new ATOM 0 HG SER A 74 3.631 5.239 -11.055 1.00 62.23 H new ATOM 1217 N GLU A 75 5.035 2.086 -8.096 1.00 72.03 N ATOM 1218 CA GLU A 75 5.808 1.167 -7.269 1.00 12.22 C ATOM 1219 C GLU A 75 4.866 0.240 -6.493 1.00 13.14 C ATOM 1220 O GLU A 75 5.066 -0.979 -6.456 1.00 55.41 O ATOM 1221 CB GLU A 75 6.722 1.958 -6.329 1.00 70.20 C ATOM 1222 CG GLU A 75 7.661 2.888 -7.083 1.00 42.22 C ATOM 1223 CD GLU A 75 8.544 3.735 -6.203 1.00 54.30 C ATOM 1224 OE1 GLU A 75 8.096 4.768 -5.687 1.00 25.10 O ATOM 1225 OE2 GLU A 75 9.743 3.413 -6.072 1.00 60.33 O ATOM 0 H GLU A 75 5.169 3.070 -7.863 1.00 72.03 H new ATOM 0 HA GLU A 75 6.438 0.544 -7.904 1.00 12.22 H new ATOM 0 HB2 GLU A 75 6.112 2.542 -5.640 1.00 70.20 H new ATOM 0 HB3 GLU A 75 7.308 1.264 -5.727 1.00 70.20 H new ATOM 0 HG2 GLU A 75 8.292 2.291 -7.741 1.00 42.22 H new ATOM 0 HG3 GLU A 75 7.068 3.544 -7.720 1.00 42.22 H new ATOM 1232 N PHE A 76 3.805 0.830 -5.946 1.00 53.43 N ATOM 1233 CA PHE A 76 2.758 0.116 -5.201 1.00 41.15 C ATOM 1234 C PHE A 76 2.152 -0.995 -6.043 1.00 43.01 C ATOM 1235 O PHE A 76 1.926 -2.087 -5.541 1.00 43.44 O ATOM 1236 CB PHE A 76 1.692 1.127 -4.748 1.00 33.12 C ATOM 1237 CG PHE A 76 0.613 0.565 -3.875 1.00 1.24 C ATOM 1238 CD1 PHE A 76 0.918 0.030 -2.635 1.00 14.14 C ATOM 1239 CD2 PHE A 76 -0.703 0.571 -4.293 1.00 60.35 C ATOM 1240 CE1 PHE A 76 -0.071 -0.488 -1.830 1.00 2.22 C ATOM 1241 CE2 PHE A 76 -1.697 0.055 -3.492 1.00 23.14 C ATOM 1242 CZ PHE A 76 -1.381 -0.476 -2.257 1.00 21.34 C ATOM 0 H PHE A 76 3.642 1.835 -6.006 1.00 53.43 H new ATOM 0 HA PHE A 76 3.194 -0.358 -4.321 1.00 41.15 H new ATOM 0 HB2 PHE A 76 2.187 1.937 -4.212 1.00 33.12 H new ATOM 0 HB3 PHE A 76 1.230 1.566 -5.633 1.00 33.12 H new ATOM 0 HD1 PHE A 76 1.943 0.019 -2.296 1.00 14.14 H new ATOM 0 HD2 PHE A 76 -0.955 0.985 -5.258 1.00 60.35 H new ATOM 0 HE1 PHE A 76 0.179 -0.903 -0.865 1.00 2.22 H new ATOM 0 HE2 PHE A 76 -2.723 0.066 -3.829 1.00 23.14 H new ATOM 0 HZ PHE A 76 -2.159 -0.881 -1.627 1.00 21.34 H new ATOM 1252 N GLY A 77 1.974 -0.732 -7.327 1.00 11.31 N ATOM 1253 CA GLY A 77 1.415 -1.713 -8.238 1.00 41.41 C ATOM 1254 C GLY A 77 2.219 -3.012 -8.295 1.00 3.13 C ATOM 1255 O GLY A 77 1.645 -4.093 -8.342 1.00 4.23 O ATOM 0 H GLY A 77 2.211 0.159 -7.763 1.00 11.31 H new ATOM 0 HA2 GLY A 77 0.393 -1.939 -7.935 1.00 41.41 H new ATOM 0 HA3 GLY A 77 1.363 -1.282 -9.238 1.00 41.41 H new ATOM 1259 N GLN A 78 3.541 -2.905 -8.239 1.00 14.22 N ATOM 1260 CA GLN A 78 4.416 -4.059 -8.337 1.00 74.43 C ATOM 1261 C GLN A 78 4.521 -4.777 -6.986 1.00 30.34 C ATOM 1262 O GLN A 78 4.682 -6.005 -6.922 1.00 55.12 O ATOM 1263 CB GLN A 78 5.791 -3.616 -8.885 1.00 32.21 C ATOM 1264 CG GLN A 78 6.760 -4.747 -9.192 1.00 34.24 C ATOM 1265 CD GLN A 78 7.791 -5.023 -8.100 1.00 62.13 C ATOM 1266 OE1 GLN A 78 7.565 -4.798 -6.907 1.00 73.43 O ATOM 1267 NE2 GLN A 78 8.939 -5.508 -8.499 1.00 44.53 N ATOM 0 H GLN A 78 4.032 -2.018 -8.125 1.00 14.22 H new ATOM 0 HA GLN A 78 3.997 -4.782 -9.037 1.00 74.43 H new ATOM 0 HB2 GLN A 78 5.632 -3.038 -9.795 1.00 32.21 H new ATOM 0 HB3 GLN A 78 6.255 -2.948 -8.160 1.00 32.21 H new ATOM 0 HG2 GLN A 78 6.188 -5.658 -9.370 1.00 34.24 H new ATOM 0 HG3 GLN A 78 7.286 -4.514 -10.118 1.00 34.24 H new ATOM 0 HE21 GLN A 78 9.101 -5.685 -9.490 1.00 44.53 H new ATOM 0 HE22 GLN A 78 9.672 -5.709 -7.819 1.00 44.53 H new ATOM 1276 N PHE A 79 4.391 -4.017 -5.914 1.00 32.42 N ATOM 1277 CA PHE A 79 4.450 -4.565 -4.561 1.00 22.23 C ATOM 1278 C PHE A 79 3.204 -5.346 -4.218 1.00 71.22 C ATOM 1279 O PHE A 79 3.189 -6.161 -3.294 1.00 62.42 O ATOM 1280 CB PHE A 79 4.721 -3.475 -3.527 1.00 51.51 C ATOM 1281 CG PHE A 79 6.114 -2.946 -3.603 1.00 21.24 C ATOM 1282 CD1 PHE A 79 7.185 -3.811 -3.500 1.00 35.05 C ATOM 1283 CD2 PHE A 79 6.359 -1.601 -3.772 1.00 54.41 C ATOM 1284 CE1 PHE A 79 8.468 -3.350 -3.566 1.00 32.44 C ATOM 1285 CE2 PHE A 79 7.650 -1.129 -3.840 1.00 53.22 C ATOM 1286 CZ PHE A 79 8.704 -2.008 -3.738 1.00 41.41 C ATOM 0 H PHE A 79 4.242 -3.009 -5.950 1.00 32.42 H new ATOM 0 HA PHE A 79 5.288 -5.262 -4.535 1.00 22.23 H new ATOM 0 HB2 PHE A 79 4.017 -2.656 -3.674 1.00 51.51 H new ATOM 0 HB3 PHE A 79 4.542 -3.874 -2.529 1.00 51.51 H new ATOM 0 HD1 PHE A 79 7.005 -4.867 -3.365 1.00 35.05 H new ATOM 0 HD2 PHE A 79 5.532 -0.912 -3.852 1.00 54.41 H new ATOM 0 HE1 PHE A 79 9.296 -4.039 -3.483 1.00 32.44 H new ATOM 0 HE2 PHE A 79 7.835 -0.073 -3.973 1.00 53.22 H new ATOM 0 HZ PHE A 79 9.719 -1.642 -3.793 1.00 41.41 H new ATOM 1296 N LEU A 80 2.175 -5.085 -4.949 1.00 51.20 N ATOM 1297 CA LEU A 80 0.930 -5.758 -4.781 1.00 23.14 C ATOM 1298 C LEU A 80 0.939 -7.125 -5.445 1.00 14.11 C ATOM 1299 O LEU A 80 1.740 -7.378 -6.372 1.00 51.41 O ATOM 1300 CB LEU A 80 -0.182 -4.895 -5.331 1.00 22.02 C ATOM 1301 CG LEU A 80 -0.529 -3.697 -4.489 1.00 52.34 C ATOM 1302 CD1 LEU A 80 -1.351 -2.755 -5.291 1.00 53.13 C ATOM 1303 CD2 LEU A 80 -1.283 -4.131 -3.248 1.00 72.42 C ATOM 0 H LEU A 80 2.174 -4.387 -5.693 1.00 51.20 H new ATOM 0 HA LEU A 80 0.764 -5.925 -3.717 1.00 23.14 H new ATOM 0 HB2 LEU A 80 0.102 -4.552 -6.326 1.00 22.02 H new ATOM 0 HB3 LEU A 80 -1.075 -5.509 -5.449 1.00 22.02 H new ATOM 0 HG LEU A 80 0.387 -3.196 -4.176 1.00 52.34 H new ATOM 0 HD11 LEU A 80 -1.604 -1.886 -4.684 1.00 53.13 H new ATOM 0 HD12 LEU A 80 -0.787 -2.434 -6.167 1.00 53.13 H new ATOM 0 HD13 LEU A 80 -2.266 -3.253 -5.612 1.00 53.13 H new ATOM 0 HD21 LEU A 80 -1.529 -3.256 -2.647 1.00 72.42 H new ATOM 0 HD22 LEU A 80 -2.202 -4.640 -3.540 1.00 72.42 H new ATOM 0 HD23 LEU A 80 -0.662 -4.810 -2.664 1.00 72.42 H new ATOM 1315 N PRO A 81 0.078 -8.036 -4.954 1.00 2.20 N ATOM 1316 CA PRO A 81 -0.080 -9.374 -5.506 1.00 23.41 C ATOM 1317 C PRO A 81 -0.320 -9.339 -7.006 1.00 44.42 C ATOM 1318 O PRO A 81 -1.166 -8.569 -7.504 1.00 0.04 O ATOM 1319 CB PRO A 81 -1.312 -9.942 -4.780 1.00 25.31 C ATOM 1320 CG PRO A 81 -1.899 -8.800 -4.033 1.00 21.35 C ATOM 1321 CD PRO A 81 -0.797 -7.831 -3.794 1.00 12.23 C ATOM 0 HA PRO A 81 0.816 -9.978 -5.362 1.00 23.41 H new ATOM 0 HB2 PRO A 81 -2.029 -10.356 -5.490 1.00 25.31 H new ATOM 0 HB3 PRO A 81 -1.031 -10.749 -4.104 1.00 25.31 H new ATOM 0 HG2 PRO A 81 -2.704 -8.337 -4.604 1.00 21.35 H new ATOM 0 HG3 PRO A 81 -2.330 -9.136 -3.090 1.00 21.35 H new ATOM 0 HD2 PRO A 81 -1.165 -6.806 -3.742 1.00 12.23 H new ATOM 0 HD3 PRO A 81 -0.279 -8.032 -2.856 1.00 12.23 H new ATOM 1329 N GLU A 82 0.438 -10.151 -7.710 1.00 42.10 N ATOM 1330 CA GLU A 82 0.397 -10.267 -9.162 1.00 52.54 C ATOM 1331 C GLU A 82 -0.869 -10.995 -9.647 1.00 41.32 C ATOM 1332 O GLU A 82 -0.814 -12.047 -10.288 1.00 71.24 O ATOM 1333 CB GLU A 82 1.714 -10.903 -9.729 1.00 61.41 C ATOM 1334 CG GLU A 82 2.091 -12.323 -9.230 1.00 31.01 C ATOM 1335 CD GLU A 82 2.259 -12.431 -7.729 1.00 20.15 C ATOM 1336 OE1 GLU A 82 2.895 -11.535 -7.111 1.00 1.53 O ATOM 1337 OE2 GLU A 82 1.745 -13.399 -7.127 1.00 54.14 O ATOM 0 H GLU A 82 1.124 -10.771 -7.279 1.00 42.10 H new ATOM 0 HA GLU A 82 0.340 -9.256 -9.566 1.00 52.54 H new ATOM 0 HB2 GLU A 82 1.631 -10.938 -10.815 1.00 61.41 H new ATOM 0 HB3 GLU A 82 2.541 -10.232 -9.494 1.00 61.41 H new ATOM 0 HG2 GLU A 82 1.320 -13.024 -9.549 1.00 31.01 H new ATOM 0 HG3 GLU A 82 3.020 -12.630 -9.711 1.00 31.01 H new ATOM 1344 N ALA A 83 -2.001 -10.418 -9.323 1.00 63.23 N ATOM 1345 CA ALA A 83 -3.299 -10.984 -9.614 1.00 2.13 C ATOM 1346 C ALA A 83 -3.660 -10.892 -11.086 1.00 21.11 C ATOM 1347 O ALA A 83 -4.476 -11.667 -11.570 1.00 42.04 O ATOM 1348 CB ALA A 83 -4.365 -10.323 -8.761 1.00 54.21 C ATOM 0 H ALA A 83 -2.048 -9.522 -8.839 1.00 63.23 H new ATOM 0 HA ALA A 83 -3.248 -12.045 -9.368 1.00 2.13 H new ATOM 0 HB1 ALA A 83 -5.337 -10.759 -8.991 1.00 54.21 H new ATOM 0 HB2 ALA A 83 -4.137 -10.480 -7.707 1.00 54.21 H new ATOM 0 HB3 ALA A 83 -4.388 -9.254 -8.971 1.00 54.21 H new ATOM 1354 N LYS A 84 -3.056 -9.952 -11.809 1.00 12.21 N ATOM 1355 CA LYS A 84 -3.360 -9.784 -13.227 1.00 15.51 C ATOM 1356 C LYS A 84 -2.716 -10.905 -14.038 1.00 22.14 C ATOM 1357 O LYS A 84 -3.186 -11.259 -15.124 1.00 10.51 O ATOM 1358 CB LYS A 84 -2.867 -8.427 -13.728 1.00 44.53 C ATOM 1359 CG LYS A 84 -3.320 -7.252 -12.880 1.00 51.41 C ATOM 1360 CD LYS A 84 -4.833 -7.123 -12.809 1.00 12.22 C ATOM 1361 CE LYS A 84 -5.215 -5.943 -11.938 1.00 3.32 C ATOM 1362 NZ LYS A 84 -6.665 -5.861 -11.690 1.00 23.23 N ATOM 0 H LYS A 84 -2.361 -9.302 -11.442 1.00 12.21 H new ATOM 0 HA LYS A 84 -4.442 -9.828 -13.354 1.00 15.51 H new ATOM 0 HB2 LYS A 84 -1.778 -8.438 -13.762 1.00 44.53 H new ATOM 0 HB3 LYS A 84 -3.216 -8.280 -14.750 1.00 44.53 H new ATOM 0 HG2 LYS A 84 -2.922 -7.363 -11.871 1.00 51.41 H new ATOM 0 HG3 LYS A 84 -2.901 -6.332 -13.288 1.00 51.41 H new ATOM 0 HD2 LYS A 84 -5.242 -6.993 -13.811 1.00 12.22 H new ATOM 0 HD3 LYS A 84 -5.265 -8.038 -12.405 1.00 12.22 H new ATOM 0 HE2 LYS A 84 -4.692 -6.017 -10.985 1.00 3.32 H new ATOM 0 HE3 LYS A 84 -4.880 -5.022 -12.415 1.00 3.32 H new ATOM 0 HZ1 LYS A 84 -6.842 -5.261 -10.859 1.00 23.23 H new ATOM 0 HZ2 LYS A 84 -7.136 -5.449 -12.520 1.00 23.23 H new ATOM 0 HZ3 LYS A 84 -7.042 -6.814 -11.515 1.00 23.23 H new ATOM 1376 N ARG A 85 -1.655 -11.450 -13.503 1.00 65.24 N ATOM 1377 CA ARG A 85 -0.936 -12.546 -14.122 1.00 30.42 C ATOM 1378 C ARG A 85 -1.583 -13.872 -13.723 1.00 62.05 C ATOM 1379 O ARG A 85 -2.396 -13.919 -12.784 1.00 23.12 O ATOM 1380 CB ARG A 85 0.540 -12.468 -13.691 1.00 2.45 C ATOM 1381 CG ARG A 85 1.507 -13.444 -14.366 1.00 64.01 C ATOM 1382 CD ARG A 85 1.497 -14.840 -13.750 1.00 0.54 C ATOM 1383 NE ARG A 85 2.546 -15.696 -14.319 1.00 71.40 N ATOM 1384 CZ ARG A 85 2.796 -16.960 -13.961 1.00 25.12 C ATOM 1385 NH1 ARG A 85 2.066 -17.549 -13.022 1.00 21.40 N ATOM 1386 NH2 ARG A 85 3.784 -17.621 -14.541 1.00 35.43 N ATOM 0 H ARG A 85 -1.257 -11.146 -12.615 1.00 65.24 H new ATOM 0 HA ARG A 85 -0.980 -12.478 -15.209 1.00 30.42 H new ATOM 0 HB2 ARG A 85 0.895 -11.454 -13.877 1.00 2.45 H new ATOM 0 HB3 ARG A 85 0.589 -12.631 -12.614 1.00 2.45 H new ATOM 0 HG2 ARG A 85 1.253 -13.521 -15.423 1.00 64.01 H new ATOM 0 HG3 ARG A 85 2.517 -13.039 -14.310 1.00 64.01 H new ATOM 0 HD2 ARG A 85 1.637 -14.762 -12.672 1.00 0.54 H new ATOM 0 HD3 ARG A 85 0.523 -15.302 -13.913 1.00 0.54 H new ATOM 0 HE ARG A 85 3.133 -15.292 -15.049 1.00 71.40 H new ATOM 0 HH11 ARG A 85 1.309 -17.037 -12.569 1.00 21.40 H new ATOM 0 HH12 ARG A 85 2.262 -18.513 -12.754 1.00 21.40 H new ATOM 0 HH21 ARG A 85 4.350 -17.166 -15.257 1.00 35.43 H new ATOM 0 HH22 ARG A 85 3.979 -18.585 -14.272 1.00 35.43 H new TER 1400 ARG A 85