USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 583 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 Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -167:sc=-0.000315 (180deg=-0.122) USER MOD Single : A 5 GLN : amide:sc= -0.0556 X(o=-0.056,f=-0.38) USER MOD Single : A 8 TYR OH : rot 165:sc= -0.0317 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 ILE N :NH3+ 133:sc= -0.0019 (180deg=-0.13) USER MOD Single : A 17 LYS NZ :NH3+ -97:sc= -0.0381 (180deg=-1.15) USER MOD Single : A 21 ASN : amide:sc= -0.0882 X(o=-0.088,f=-0.5) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.0243 (180deg=-0.267) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.129 USER MOD Single : A 33 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.6) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -130:sc= 0.155 USER MOD Single : A 36 SER OG : rot 92:sc= -0.141! USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.339! USER MOD Single : A 46 ASN : amide:sc= -2.97! C(o=-3!,f=-2.9!) USER MOD Single : A 48 SER OG : rot -72:sc= 1.27 USER MOD Single : A 50 CYS SG : rot 180:sc= -1.07 USER MOD Single : A 51 SER OG : rot -79:sc= 0.24! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -175:sc= -0.382 (180deg=-0.413) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.962 K(o=-0.96,f=-1.9) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A -2 -13.237 6.559 -28.464 1.00 0.00 N ATOM 2 CA ILE A -2 -12.681 5.332 -27.839 1.00 0.00 C ATOM 3 C ILE A -2 -11.666 5.680 -26.754 1.00 0.00 C ATOM 4 O ILE A -2 -10.862 6.600 -26.912 1.00 0.00 O ATOM 5 CB ILE A -2 -12.017 4.419 -28.892 1.00 0.00 C ATOM 6 CG1 ILE A -2 -11.605 3.086 -28.259 1.00 0.00 C ATOM 7 CG2 ILE A -2 -10.817 5.111 -29.527 1.00 0.00 C ATOM 8 CD1 ILE A -2 -12.543 1.946 -28.589 1.00 0.00 C ATOM 0 H1 ILE A -2 -13.222 6.459 -29.499 1.00 0.00 H new ATOM 0 H2 ILE A -2 -14.217 6.698 -28.144 1.00 0.00 H new ATOM 0 H3 ILE A -2 -12.662 7.380 -28.187 1.00 0.00 H new ATOM 0 HA ILE A -2 -13.515 4.796 -27.386 1.00 0.00 H new ATOM 0 HB ILE A -2 -12.743 4.216 -29.679 1.00 0.00 H new ATOM 0 HG12 ILE A -2 -10.601 2.828 -28.595 1.00 0.00 H new ATOM 0 HG13 ILE A -2 -11.558 3.206 -27.177 1.00 0.00 H new ATOM 0 HG21 ILE A -2 -10.364 4.450 -30.266 1.00 0.00 H new ATOM 0 HG22 ILE A -2 -11.143 6.030 -30.014 1.00 0.00 H new ATOM 0 HG23 ILE A -2 -10.084 5.349 -28.756 1.00 0.00 H new ATOM 0 HD11 ILE A -2 -12.190 1.034 -28.108 1.00 0.00 H new ATOM 0 HD12 ILE A -2 -13.544 2.183 -28.228 1.00 0.00 H new ATOM 0 HD13 ILE A -2 -12.571 1.799 -29.669 1.00 0.00 H new ATOM 22 N SER A -1 -11.717 4.949 -25.647 1.00 0.00 N ATOM 23 CA SER A -1 -10.809 5.183 -24.532 1.00 0.00 C ATOM 24 C SER A -1 -10.562 3.893 -23.759 1.00 0.00 C ATOM 25 O SER A -1 -11.074 2.835 -24.124 1.00 0.00 O ATOM 26 CB SER A -1 -11.385 6.250 -23.598 1.00 0.00 C ATOM 27 OG SER A -1 -12.795 6.141 -23.505 1.00 0.00 O ATOM 0 H SER A -1 -12.379 4.188 -25.498 1.00 0.00 H new ATOM 0 HA SER A -1 -9.858 5.535 -24.932 1.00 0.00 H new ATOM 0 HB2 SER A -1 -10.943 6.147 -22.607 1.00 0.00 H new ATOM 0 HB3 SER A -1 -11.117 7.241 -23.964 1.00 0.00 H new ATOM 0 HG SER A -1 -13.137 6.833 -22.901 1.00 0.00 H new ATOM 33 N SER A 2 -9.781 3.986 -22.688 1.00 0.00 N ATOM 34 CA SER A 2 -9.477 2.822 -21.865 1.00 0.00 C ATOM 35 C SER A 2 -10.512 2.672 -20.751 1.00 0.00 C ATOM 36 O SER A 2 -10.866 3.648 -20.089 1.00 0.00 O ATOM 37 CB SER A 2 -8.073 2.941 -21.266 1.00 0.00 C ATOM 38 OG SER A 2 -7.114 3.235 -22.268 1.00 0.00 O ATOM 0 H SER A 2 -9.348 4.853 -22.370 1.00 0.00 H new ATOM 0 HA SER A 2 -9.512 1.935 -22.498 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.063 3.724 -20.508 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.807 2.010 -20.766 1.00 0.00 H new ATOM 0 HG SER A 2 -6.226 3.308 -21.860 1.00 0.00 H new ATOM 44 N PRO A 3 -11.014 1.443 -20.523 1.00 0.00 N ATOM 45 CA PRO A 3 -12.008 1.184 -19.482 1.00 0.00 C ATOM 46 C PRO A 3 -11.582 1.740 -18.129 1.00 0.00 C ATOM 47 O PRO A 3 -10.509 2.327 -18.000 1.00 0.00 O ATOM 48 CB PRO A 3 -12.111 -0.346 -19.422 1.00 0.00 C ATOM 49 CG PRO A 3 -11.008 -0.870 -20.279 1.00 0.00 C ATOM 50 CD PRO A 3 -10.653 0.218 -21.250 1.00 0.00 C ATOM 0 HA PRO A 3 -12.957 1.668 -19.711 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.011 -0.703 -18.397 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.081 -0.686 -19.785 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.144 -1.143 -19.672 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.324 -1.770 -20.807 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.594 0.199 -21.507 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.209 0.124 -22.183 1.00 0.00 H new ATOM 58 N LYS A 4 -12.424 1.538 -17.122 1.00 0.00 N ATOM 59 CA LYS A 4 -12.127 2.015 -15.774 1.00 0.00 C ATOM 60 C LYS A 4 -12.356 0.915 -14.744 1.00 0.00 C ATOM 61 O LYS A 4 -13.384 0.886 -14.066 1.00 0.00 O ATOM 62 CB LYS A 4 -12.985 3.237 -15.440 1.00 0.00 C ATOM 63 CG LYS A 4 -12.399 4.547 -15.944 1.00 0.00 C ATOM 64 CD LYS A 4 -11.232 5.003 -15.085 1.00 0.00 C ATOM 65 CE LYS A 4 -10.482 6.158 -15.731 1.00 0.00 C ATOM 66 NZ LYS A 4 -9.700 5.718 -16.919 1.00 0.00 N ATOM 0 H LYS A 4 -13.315 1.049 -17.211 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.076 2.302 -15.741 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.977 3.103 -15.871 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -13.112 3.297 -14.359 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.067 4.425 -16.975 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.172 5.315 -15.947 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.598 5.308 -14.105 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.549 4.169 -14.925 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.192 6.930 -16.029 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.810 6.608 -15.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.038 6.470 -17.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.166 4.857 -16.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.349 5.519 -17.707 1.00 0.00 H new ATOM 80 N GLN A 5 -11.384 0.018 -14.630 1.00 0.00 N ATOM 81 CA GLN A 5 -11.458 -1.084 -13.681 1.00 0.00 C ATOM 82 C GLN A 5 -11.134 -0.584 -12.267 1.00 0.00 C ATOM 83 O GLN A 5 -11.376 0.581 -11.953 1.00 0.00 O ATOM 84 CB GLN A 5 -10.522 -2.234 -14.104 1.00 0.00 C ATOM 85 CG GLN A 5 -9.318 -1.816 -14.932 1.00 0.00 C ATOM 86 CD GLN A 5 -8.010 -2.311 -14.349 1.00 0.00 C ATOM 87 OE1 GLN A 5 -7.931 -3.423 -13.826 1.00 0.00 O ATOM 88 NE2 GLN A 5 -6.975 -1.485 -14.439 1.00 0.00 N ATOM 0 H GLN A 5 -10.530 0.034 -15.188 1.00 0.00 H new ATOM 0 HA GLN A 5 -12.474 -1.478 -13.676 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.168 -2.741 -13.207 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.100 -2.961 -14.674 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.428 -2.200 -15.946 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.291 -0.729 -15.004 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.088 -0.573 -14.881 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.067 -1.763 -14.066 1.00 0.00 H new ATOM 97 N GLU A 6 -10.583 -1.450 -11.417 1.00 0.00 N ATOM 98 CA GLU A 6 -10.238 -1.073 -10.065 1.00 0.00 C ATOM 99 C GLU A 6 -9.376 -2.143 -9.414 1.00 0.00 C ATOM 100 O GLU A 6 -9.854 -3.230 -9.085 1.00 0.00 O ATOM 101 CB GLU A 6 -11.498 -0.835 -9.233 1.00 0.00 C ATOM 102 CG GLU A 6 -12.381 -2.066 -9.103 1.00 0.00 C ATOM 103 CD GLU A 6 -13.769 -1.733 -8.594 1.00 0.00 C ATOM 104 OE1 GLU A 6 -13.884 -0.845 -7.724 1.00 0.00 O ATOM 105 OE2 GLU A 6 -14.739 -2.360 -9.067 1.00 0.00 O ATOM 0 H GLU A 6 -10.369 -2.419 -11.651 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.669 -0.145 -10.108 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -11.208 -0.499 -8.237 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.076 -0.029 -9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.461 -2.556 -10.073 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.910 -2.777 -8.425 1.00 0.00 H new ATOM 112 N GLU A 7 -8.099 -1.830 -9.251 1.00 0.00 N ATOM 113 CA GLU A 7 -7.150 -2.750 -8.647 1.00 0.00 C ATOM 114 C GLU A 7 -7.648 -3.252 -7.291 1.00 0.00 C ATOM 115 O GLU A 7 -8.787 -2.999 -6.903 1.00 0.00 O ATOM 116 CB GLU A 7 -5.786 -2.070 -8.492 1.00 0.00 C ATOM 117 CG GLU A 7 -4.687 -2.721 -9.316 1.00 0.00 C ATOM 118 CD GLU A 7 -3.359 -2.773 -8.587 1.00 0.00 C ATOM 119 OE1 GLU A 7 -3.359 -2.656 -7.343 1.00 0.00 O ATOM 120 OE2 GLU A 7 -2.319 -2.929 -9.260 1.00 0.00 O ATOM 0 H GLU A 7 -7.695 -0.937 -9.532 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.048 -3.612 -9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.876 -1.023 -8.783 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.499 -2.085 -7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.990 -3.734 -9.582 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.563 -2.170 -10.248 1.00 0.00 H new ATOM 127 N TYR A 8 -6.782 -3.961 -6.575 1.00 0.00 N ATOM 128 CA TYR A 8 -7.118 -4.514 -5.268 1.00 0.00 C ATOM 129 C TYR A 8 -7.754 -3.483 -4.339 1.00 0.00 C ATOM 130 O TYR A 8 -8.578 -3.829 -3.494 1.00 0.00 O ATOM 131 CB TYR A 8 -5.860 -5.092 -4.625 1.00 0.00 C ATOM 132 CG TYR A 8 -5.111 -6.033 -5.538 1.00 0.00 C ATOM 133 CD1 TYR A 8 -5.767 -7.087 -6.159 1.00 0.00 C ATOM 134 CD2 TYR A 8 -3.758 -5.862 -5.790 1.00 0.00 C ATOM 135 CE1 TYR A 8 -5.095 -7.947 -7.003 1.00 0.00 C ATOM 136 CE2 TYR A 8 -3.079 -6.716 -6.636 1.00 0.00 C ATOM 137 CZ TYR A 8 -3.753 -7.758 -7.240 1.00 0.00 C ATOM 138 OH TYR A 8 -3.082 -8.610 -8.087 1.00 0.00 O ATOM 0 H TYR A 8 -5.832 -4.168 -6.882 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.859 -5.299 -5.423 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.200 -4.275 -4.333 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -6.135 -5.621 -3.713 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.821 -7.236 -5.978 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.228 -5.049 -5.317 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.620 -8.764 -7.475 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.026 -6.569 -6.824 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.222 -8.212 -8.337 1.00 0.00 H new ATOM 148 N GLU A 9 -7.364 -2.219 -4.485 1.00 0.00 N ATOM 149 CA GLU A 9 -7.899 -1.153 -3.638 1.00 0.00 C ATOM 150 C GLU A 9 -7.341 -1.268 -2.223 1.00 0.00 C ATOM 151 O GLU A 9 -6.617 -0.386 -1.761 1.00 0.00 O ATOM 152 CB GLU A 9 -9.428 -1.204 -3.589 1.00 0.00 C ATOM 153 CG GLU A 9 -10.082 -1.533 -4.921 1.00 0.00 C ATOM 154 CD GLU A 9 -11.573 -1.260 -4.918 1.00 0.00 C ATOM 155 OE1 GLU A 9 -12.341 -2.163 -4.526 1.00 0.00 O ATOM 156 OE2 GLU A 9 -11.974 -0.142 -5.308 1.00 0.00 O ATOM 0 H GLU A 9 -6.683 -1.908 -5.178 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.595 -0.200 -4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.732 -1.949 -2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.802 -0.241 -3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.610 -0.946 -5.709 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.908 -2.583 -5.158 1.00 0.00 H new ATOM 163 N VAL A 10 -7.680 -2.375 -1.549 1.00 0.00 N ATOM 164 CA VAL A 10 -7.226 -2.649 -0.179 1.00 0.00 C ATOM 165 C VAL A 10 -5.967 -1.856 0.169 1.00 0.00 C ATOM 166 O VAL A 10 -6.062 -0.739 0.679 1.00 0.00 O ATOM 167 CB VAL A 10 -7.022 -4.178 0.041 1.00 0.00 C ATOM 168 CG1 VAL A 10 -6.480 -4.865 -1.209 1.00 0.00 C ATOM 169 CG2 VAL A 10 -6.142 -4.482 1.242 1.00 0.00 C ATOM 0 H VAL A 10 -8.276 -3.105 -1.938 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.008 -2.315 0.503 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.011 -4.585 0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.352 -5.930 -1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.182 -4.729 -2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.518 -4.428 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.033 -5.561 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.160 -4.031 1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.601 -4.073 2.142 1.00 0.00 H new ATOM 179 N GLU A 11 -4.794 -2.403 -0.122 1.00 0.00 N ATOM 180 CA GLU A 11 -3.560 -1.695 0.170 1.00 0.00 C ATOM 181 C GLU A 11 -2.343 -2.440 -0.342 1.00 0.00 C ATOM 182 O GLU A 11 -2.151 -3.624 -0.068 1.00 0.00 O ATOM 183 CB GLU A 11 -3.412 -1.453 1.669 1.00 0.00 C ATOM 184 CG GLU A 11 -4.136 -2.464 2.547 1.00 0.00 C ATOM 185 CD GLU A 11 -3.303 -3.699 2.830 1.00 0.00 C ATOM 186 OE1 GLU A 11 -3.118 -4.519 1.909 1.00 0.00 O ATOM 187 OE2 GLU A 11 -2.835 -3.847 3.976 1.00 0.00 O ATOM 0 H GLU A 11 -4.673 -3.320 -0.553 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.618 -0.738 -0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.352 -1.464 1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.785 -0.456 1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.408 -1.990 3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.065 -2.761 2.061 1.00 0.00 H new ATOM 194 N ARG A 12 -1.519 -1.721 -1.083 1.00 0.00 N ATOM 195 CA ARG A 12 -0.304 -2.276 -1.641 1.00 0.00 C ATOM 196 C ARG A 12 0.766 -1.190 -1.683 1.00 0.00 C ATOM 197 O ARG A 12 0.994 -0.551 -2.710 1.00 0.00 O ATOM 198 CB ARG A 12 -0.555 -2.870 -3.035 1.00 0.00 C ATOM 199 CG ARG A 12 -1.773 -3.784 -3.121 1.00 0.00 C ATOM 200 CD ARG A 12 -3.084 -3.009 -3.153 1.00 0.00 C ATOM 201 NE ARG A 12 -3.336 -2.367 -4.438 1.00 0.00 N ATOM 202 CZ ARG A 12 -4.178 -1.347 -4.594 1.00 0.00 C ATOM 203 NH1 ARG A 12 -4.819 -0.841 -3.546 1.00 0.00 N ATOM 204 NH2 ARG A 12 -4.379 -0.827 -5.796 1.00 0.00 N ATOM 0 H ARG A 12 -1.674 -0.739 -1.313 1.00 0.00 H new ATOM 0 HA ARG A 12 0.043 -3.093 -1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.677 -2.054 -3.747 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.328 -3.431 -3.342 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.698 -4.401 -4.017 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.776 -4.461 -2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.906 -3.687 -2.925 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.070 -2.250 -2.371 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.842 -2.717 -5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.667 -1.234 -2.617 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.463 -0.060 -3.670 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.888 -1.208 -6.605 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.025 -0.046 -5.912 1.00 0.00 H new ATOM 218 N ILE A 13 1.379 -0.964 -0.525 1.00 0.00 N ATOM 219 CA ILE A 13 2.398 0.062 -0.361 1.00 0.00 C ATOM 220 C ILE A 13 1.822 1.456 -0.576 1.00 0.00 C ATOM 221 O ILE A 13 1.805 1.970 -1.691 1.00 0.00 O ATOM 222 CB ILE A 13 3.591 -0.107 -1.310 1.00 0.00 C ATOM 223 CG1 ILE A 13 3.901 -1.570 -1.597 1.00 0.00 C ATOM 224 CG2 ILE A 13 4.817 0.569 -0.709 1.00 0.00 C ATOM 225 CD1 ILE A 13 4.273 -2.359 -0.367 1.00 0.00 C ATOM 0 H ILE A 13 1.181 -1.489 0.327 1.00 0.00 H new ATOM 0 HA ILE A 13 2.751 -0.055 0.664 1.00 0.00 H new ATOM 0 HB ILE A 13 3.326 0.361 -2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.032 -2.032 -2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.719 -1.626 -2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.665 0.449 -1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.614 1.630 -0.566 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.050 0.112 0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.481 -3.392 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.160 -1.922 0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.448 -2.334 0.344 1.00 0.00 H new ATOM 237 N VAL A 14 1.350 2.058 0.500 1.00 0.00 N ATOM 238 CA VAL A 14 0.781 3.399 0.432 1.00 0.00 C ATOM 239 C VAL A 14 1.854 4.449 0.724 1.00 0.00 C ATOM 240 O VAL A 14 1.687 5.627 0.407 1.00 0.00 O ATOM 241 CB VAL A 14 -0.435 3.566 1.389 1.00 0.00 C ATOM 242 CG1 VAL A 14 -0.482 2.449 2.403 1.00 0.00 C ATOM 243 CG2 VAL A 14 -0.435 4.901 2.120 1.00 0.00 C ATOM 0 H VAL A 14 1.348 1.644 1.432 1.00 0.00 H new ATOM 0 HA VAL A 14 0.412 3.549 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.321 3.531 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.341 2.589 3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.572 1.493 1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.433 2.457 2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.307 4.959 2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.472 4.988 2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.470 5.713 1.394 1.00 0.00 H new ATOM 253 N ASP A 15 2.957 4.011 1.325 1.00 0.00 N ATOM 254 CA ASP A 15 4.060 4.906 1.658 1.00 0.00 C ATOM 255 C ASP A 15 5.307 4.072 1.910 1.00 0.00 C ATOM 256 O ASP A 15 5.220 2.851 1.947 1.00 0.00 O ATOM 257 CB ASP A 15 3.717 5.747 2.890 1.00 0.00 C ATOM 258 CG ASP A 15 4.796 6.755 3.231 1.00 0.00 C ATOM 259 OD1 ASP A 15 5.060 7.648 2.398 1.00 0.00 O ATOM 260 OD2 ASP A 15 5.379 6.651 4.331 1.00 0.00 O ATOM 0 H ASP A 15 3.110 3.039 1.592 1.00 0.00 H new ATOM 0 HA ASP A 15 4.239 5.590 0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.778 6.272 2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.560 5.087 3.743 1.00 0.00 H new ATOM 265 N GLU A 16 6.475 4.696 2.030 1.00 0.00 N ATOM 266 CA GLU A 16 7.689 3.919 2.231 1.00 0.00 C ATOM 267 C GLU A 16 8.756 4.687 3.011 1.00 0.00 C ATOM 268 O GLU A 16 8.889 5.905 2.893 1.00 0.00 O ATOM 269 CB GLU A 16 8.237 3.450 0.876 1.00 0.00 C ATOM 270 CG GLU A 16 7.639 4.192 -0.303 1.00 0.00 C ATOM 271 CD GLU A 16 7.902 5.684 -0.251 1.00 0.00 C ATOM 272 OE1 GLU A 16 9.056 6.091 -0.503 1.00 0.00 O ATOM 273 OE2 GLU A 16 6.956 6.445 0.039 1.00 0.00 O ATOM 0 H GLU A 16 6.604 5.707 1.993 1.00 0.00 H new ATOM 0 HA GLU A 16 7.427 3.052 2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.319 3.578 0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.041 2.384 0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.050 3.787 -1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.563 4.018 -0.329 1.00 0.00 H new ATOM 280 N LYS A 17 9.535 3.932 3.779 1.00 0.00 N ATOM 281 CA LYS A 17 10.632 4.465 4.576 1.00 0.00 C ATOM 282 C LYS A 17 11.953 3.858 4.141 1.00 0.00 C ATOM 283 O LYS A 17 12.152 2.636 4.239 1.00 0.00 O ATOM 284 CB LYS A 17 10.471 4.159 6.054 1.00 0.00 C ATOM 285 CG LYS A 17 10.069 5.354 6.902 1.00 0.00 C ATOM 286 CD LYS A 17 8.843 5.068 7.748 1.00 0.00 C ATOM 287 CE LYS A 17 8.848 3.664 8.339 1.00 0.00 C ATOM 288 NZ LYS A 17 8.466 3.666 9.778 1.00 0.00 N ATOM 0 H LYS A 17 9.420 2.922 3.866 1.00 0.00 H new ATOM 0 HA LYS A 17 10.619 5.544 4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.721 3.377 6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.411 3.759 6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.899 5.633 7.551 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.870 6.207 6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.787 5.797 8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.948 5.198 7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.157 3.033 7.781 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.840 3.227 8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.324 3.656 10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.913 4.521 9.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.894 2.823 9.986 1.00 0.00 H new ATOM 302 N LEU A 18 12.855 4.714 3.701 1.00 0.00 N ATOM 303 CA LEU A 18 14.176 4.289 3.275 1.00 0.00 C ATOM 304 C LEU A 18 15.227 4.784 4.255 1.00 0.00 C ATOM 305 O LEU A 18 14.964 5.660 5.079 1.00 0.00 O ATOM 306 CB LEU A 18 14.503 4.820 1.877 1.00 0.00 C ATOM 307 CG LEU A 18 13.320 4.921 0.913 1.00 0.00 C ATOM 308 CD1 LEU A 18 13.787 5.446 -0.435 1.00 0.00 C ATOM 309 CD2 LEU A 18 12.640 3.568 0.753 1.00 0.00 C ATOM 0 H LEU A 18 12.695 5.719 3.629 1.00 0.00 H new ATOM 0 HA LEU A 18 14.182 3.199 3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.950 5.809 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.258 4.173 1.430 1.00 0.00 H new ATOM 0 HG LEU A 18 12.593 5.619 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.937 5.514 -1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.229 6.434 -0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.531 4.767 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.801 3.662 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.355 2.846 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.276 3.227 1.722 1.00 0.00 H new ATOM 321 N ASP A 19 16.415 4.210 4.163 1.00 0.00 N ATOM 322 CA ASP A 19 17.520 4.582 5.044 1.00 0.00 C ATOM 323 C ASP A 19 18.476 5.566 4.357 1.00 0.00 C ATOM 324 O ASP A 19 18.190 6.068 3.270 1.00 0.00 O ATOM 325 CB ASP A 19 18.274 3.323 5.483 1.00 0.00 C ATOM 326 CG ASP A 19 18.934 2.603 4.321 1.00 0.00 C ATOM 327 OD1 ASP A 19 18.824 3.094 3.176 1.00 0.00 O ATOM 328 OD2 ASP A 19 19.558 1.547 4.555 1.00 0.00 O ATOM 0 H ASP A 19 16.644 3.482 3.486 1.00 0.00 H new ATOM 0 HA ASP A 19 17.108 5.081 5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.034 3.596 6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.581 2.644 5.980 1.00 0.00 H new ATOM 333 N ARG A 20 19.624 5.808 4.989 1.00 0.00 N ATOM 334 CA ARG A 20 20.643 6.709 4.436 1.00 0.00 C ATOM 335 C ARG A 20 21.328 6.081 3.214 1.00 0.00 C ATOM 336 O ARG A 20 22.163 6.706 2.560 1.00 0.00 O ATOM 337 CB ARG A 20 21.693 7.042 5.500 1.00 0.00 C ATOM 338 CG ARG A 20 22.184 5.826 6.279 1.00 0.00 C ATOM 339 CD ARG A 20 21.921 5.957 7.776 1.00 0.00 C ATOM 340 NE ARG A 20 20.652 6.623 8.067 1.00 0.00 N ATOM 341 CZ ARG A 20 20.379 7.227 9.222 1.00 0.00 C ATOM 342 NH1 ARG A 20 21.261 7.211 10.213 1.00 0.00 N ATOM 343 NH2 ARG A 20 19.216 7.841 9.392 1.00 0.00 N ATOM 0 H ARG A 20 19.875 5.393 5.886 1.00 0.00 H new ATOM 0 HA ARG A 20 20.144 7.626 4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.545 7.522 5.019 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.272 7.765 6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.689 4.931 5.902 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.253 5.695 6.110 1.00 0.00 H new ATOM 0 HD2 ARG A 20 21.919 4.966 8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.735 6.517 8.237 1.00 0.00 H new ATOM 0 HE ARG A 20 19.934 6.625 7.343 1.00 0.00 H new ATOM 0 HH11 ARG A 20 22.155 6.734 10.093 1.00 0.00 H new ATOM 0 HH12 ARG A 20 21.046 7.676 11.095 1.00 0.00 H new ATOM 0 HH21 ARG A 20 18.529 7.851 8.638 1.00 0.00 H new ATOM 0 HH22 ARG A 20 19.008 8.303 10.277 1.00 0.00 H new ATOM 357 N ASN A 21 20.962 4.835 2.933 1.00 0.00 N ATOM 358 CA ASN A 21 21.516 4.090 1.813 1.00 0.00 C ATOM 359 C ASN A 21 20.576 4.132 0.618 1.00 0.00 C ATOM 360 O ASN A 21 20.936 3.714 -0.483 1.00 0.00 O ATOM 361 CB ASN A 21 21.749 2.635 2.221 1.00 0.00 C ATOM 362 CG ASN A 21 23.192 2.341 2.559 1.00 0.00 C ATOM 363 OD1 ASN A 21 24.112 2.803 1.884 1.00 0.00 O ATOM 364 ND2 ASN A 21 23.396 1.567 3.617 1.00 0.00 N ATOM 0 H ASN A 21 20.273 4.315 3.476 1.00 0.00 H new ATOM 0 HA ASN A 21 22.463 4.551 1.532 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.125 2.401 3.083 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.431 1.980 1.410 1.00 0.00 H new ATOM 0 HD21 ASN A 21 24.347 1.332 3.901 1.00 0.00 H new ATOM 0 HD22 ASN A 21 22.602 1.207 4.146 1.00 0.00 H new ATOM 371 N GLY A 22 19.363 4.614 0.847 1.00 0.00 N ATOM 372 CA GLY A 22 18.385 4.666 -0.207 1.00 0.00 C ATOM 373 C GLY A 22 17.703 3.327 -0.376 1.00 0.00 C ATOM 374 O GLY A 22 16.946 3.111 -1.323 1.00 0.00 O ATOM 0 H GLY A 22 19.043 4.970 1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.642 5.431 0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.866 4.954 -1.142 1.00 0.00 H new ATOM 378 N ALA A 23 17.967 2.431 0.571 1.00 0.00 N ATOM 379 CA ALA A 23 17.387 1.112 0.576 1.00 0.00 C ATOM 380 C ALA A 23 16.081 1.148 1.340 1.00 0.00 C ATOM 381 O ALA A 23 15.848 2.046 2.145 1.00 0.00 O ATOM 382 CB ALA A 23 18.354 0.116 1.196 1.00 0.00 C ATOM 0 H ALA A 23 18.594 2.611 1.356 1.00 0.00 H new ATOM 0 HA ALA A 23 17.189 0.792 -0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.904 -0.877 1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.278 0.097 0.618 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.574 0.413 2.221 1.00 0.00 H new ATOM 388 N VAL A 24 15.216 0.202 1.058 1.00 0.00 N ATOM 389 CA VAL A 24 13.911 0.165 1.695 1.00 0.00 C ATOM 390 C VAL A 24 13.917 -0.660 2.976 1.00 0.00 C ATOM 391 O VAL A 24 14.057 -1.880 2.943 1.00 0.00 O ATOM 392 CB VAL A 24 12.863 -0.390 0.723 1.00 0.00 C ATOM 393 CG1 VAL A 24 11.461 -0.132 1.245 1.00 0.00 C ATOM 394 CG2 VAL A 24 13.062 0.229 -0.656 1.00 0.00 C ATOM 0 H VAL A 24 15.387 -0.553 0.394 1.00 0.00 H new ATOM 0 HA VAL A 24 13.656 1.190 1.965 1.00 0.00 H new ATOM 0 HB VAL A 24 12.989 -1.469 0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.731 -0.533 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.338 -0.619 2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.306 0.941 1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.316 -0.168 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.954 1.311 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 24 14.059 -0.014 -1.023 1.00 0.00 H new ATOM 404 N LYS A 25 13.773 0.023 4.107 1.00 0.00 N ATOM 405 CA LYS A 25 13.768 -0.639 5.404 1.00 0.00 C ATOM 406 C LYS A 25 12.348 -0.930 5.881 1.00 0.00 C ATOM 407 O LYS A 25 12.128 -1.878 6.635 1.00 0.00 O ATOM 408 CB LYS A 25 14.492 0.213 6.448 1.00 0.00 C ATOM 409 CG LYS A 25 15.998 0.282 6.239 1.00 0.00 C ATOM 410 CD LYS A 25 16.672 -1.033 6.603 1.00 0.00 C ATOM 411 CE LYS A 25 18.179 -0.876 6.716 1.00 0.00 C ATOM 412 NZ LYS A 25 18.566 -0.044 7.889 1.00 0.00 N ATOM 0 H LYS A 25 13.658 1.036 4.150 1.00 0.00 H new ATOM 0 HA LYS A 25 14.292 -1.587 5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.084 1.223 6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.289 -0.192 7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.211 0.526 5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.414 1.086 6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.272 -1.398 7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.439 -1.783 5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.641 -1.860 6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.566 -0.420 5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.573 -0.192 8.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.402 0.960 7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.993 -0.318 8.713 1.00 0.00 H new ATOM 426 N LEU A 26 11.381 -0.115 5.455 1.00 0.00 N ATOM 427 CA LEU A 26 9.995 -0.318 5.885 1.00 0.00 C ATOM 428 C LEU A 26 8.999 0.237 4.882 1.00 0.00 C ATOM 429 O LEU A 26 9.329 1.114 4.104 1.00 0.00 O ATOM 430 CB LEU A 26 9.768 0.396 7.219 1.00 0.00 C ATOM 431 CG LEU A 26 9.680 -0.500 8.447 1.00 0.00 C ATOM 432 CD1 LEU A 26 9.952 0.316 9.703 1.00 0.00 C ATOM 433 CD2 LEU A 26 8.315 -1.167 8.523 1.00 0.00 C ATOM 0 H LEU A 26 11.526 0.675 4.826 1.00 0.00 H new ATOM 0 HA LEU A 26 9.838 -1.393 5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.579 1.108 7.370 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.846 0.973 7.148 1.00 0.00 H new ATOM 0 HG LEU A 26 10.434 -1.283 8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.888 -0.331 10.578 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.950 0.750 9.646 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.213 1.113 9.786 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.270 -1.804 9.407 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.540 -0.403 8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.156 -1.773 7.631 1.00 0.00 H new ATOM 445 N TYR A 27 7.766 -0.262 4.916 1.00 0.00 N ATOM 446 CA TYR A 27 6.712 0.228 4.023 1.00 0.00 C ATOM 447 C TYR A 27 5.445 0.493 4.823 1.00 0.00 C ATOM 448 O TYR A 27 5.155 -0.203 5.794 1.00 0.00 O ATOM 449 CB TYR A 27 6.347 -0.778 2.920 1.00 0.00 C ATOM 450 CG TYR A 27 7.346 -0.907 1.797 1.00 0.00 C ATOM 451 CD1 TYR A 27 7.491 0.094 0.854 1.00 0.00 C ATOM 452 CD2 TYR A 27 8.119 -2.043 1.673 1.00 0.00 C ATOM 453 CE1 TYR A 27 8.386 -0.033 -0.187 1.00 0.00 C ATOM 454 CE2 TYR A 27 9.017 -2.188 0.642 1.00 0.00 C ATOM 455 CZ TYR A 27 9.150 -1.179 -0.289 1.00 0.00 C ATOM 456 OH TYR A 27 10.050 -1.314 -1.321 1.00 0.00 O ATOM 0 H TYR A 27 7.470 -1.004 5.550 1.00 0.00 H new ATOM 0 HA TYR A 27 7.102 1.134 3.559 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.213 -1.758 3.377 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.385 -0.491 2.495 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.893 0.990 0.934 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.017 -2.835 2.401 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.489 0.757 -0.916 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.613 -3.085 0.562 1.00 0.00 H new ATOM 0 HH TYR A 27 10.507 -2.178 -1.246 1.00 0.00 H new ATOM 466 N ARG A 28 4.684 1.476 4.384 1.00 0.00 N ATOM 467 CA ARG A 28 3.424 1.823 5.018 1.00 0.00 C ATOM 468 C ARG A 28 2.277 1.304 4.189 1.00 0.00 C ATOM 469 O ARG A 28 2.190 1.608 2.987 1.00 0.00 O ATOM 470 CB ARG A 28 3.246 3.334 5.141 1.00 0.00 C ATOM 471 CG ARG A 28 1.859 3.745 5.621 1.00 0.00 C ATOM 472 CD ARG A 28 1.739 5.250 5.778 1.00 0.00 C ATOM 473 NE ARG A 28 0.588 5.776 5.047 1.00 0.00 N ATOM 474 CZ ARG A 28 0.281 7.068 4.965 1.00 0.00 C ATOM 475 NH1 ARG A 28 1.025 7.976 5.583 1.00 0.00 N ATOM 476 NH2 ARG A 28 -0.777 7.453 4.262 1.00 0.00 N ATOM 0 H ARG A 28 4.920 2.057 3.579 1.00 0.00 H new ATOM 0 HA ARG A 28 3.435 1.377 6.012 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.992 3.725 5.833 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.438 3.795 4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.110 3.393 4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.647 3.262 6.575 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.645 5.500 6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.650 5.728 5.417 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.019 5.110 4.569 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.838 7.685 6.125 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.784 8.965 5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.353 6.759 3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.014 8.443 4.198 1.00 0.00 H new ATOM 490 N ILE A 29 1.408 0.532 4.838 1.00 0.00 N ATOM 491 CA ILE A 29 0.241 -0.040 4.191 1.00 0.00 C ATOM 492 C ILE A 29 -1.021 0.516 4.855 1.00 0.00 C ATOM 493 O ILE A 29 -1.042 0.712 6.071 1.00 0.00 O ATOM 494 CB ILE A 29 0.289 -1.583 4.279 1.00 0.00 C ATOM 495 CG1 ILE A 29 1.682 -2.065 3.829 1.00 0.00 C ATOM 496 CG2 ILE A 29 -0.818 -2.210 3.445 1.00 0.00 C ATOM 497 CD1 ILE A 29 1.689 -3.339 3.006 1.00 0.00 C ATOM 0 H ILE A 29 1.497 0.289 5.825 1.00 0.00 H new ATOM 0 HA ILE A 29 0.229 0.231 3.135 1.00 0.00 H new ATOM 0 HB ILE A 29 0.122 -1.897 5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.153 -1.273 3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.299 -2.220 4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.762 -3.296 3.524 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.787 -1.869 3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.699 -1.915 2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.715 -3.594 2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.253 -4.151 3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.104 -3.189 2.098 1.00 0.00 H new ATOM 509 N ARG A 30 -2.058 0.790 4.061 1.00 0.00 N ATOM 510 CA ARG A 30 -3.306 1.348 4.590 1.00 0.00 C ATOM 511 C ARG A 30 -4.518 0.692 3.929 1.00 0.00 C ATOM 512 O ARG A 30 -4.771 0.892 2.742 1.00 0.00 O ATOM 513 CB ARG A 30 -3.342 2.865 4.389 1.00 0.00 C ATOM 514 CG ARG A 30 -2.261 3.599 5.170 1.00 0.00 C ATOM 515 CD ARG A 30 -2.676 5.024 5.496 1.00 0.00 C ATOM 516 NE ARG A 30 -3.329 5.123 6.801 1.00 0.00 N ATOM 517 CZ ARG A 30 -2.696 4.965 7.961 1.00 0.00 C ATOM 518 NH1 ARG A 30 -1.397 4.698 7.987 1.00 0.00 N ATOM 519 NH2 ARG A 30 -3.366 5.078 9.101 1.00 0.00 N ATOM 0 H ARG A 30 -2.060 0.636 3.053 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.346 1.139 5.659 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.229 3.087 3.328 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.319 3.242 4.691 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.050 3.061 6.094 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.338 3.612 4.590 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.798 5.669 5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.353 5.389 4.724 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.329 5.325 6.823 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.876 4.612 7.114 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.919 4.578 8.880 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.365 5.286 9.087 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.882 4.957 9.991 1.00 0.00 H new ATOM 533 N TRP A 31 -5.258 -0.095 4.707 1.00 0.00 N ATOM 534 CA TRP A 31 -6.432 -0.800 4.196 1.00 0.00 C ATOM 535 C TRP A 31 -7.725 -0.038 4.493 1.00 0.00 C ATOM 536 O TRP A 31 -8.437 -0.368 5.442 1.00 0.00 O ATOM 537 CB TRP A 31 -6.565 -2.237 4.765 1.00 0.00 C ATOM 538 CG TRP A 31 -5.360 -2.823 5.462 1.00 0.00 C ATOM 539 CD1 TRP A 31 -4.395 -2.164 6.156 1.00 0.00 C ATOM 540 CD2 TRP A 31 -5.023 -4.214 5.542 1.00 0.00 C ATOM 541 NE1 TRP A 31 -3.471 -3.050 6.654 1.00 0.00 N ATOM 542 CE2 TRP A 31 -3.835 -4.317 6.293 1.00 0.00 C ATOM 543 CE3 TRP A 31 -5.609 -5.381 5.047 1.00 0.00 C ATOM 544 CZ2 TRP A 31 -3.226 -5.540 6.558 1.00 0.00 C ATOM 545 CZ3 TRP A 31 -5.003 -6.595 5.311 1.00 0.00 C ATOM 546 CH2 TRP A 31 -3.823 -6.667 6.061 1.00 0.00 C ATOM 0 H TRP A 31 -5.065 -0.261 5.695 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.281 -0.864 3.118 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.398 -2.245 5.468 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -6.835 -2.901 3.944 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -4.360 -1.094 6.296 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.648 -2.803 7.203 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -6.520 -5.336 4.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -2.315 -5.598 7.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -5.447 -7.504 4.932 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.375 -7.631 6.251 1.00 0.00 H new ATOM 557 N LEU A 32 -8.054 0.961 3.673 1.00 0.00 N ATOM 558 CA LEU A 32 -9.297 1.702 3.880 1.00 0.00 C ATOM 559 C LEU A 32 -10.469 0.772 3.595 1.00 0.00 C ATOM 560 O LEU A 32 -11.481 0.771 4.298 1.00 0.00 O ATOM 561 CB LEU A 32 -9.351 2.989 3.020 1.00 0.00 C ATOM 562 CG LEU A 32 -9.754 2.857 1.534 1.00 0.00 C ATOM 563 CD1 LEU A 32 -8.815 1.932 0.775 1.00 0.00 C ATOM 564 CD2 LEU A 32 -11.200 2.403 1.387 1.00 0.00 C ATOM 0 H LEU A 32 -7.493 1.270 2.879 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.351 2.038 4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.050 3.678 3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.367 3.457 3.058 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.668 3.849 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.132 1.866 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.800 2.327 0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.839 0.940 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.450 2.321 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.327 1.432 1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.860 3.130 1.860 1.00 0.00 H new ATOM 576 N ASN A 33 -10.296 -0.007 2.541 1.00 0.00 N ATOM 577 CA ASN A 33 -11.296 -0.970 2.098 1.00 0.00 C ATOM 578 C ASN A 33 -11.941 -1.676 3.294 1.00 0.00 C ATOM 579 O ASN A 33 -13.109 -2.061 3.241 1.00 0.00 O ATOM 580 CB ASN A 33 -10.663 -1.999 1.165 1.00 0.00 C ATOM 581 CG ASN A 33 -10.842 -1.647 -0.288 1.00 0.00 C ATOM 582 OD1 ASN A 33 -10.708 -0.490 -0.691 1.00 0.00 O ATOM 583 ND2 ASN A 33 -11.156 -2.654 -1.084 1.00 0.00 N ATOM 0 H ASN A 33 -9.455 0.009 1.964 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.072 -0.428 1.557 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.599 -2.080 1.387 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.104 -2.977 1.356 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.299 -2.491 -2.081 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.255 -3.594 -0.702 1.00 0.00 H new ATOM 590 N TYR A 34 -11.167 -1.838 4.369 1.00 0.00 N ATOM 591 CA TYR A 34 -11.649 -2.504 5.584 1.00 0.00 C ATOM 592 C TYR A 34 -12.192 -1.510 6.613 1.00 0.00 C ATOM 593 O TYR A 34 -13.398 -1.451 6.852 1.00 0.00 O ATOM 594 CB TYR A 34 -10.515 -3.316 6.222 1.00 0.00 C ATOM 595 CG TYR A 34 -10.126 -4.565 5.454 1.00 0.00 C ATOM 596 CD1 TYR A 34 -10.718 -4.885 4.236 1.00 0.00 C ATOM 597 CD2 TYR A 34 -9.162 -5.427 5.956 1.00 0.00 C ATOM 598 CE1 TYR A 34 -10.359 -6.026 3.548 1.00 0.00 C ATOM 599 CE2 TYR A 34 -8.796 -6.568 5.273 1.00 0.00 C ATOM 600 CZ TYR A 34 -9.398 -6.864 4.069 1.00 0.00 C ATOM 601 OH TYR A 34 -9.037 -8.001 3.385 1.00 0.00 O ATOM 0 H TYR A 34 -10.201 -1.516 4.424 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.466 -3.162 5.286 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.638 -2.677 6.319 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.814 -3.603 7.230 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.470 -4.230 3.823 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.689 -5.200 6.900 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -10.830 -6.261 2.605 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.042 -7.226 5.679 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.346 -8.480 3.889 1.00 0.00 H new ATOM 611 N SER A 35 -11.291 -0.758 7.250 1.00 0.00 N ATOM 612 CA SER A 35 -11.686 0.199 8.286 1.00 0.00 C ATOM 613 C SER A 35 -11.503 1.653 7.844 1.00 0.00 C ATOM 614 O SER A 35 -12.354 2.498 8.116 1.00 0.00 O ATOM 615 CB SER A 35 -10.882 -0.057 9.563 1.00 0.00 C ATOM 616 OG SER A 35 -9.691 0.710 9.586 1.00 0.00 O ATOM 0 H SER A 35 -10.288 -0.793 7.068 1.00 0.00 H new ATOM 0 HA SER A 35 -12.749 0.049 8.474 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.491 0.187 10.433 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.636 -1.116 9.634 1.00 0.00 H new ATOM 0 HG SER A 35 -8.931 0.128 9.798 1.00 0.00 H new ATOM 622 N SER A 36 -10.388 1.940 7.176 1.00 0.00 N ATOM 623 CA SER A 36 -10.094 3.297 6.709 1.00 0.00 C ATOM 624 C SER A 36 -9.566 4.166 7.845 1.00 0.00 C ATOM 625 O SER A 36 -10.091 5.248 8.111 1.00 0.00 O ATOM 626 CB SER A 36 -11.330 3.946 6.069 1.00 0.00 C ATOM 627 OG SER A 36 -12.283 2.970 5.680 1.00 0.00 O ATOM 0 H SER A 36 -9.671 1.252 6.945 1.00 0.00 H new ATOM 0 HA SER A 36 -9.318 3.219 5.947 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.785 4.640 6.775 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.028 4.529 5.199 1.00 0.00 H new ATOM 0 HG SER A 36 -12.918 2.823 6.412 1.00 0.00 H new ATOM 633 N ARG A 37 -8.515 3.686 8.506 1.00 0.00 N ATOM 634 CA ARG A 37 -7.898 4.415 9.609 1.00 0.00 C ATOM 635 C ARG A 37 -6.902 3.533 10.356 1.00 0.00 C ATOM 636 O ARG A 37 -5.759 3.927 10.587 1.00 0.00 O ATOM 637 CB ARG A 37 -8.966 4.935 10.578 1.00 0.00 C ATOM 638 CG ARG A 37 -9.223 6.429 10.449 1.00 0.00 C ATOM 639 CD ARG A 37 -10.652 6.786 10.833 1.00 0.00 C ATOM 640 NE ARG A 37 -11.363 7.461 9.748 1.00 0.00 N ATOM 641 CZ ARG A 37 -11.450 8.784 9.622 1.00 0.00 C ATOM 642 NH1 ARG A 37 -10.838 9.587 10.486 1.00 0.00 N ATOM 643 NH2 ARG A 37 -12.143 9.307 8.619 1.00 0.00 N ATOM 0 H ARG A 37 -8.072 2.792 8.295 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.361 5.265 9.188 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.898 4.397 10.403 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.658 4.714 11.600 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.527 6.975 11.086 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.031 6.745 9.423 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.190 5.879 11.109 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -10.640 7.429 11.713 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.821 6.882 9.044 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.296 9.191 11.254 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.910 10.599 10.381 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.607 8.696 7.947 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.211 10.320 8.520 1.00 0.00 H new ATOM 657 N SER A 38 -7.345 2.339 10.735 1.00 0.00 N ATOM 658 CA SER A 38 -6.491 1.404 11.460 1.00 0.00 C ATOM 659 C SER A 38 -5.636 0.584 10.497 1.00 0.00 C ATOM 660 O SER A 38 -6.102 -0.394 9.912 1.00 0.00 O ATOM 661 CB SER A 38 -7.340 0.476 12.331 1.00 0.00 C ATOM 662 OG SER A 38 -8.309 1.208 13.062 1.00 0.00 O ATOM 0 H SER A 38 -8.288 1.996 10.553 1.00 0.00 H new ATOM 0 HA SER A 38 -5.825 1.981 12.101 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.836 -0.264 11.703 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.696 -0.071 13.020 1.00 0.00 H new ATOM 0 HG SER A 38 -8.840 0.592 13.609 1.00 0.00 H new ATOM 668 N ASP A 39 -4.379 0.987 10.350 1.00 0.00 N ATOM 669 CA ASP A 39 -3.441 0.301 9.465 1.00 0.00 C ATOM 670 C ASP A 39 -2.074 0.213 10.129 1.00 0.00 C ATOM 671 O ASP A 39 -1.899 0.710 11.243 1.00 0.00 O ATOM 672 CB ASP A 39 -3.334 1.044 8.132 1.00 0.00 C ATOM 673 CG ASP A 39 -4.685 1.530 7.631 1.00 0.00 C ATOM 674 OD1 ASP A 39 -5.638 0.723 7.623 1.00 0.00 O ATOM 675 OD2 ASP A 39 -4.787 2.715 7.250 1.00 0.00 O ATOM 0 H ASP A 39 -3.982 1.791 10.836 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.807 -0.708 9.273 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.664 1.896 8.246 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.888 0.386 7.387 1.00 0.00 H new ATOM 680 N THR A 40 -1.093 -0.392 9.458 1.00 0.00 N ATOM 681 CA THR A 40 0.239 -0.508 10.039 1.00 0.00 C ATOM 682 C THR A 40 1.338 -0.554 8.972 1.00 0.00 C ATOM 683 O THR A 40 1.086 -0.409 7.766 1.00 0.00 O ATOM 684 CB THR A 40 0.316 -1.760 10.916 1.00 0.00 C ATOM 685 OG1 THR A 40 1.658 -2.081 11.234 1.00 0.00 O ATOM 686 CG2 THR A 40 -0.307 -2.975 10.270 1.00 0.00 C ATOM 0 H THR A 40 -1.195 -0.801 8.529 1.00 0.00 H new ATOM 0 HA THR A 40 0.409 0.383 10.644 1.00 0.00 H new ATOM 0 HB THR A 40 -0.247 -1.513 11.816 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.678 -2.884 11.796 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.220 -3.829 10.942 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.360 -2.779 10.066 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.209 -3.195 9.335 1.00 0.00 H new ATOM 694 N TRP A 41 2.569 -0.745 9.442 1.00 0.00 N ATOM 695 CA TRP A 41 3.734 -0.809 8.584 1.00 0.00 C ATOM 696 C TRP A 41 4.313 -2.220 8.572 1.00 0.00 C ATOM 697 O TRP A 41 4.231 -2.955 9.555 1.00 0.00 O ATOM 698 CB TRP A 41 4.806 0.178 9.066 1.00 0.00 C ATOM 699 CG TRP A 41 4.299 1.577 9.218 1.00 0.00 C ATOM 700 CD1 TRP A 41 3.330 2.010 10.073 1.00 0.00 C ATOM 701 CD2 TRP A 41 4.733 2.726 8.487 1.00 0.00 C ATOM 702 NE1 TRP A 41 3.121 3.357 9.910 1.00 0.00 N ATOM 703 CE2 TRP A 41 3.975 3.824 8.944 1.00 0.00 C ATOM 704 CE3 TRP A 41 5.684 2.932 7.486 1.00 0.00 C ATOM 705 CZ2 TRP A 41 4.148 5.108 8.432 1.00 0.00 C ATOM 706 CZ3 TRP A 41 5.852 4.205 6.979 1.00 0.00 C ATOM 707 CH2 TRP A 41 5.088 5.279 7.453 1.00 0.00 C ATOM 0 H TRP A 41 2.780 -0.859 10.433 1.00 0.00 H new ATOM 0 HA TRP A 41 3.426 -0.541 7.573 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.200 -0.164 10.023 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.636 0.175 8.360 1.00 0.00 H new ATOM 0 HD1 TRP A 41 2.803 1.384 10.777 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.442 3.919 10.423 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.278 2.110 7.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 3.561 5.939 8.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.585 4.376 6.204 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.244 6.263 7.037 1.00 0.00 H new ATOM 718 N GLU A 42 4.919 -2.563 7.456 1.00 0.00 N ATOM 719 CA GLU A 42 5.545 -3.844 7.262 1.00 0.00 C ATOM 720 C GLU A 42 6.798 -3.673 6.415 1.00 0.00 C ATOM 721 O GLU A 42 6.792 -2.916 5.451 1.00 0.00 O ATOM 722 CB GLU A 42 4.592 -4.809 6.563 1.00 0.00 C ATOM 723 CG GLU A 42 3.139 -4.362 6.538 1.00 0.00 C ATOM 724 CD GLU A 42 2.189 -5.496 6.215 1.00 0.00 C ATOM 725 OE1 GLU A 42 2.243 -6.010 5.079 1.00 0.00 O ATOM 726 OE2 GLU A 42 1.391 -5.869 7.099 1.00 0.00 O ATOM 0 H GLU A 42 4.989 -1.946 6.647 1.00 0.00 H new ATOM 0 HA GLU A 42 5.807 -4.254 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.931 -4.953 5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.651 -5.778 7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.876 -3.937 7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.019 -3.570 5.799 1.00 0.00 H new ATOM 733 N PRO A 43 7.889 -4.374 6.744 1.00 0.00 N ATOM 734 CA PRO A 43 9.118 -4.275 5.966 1.00 0.00 C ATOM 735 C PRO A 43 8.872 -4.600 4.492 1.00 0.00 C ATOM 736 O PRO A 43 7.758 -4.945 4.106 1.00 0.00 O ATOM 737 CB PRO A 43 10.059 -5.304 6.592 1.00 0.00 C ATOM 738 CG PRO A 43 9.457 -5.680 7.909 1.00 0.00 C ATOM 739 CD PRO A 43 7.996 -5.312 7.868 1.00 0.00 C ATOM 0 HA PRO A 43 9.529 -3.266 5.988 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.163 -6.178 5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.057 -4.887 6.726 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.577 -6.748 8.093 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.960 -5.157 8.722 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.369 -6.190 7.714 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.676 -4.851 8.802 1.00 0.00 H new ATOM 747 N PRO A 44 9.919 -4.543 3.657 1.00 0.00 N ATOM 748 CA PRO A 44 9.819 -4.845 2.229 1.00 0.00 C ATOM 749 C PRO A 44 9.989 -6.323 1.941 1.00 0.00 C ATOM 750 O PRO A 44 9.287 -6.908 1.114 1.00 0.00 O ATOM 751 CB PRO A 44 10.992 -4.058 1.678 1.00 0.00 C ATOM 752 CG PRO A 44 12.025 -4.198 2.697 1.00 0.00 C ATOM 753 CD PRO A 44 11.308 -4.218 4.032 1.00 0.00 C ATOM 0 HA PRO A 44 8.850 -4.591 1.800 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.323 -4.455 0.718 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.730 -3.012 1.517 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.595 -5.115 2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.733 -3.371 2.649 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.729 -4.964 4.705 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.374 -3.256 4.540 1.00 0.00 H new ATOM 761 N GLU A 45 10.963 -6.901 2.605 1.00 0.00 N ATOM 762 CA GLU A 45 11.280 -8.314 2.439 1.00 0.00 C ATOM 763 C GLU A 45 10.032 -9.173 2.632 1.00 0.00 C ATOM 764 O GLU A 45 9.871 -10.208 1.983 1.00 0.00 O ATOM 765 CB GLU A 45 12.370 -8.729 3.426 1.00 0.00 C ATOM 766 CG GLU A 45 13.756 -8.239 3.037 1.00 0.00 C ATOM 767 CD GLU A 45 14.686 -8.105 4.228 1.00 0.00 C ATOM 768 OE1 GLU A 45 14.390 -8.703 5.283 1.00 0.00 O ATOM 769 OE2 GLU A 45 15.710 -7.401 4.104 1.00 0.00 O ATOM 0 H GLU A 45 11.560 -6.414 3.274 1.00 0.00 H new ATOM 0 HA GLU A 45 11.648 -8.469 1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.121 -8.343 4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.385 -9.816 3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.192 -8.931 2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.669 -7.273 2.539 1.00 0.00 H new ATOM 776 N ASN A 46 9.142 -8.728 3.517 1.00 0.00 N ATOM 777 CA ASN A 46 7.906 -9.434 3.782 1.00 0.00 C ATOM 778 C ASN A 46 7.026 -9.448 2.540 1.00 0.00 C ATOM 779 O ASN A 46 6.257 -10.383 2.314 1.00 0.00 O ATOM 780 CB ASN A 46 7.153 -8.739 4.908 1.00 0.00 C ATOM 781 CG ASN A 46 7.861 -8.801 6.242 1.00 0.00 C ATOM 782 OD1 ASN A 46 8.965 -9.333 6.355 1.00 0.00 O ATOM 783 ND2 ASN A 46 7.213 -8.255 7.266 1.00 0.00 N ATOM 0 H ASN A 46 9.262 -7.875 4.062 1.00 0.00 H new ATOM 0 HA ASN A 46 8.146 -10.459 4.066 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.997 -7.695 4.638 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.167 -9.193 5.008 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.630 -8.265 8.197 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.299 -7.826 7.121 1.00 0.00 H new ATOM 790 N LEU A 47 7.132 -8.381 1.755 1.00 0.00 N ATOM 791 CA LEU A 47 6.340 -8.231 0.542 1.00 0.00 C ATOM 792 C LEU A 47 6.717 -9.264 -0.510 1.00 0.00 C ATOM 793 O LEU A 47 5.964 -9.489 -1.456 1.00 0.00 O ATOM 794 CB LEU A 47 6.488 -6.827 -0.039 1.00 0.00 C ATOM 795 CG LEU A 47 6.742 -5.712 0.977 1.00 0.00 C ATOM 796 CD1 LEU A 47 6.981 -4.404 0.264 1.00 0.00 C ATOM 797 CD2 LEU A 47 5.584 -5.576 1.946 1.00 0.00 C ATOM 0 H LEU A 47 7.764 -7.602 1.940 1.00 0.00 H new ATOM 0 HA LEU A 47 5.299 -8.393 0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.310 -6.835 -0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.582 -6.587 -0.596 1.00 0.00 H new ATOM 0 HG LEU A 47 7.631 -5.974 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.161 -3.618 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.850 -4.498 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.105 -4.150 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.795 -4.776 2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.674 -5.341 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.450 -6.513 2.486 1.00 0.00 H new ATOM 809 N SER A 48 7.900 -9.866 -0.384 1.00 0.00 N ATOM 810 CA SER A 48 8.344 -10.855 -1.362 1.00 0.00 C ATOM 811 C SER A 48 7.177 -11.746 -1.780 1.00 0.00 C ATOM 812 O SER A 48 6.768 -11.750 -2.941 1.00 0.00 O ATOM 813 CB SER A 48 9.485 -11.698 -0.786 1.00 0.00 C ATOM 814 OG SER A 48 9.142 -12.224 0.484 1.00 0.00 O ATOM 0 H SER A 48 8.558 -9.689 0.375 1.00 0.00 H new ATOM 0 HA SER A 48 8.714 -10.333 -2.245 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.719 -12.514 -1.470 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.384 -11.088 -0.699 1.00 0.00 H new ATOM 0 HG SER A 48 9.148 -11.504 1.149 1.00 0.00 H new ATOM 820 N GLY A 49 6.640 -12.490 -0.822 1.00 0.00 N ATOM 821 CA GLY A 49 5.520 -13.360 -1.107 1.00 0.00 C ATOM 822 C GLY A 49 4.307 -12.603 -1.618 1.00 0.00 C ATOM 823 O GLY A 49 3.466 -13.173 -2.313 1.00 0.00 O ATOM 0 H GLY A 49 6.961 -12.505 0.146 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.820 -14.101 -1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.249 -13.905 -0.203 1.00 0.00 H new ATOM 827 N CYS A 50 4.199 -11.322 -1.261 1.00 0.00 N ATOM 828 CA CYS A 50 3.065 -10.507 -1.690 1.00 0.00 C ATOM 829 C CYS A 50 2.852 -10.602 -3.197 1.00 0.00 C ATOM 830 O CYS A 50 1.851 -11.157 -3.648 1.00 0.00 O ATOM 831 CB CYS A 50 3.229 -9.045 -1.245 1.00 0.00 C ATOM 832 SG CYS A 50 1.973 -8.499 -0.069 1.00 0.00 S ATOM 0 H CYS A 50 4.878 -10.831 -0.680 1.00 0.00 H new ATOM 0 HA CYS A 50 2.174 -10.904 -1.204 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.214 -8.920 -0.795 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.196 -8.401 -2.124 1.00 0.00 H new ATOM 0 HG CYS A 50 2.190 -7.258 0.252 1.00 0.00 H new ATOM 838 N SER A 51 3.784 -10.067 -3.977 1.00 0.00 N ATOM 839 CA SER A 51 3.720 -10.091 -5.445 1.00 0.00 C ATOM 840 C SER A 51 2.761 -9.045 -6.008 1.00 0.00 C ATOM 841 O SER A 51 3.187 -8.113 -6.697 1.00 0.00 O ATOM 842 CB SER A 51 3.332 -11.484 -5.954 1.00 0.00 C ATOM 843 OG SER A 51 1.925 -11.616 -6.085 1.00 0.00 O ATOM 0 H SER A 51 4.614 -9.599 -3.612 1.00 0.00 H new ATOM 0 HA SER A 51 4.720 -9.844 -5.801 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.807 -11.666 -6.918 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.707 -12.242 -5.266 1.00 0.00 H new ATOM 0 HG SER A 51 1.529 -11.786 -5.205 1.00 0.00 H new ATOM 849 N ALA A 52 1.476 -9.179 -5.716 1.00 0.00 N ATOM 850 CA ALA A 52 0.499 -8.228 -6.217 1.00 0.00 C ATOM 851 C ALA A 52 0.746 -6.852 -5.630 1.00 0.00 C ATOM 852 O ALA A 52 0.869 -5.858 -6.356 1.00 0.00 O ATOM 853 CB ALA A 52 -0.905 -8.710 -5.894 1.00 0.00 C ATOM 0 H ALA A 52 1.090 -9.928 -5.141 1.00 0.00 H new ATOM 0 HA ALA A 52 0.601 -8.154 -7.300 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.632 -7.992 -6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.074 -9.679 -6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.018 -8.805 -4.814 1.00 0.00 H new ATOM 859 N VAL A 53 0.812 -6.797 -4.307 1.00 0.00 N ATOM 860 CA VAL A 53 1.039 -5.542 -3.617 1.00 0.00 C ATOM 861 C VAL A 53 2.207 -4.781 -4.242 1.00 0.00 C ATOM 862 O VAL A 53 2.084 -3.602 -4.621 1.00 0.00 O ATOM 863 CB VAL A 53 1.302 -5.765 -2.108 1.00 0.00 C ATOM 864 CG1 VAL A 53 1.930 -4.532 -1.472 1.00 0.00 C ATOM 865 CG2 VAL A 53 0.010 -6.133 -1.394 1.00 0.00 C ATOM 0 H VAL A 53 0.711 -7.606 -3.694 1.00 0.00 H new ATOM 0 HA VAL A 53 0.132 -4.946 -3.722 1.00 0.00 H new ATOM 0 HB VAL A 53 2.006 -6.591 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.103 -4.718 -0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.879 -4.313 -1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.258 -3.681 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.211 -6.287 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.714 -5.327 -1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.394 -7.050 -1.823 1.00 0.00 H new ATOM 875 N LEU A 54 3.335 -5.465 -4.374 1.00 0.00 N ATOM 876 CA LEU A 54 4.507 -4.858 -4.973 1.00 0.00 C ATOM 877 C LEU A 54 4.166 -4.355 -6.355 1.00 0.00 C ATOM 878 O LEU A 54 4.613 -3.293 -6.759 1.00 0.00 O ATOM 879 CB LEU A 54 5.668 -5.852 -5.059 1.00 0.00 C ATOM 880 CG LEU A 54 6.167 -6.393 -3.721 1.00 0.00 C ATOM 881 CD1 LEU A 54 7.441 -7.200 -3.912 1.00 0.00 C ATOM 882 CD2 LEU A 54 6.399 -5.248 -2.747 1.00 0.00 C ATOM 0 H LEU A 54 3.460 -6.432 -4.076 1.00 0.00 H new ATOM 0 HA LEU A 54 4.819 -4.026 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.359 -6.693 -5.679 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.501 -5.369 -5.570 1.00 0.00 H new ATOM 0 HG LEU A 54 5.406 -7.054 -3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.781 -7.577 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.244 -8.038 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.213 -6.564 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.755 -5.645 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.145 -4.567 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.464 -4.710 -2.588 1.00 0.00 H new ATOM 894 N ALA A 55 3.372 -5.130 -7.081 1.00 0.00 N ATOM 895 CA ALA A 55 2.984 -4.751 -8.428 1.00 0.00 C ATOM 896 C ALA A 55 2.282 -3.396 -8.465 1.00 0.00 C ATOM 897 O ALA A 55 2.613 -2.561 -9.324 1.00 0.00 O ATOM 898 CB ALA A 55 2.104 -5.823 -9.057 1.00 0.00 C ATOM 0 H ALA A 55 2.987 -6.019 -6.761 1.00 0.00 H new ATOM 0 HA ALA A 55 3.900 -4.659 -9.011 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.825 -5.519 -10.066 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.652 -6.764 -9.100 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.204 -5.954 -8.456 1.00 0.00 H new ATOM 904 N GLU A 56 1.321 -3.139 -7.558 1.00 0.00 N ATOM 905 CA GLU A 56 0.658 -1.858 -7.598 1.00 0.00 C ATOM 906 C GLU A 56 1.688 -0.789 -7.332 1.00 0.00 C ATOM 907 O GLU A 56 1.740 0.201 -8.025 1.00 0.00 O ATOM 908 CB GLU A 56 -0.477 -1.748 -6.574 1.00 0.00 C ATOM 909 CG GLU A 56 -0.139 -0.847 -5.400 1.00 0.00 C ATOM 910 CD GLU A 56 -1.363 -0.179 -4.793 1.00 0.00 C ATOM 911 OE1 GLU A 56 -2.183 0.360 -5.563 1.00 0.00 O ATOM 912 OE2 GLU A 56 -1.491 -0.180 -3.549 1.00 0.00 O ATOM 0 H GLU A 56 1.009 -3.779 -6.827 1.00 0.00 H new ATOM 0 HA GLU A 56 0.205 -1.737 -8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.370 -1.367 -7.070 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.719 -2.743 -6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.366 -1.433 -4.633 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.562 -0.079 -5.728 1.00 0.00 H new ATOM 919 N TRP A 57 2.498 -0.996 -6.298 1.00 0.00 N ATOM 920 CA TRP A 57 3.507 -0.008 -5.933 1.00 0.00 C ATOM 921 C TRP A 57 4.401 0.354 -7.122 1.00 0.00 C ATOM 922 O TRP A 57 4.458 1.518 -7.516 1.00 0.00 O ATOM 923 CB TRP A 57 4.330 -0.483 -4.729 1.00 0.00 C ATOM 924 CG TRP A 57 5.001 0.636 -3.979 1.00 0.00 C ATOM 925 CD1 TRP A 57 6.269 0.634 -3.481 1.00 0.00 C ATOM 926 CD2 TRP A 57 4.443 1.921 -3.642 1.00 0.00 C ATOM 927 NE1 TRP A 57 6.533 1.821 -2.865 1.00 0.00 N ATOM 928 CE2 TRP A 57 5.434 2.631 -2.951 1.00 0.00 C ATOM 929 CE3 TRP A 57 3.205 2.541 -3.857 1.00 0.00 C ATOM 930 CZ2 TRP A 57 5.233 3.924 -2.477 1.00 0.00 C ATOM 931 CZ3 TRP A 57 3.009 3.821 -3.381 1.00 0.00 C ATOM 932 CH2 TRP A 57 4.021 4.501 -2.701 1.00 0.00 C ATOM 0 H TRP A 57 2.477 -1.826 -5.706 1.00 0.00 H new ATOM 0 HA TRP A 57 2.986 0.903 -5.639 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.678 -1.027 -4.046 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.089 -1.185 -5.073 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.964 -0.189 -3.562 1.00 0.00 H new ATOM 0 HE1 TRP A 57 7.413 2.067 -2.411 1.00 0.00 H new ATOM 0 HE3 TRP A 57 2.417 2.026 -4.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 6.013 4.452 -1.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 2.056 4.305 -3.537 1.00 0.00 H new ATOM 0 HH2 TRP A 57 3.839 5.504 -2.346 1.00 0.00 H new ATOM 943 N LYS A 58 5.093 -0.626 -7.697 1.00 0.00 N ATOM 944 CA LYS A 58 5.974 -0.356 -8.837 1.00 0.00 C ATOM 945 C LYS A 58 5.263 0.450 -9.923 1.00 0.00 C ATOM 946 O LYS A 58 5.738 1.506 -10.336 1.00 0.00 O ATOM 947 CB LYS A 58 6.547 -1.639 -9.454 1.00 0.00 C ATOM 948 CG LYS A 58 5.839 -2.900 -9.052 1.00 0.00 C ATOM 949 CD LYS A 58 5.902 -3.946 -10.154 1.00 0.00 C ATOM 950 CE LYS A 58 6.220 -5.320 -9.595 1.00 0.00 C ATOM 951 NZ LYS A 58 7.225 -6.039 -10.427 1.00 0.00 N ATOM 0 H LYS A 58 5.065 -1.601 -7.400 1.00 0.00 H new ATOM 0 HA LYS A 58 6.800 0.232 -8.437 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.513 -1.550 -10.540 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.597 -1.723 -9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.290 -3.299 -8.143 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.798 -2.676 -8.819 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.949 -3.978 -10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.661 -3.663 -10.883 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.596 -5.220 -8.577 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.305 -5.910 -9.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.415 -6.973 -10.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.856 -6.158 -11.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.107 -5.489 -10.459 1.00 0.00 H new ATOM 965 N ARG A 59 4.142 -0.073 -10.407 1.00 0.00 N ATOM 966 CA ARG A 59 3.390 0.584 -11.478 1.00 0.00 C ATOM 967 C ARG A 59 2.875 1.973 -11.080 1.00 0.00 C ATOM 968 O ARG A 59 2.659 2.829 -11.937 1.00 0.00 O ATOM 969 CB ARG A 59 2.220 -0.299 -11.909 1.00 0.00 C ATOM 970 CG ARG A 59 2.656 -1.604 -12.557 1.00 0.00 C ATOM 971 CD ARG A 59 1.472 -2.508 -12.876 1.00 0.00 C ATOM 972 NE ARG A 59 0.308 -1.756 -13.348 1.00 0.00 N ATOM 973 CZ ARG A 59 -0.430 -2.099 -14.403 1.00 0.00 C ATOM 974 NH1 ARG A 59 -0.142 -3.185 -15.109 1.00 0.00 N ATOM 975 NH2 ARG A 59 -1.467 -1.351 -14.752 1.00 0.00 N ATOM 0 H ARG A 59 3.732 -0.947 -10.078 1.00 0.00 H new ATOM 0 HA ARG A 59 4.080 0.726 -12.310 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.603 -0.522 -11.039 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.595 0.255 -12.609 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.204 -1.388 -13.474 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.342 -2.127 -11.891 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.766 -3.233 -13.636 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.199 -3.073 -11.985 1.00 0.00 H new ATOM 0 HE ARG A 59 0.045 -0.914 -12.836 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.652 -3.768 -14.846 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.715 -3.436 -15.914 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.698 -0.516 -14.214 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.034 -1.610 -15.559 1.00 0.00 H new ATOM 989 N ARG A 60 2.640 2.174 -9.789 1.00 0.00 N ATOM 990 CA ARG A 60 2.098 3.434 -9.276 1.00 0.00 C ATOM 991 C ARG A 60 3.176 4.481 -9.047 1.00 0.00 C ATOM 992 O ARG A 60 2.915 5.675 -9.170 1.00 0.00 O ATOM 993 CB ARG A 60 1.326 3.193 -7.972 1.00 0.00 C ATOM 994 CG ARG A 60 -0.184 3.296 -8.135 1.00 0.00 C ATOM 995 CD ARG A 60 -0.803 1.949 -8.472 1.00 0.00 C ATOM 996 NE ARG A 60 -0.533 1.552 -9.853 1.00 0.00 N ATOM 997 CZ ARG A 60 -1.369 1.761 -10.871 1.00 0.00 C ATOM 998 NH1 ARG A 60 -2.537 2.363 -10.677 1.00 0.00 N ATOM 999 NH2 ARG A 60 -1.034 1.366 -12.090 1.00 0.00 N ATOM 0 H ARG A 60 2.817 1.474 -9.068 1.00 0.00 H new ATOM 0 HA ARG A 60 1.422 3.820 -10.039 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.576 2.204 -7.588 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.654 3.917 -7.226 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.625 3.680 -7.215 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.418 4.012 -8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.412 1.191 -7.794 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.880 1.995 -8.312 1.00 0.00 H new ATOM 0 HE ARG A 60 0.352 1.085 -10.051 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.803 2.671 -9.742 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.168 2.517 -11.463 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.139 0.903 -12.248 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.671 1.524 -12.871 1.00 0.00 H new ATOM 1013 N LYS A 61 4.376 4.034 -8.708 1.00 0.00 N ATOM 1014 CA LYS A 61 5.489 4.954 -8.463 1.00 0.00 C ATOM 1015 C LYS A 61 5.502 6.061 -9.506 1.00 0.00 C ATOM 1016 O LYS A 61 5.847 7.209 -9.222 1.00 0.00 O ATOM 1017 CB LYS A 61 6.826 4.210 -8.483 1.00 0.00 C ATOM 1018 CG LYS A 61 7.140 3.489 -7.184 1.00 0.00 C ATOM 1019 CD LYS A 61 8.055 4.316 -6.294 1.00 0.00 C ATOM 1020 CE LYS A 61 7.409 5.634 -5.898 1.00 0.00 C ATOM 1021 NZ LYS A 61 6.214 5.433 -5.029 1.00 0.00 N ATOM 0 H LYS A 61 4.608 3.047 -8.595 1.00 0.00 H new ATOM 0 HA LYS A 61 5.350 5.395 -7.476 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.817 3.486 -9.298 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.625 4.921 -8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.213 3.273 -6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.612 2.531 -7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.302 3.748 -5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.992 4.512 -6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.138 6.252 -5.374 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.117 6.178 -6.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.755 6.349 -4.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.543 4.796 -5.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.509 5.013 -4.124 1.00 0.00 H new ATOM 1035 N ARG A 62 5.130 5.687 -10.718 1.00 0.00 N ATOM 1036 CA ARG A 62 5.087 6.607 -11.847 1.00 0.00 C ATOM 1037 C ARG A 62 4.161 7.801 -11.605 1.00 0.00 C ATOM 1038 O ARG A 62 4.147 8.743 -12.397 1.00 0.00 O ATOM 1039 CB ARG A 62 4.667 5.855 -13.111 1.00 0.00 C ATOM 1040 CG ARG A 62 5.721 4.876 -13.602 1.00 0.00 C ATOM 1041 CD ARG A 62 5.116 3.774 -14.458 1.00 0.00 C ATOM 1042 NE ARG A 62 5.051 4.146 -15.870 1.00 0.00 N ATOM 1043 CZ ARG A 62 3.995 4.720 -16.441 1.00 0.00 C ATOM 1044 NH1 ARG A 62 2.917 5.013 -15.723 1.00 0.00 N ATOM 1045 NH2 ARG A 62 4.021 5.012 -17.735 1.00 0.00 N ATOM 0 H ARG A 62 4.848 4.735 -10.950 1.00 0.00 H new ATOM 0 HA ARG A 62 6.091 7.012 -11.973 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.741 5.314 -12.914 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.453 6.575 -13.901 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.474 5.412 -14.180 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.231 4.433 -12.747 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.709 2.865 -14.350 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.113 3.545 -14.098 1.00 0.00 H new ATOM 0 HE ARG A 62 5.865 3.954 -16.454 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.894 4.798 -14.726 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.112 5.453 -16.168 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.849 4.796 -18.290 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.213 5.452 -18.175 1.00 0.00 H new ATOM 1059 N ARG A 63 3.398 7.776 -10.514 1.00 0.00 N ATOM 1060 CA ARG A 63 2.500 8.888 -10.207 1.00 0.00 C ATOM 1061 C ARG A 63 2.709 9.412 -8.785 1.00 0.00 C ATOM 1062 O ARG A 63 3.128 10.555 -8.603 1.00 0.00 O ATOM 1063 CB ARG A 63 1.043 8.456 -10.381 1.00 0.00 C ATOM 1064 CG ARG A 63 0.219 9.425 -11.212 1.00 0.00 C ATOM 1065 CD ARG A 63 -1.054 8.775 -11.730 1.00 0.00 C ATOM 1066 NE ARG A 63 -0.772 7.639 -12.607 1.00 0.00 N ATOM 1067 CZ ARG A 63 -1.140 7.568 -13.886 1.00 0.00 C ATOM 1068 NH1 ARG A 63 -1.799 8.570 -14.459 1.00 0.00 N ATOM 1069 NH2 ARG A 63 -0.849 6.488 -14.599 1.00 0.00 N ATOM 0 H ARG A 63 3.382 7.012 -9.838 1.00 0.00 H new ATOM 0 HA ARG A 63 2.732 9.694 -10.904 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.017 7.473 -10.852 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.584 8.351 -9.398 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.036 10.297 -10.609 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.814 9.782 -12.053 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.659 8.441 -10.887 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.644 9.514 -12.272 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.260 6.849 -12.214 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.028 9.405 -13.919 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.075 8.504 -15.439 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.344 5.713 -14.168 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.130 6.432 -15.578 1.00 0.00 H new ATOM 1083 N LEU A 64 2.379 8.592 -7.781 1.00 0.00 N ATOM 1084 CA LEU A 64 2.490 8.978 -6.370 1.00 0.00 C ATOM 1085 C LEU A 64 3.611 9.976 -6.088 1.00 0.00 C ATOM 1086 O LEU A 64 4.781 9.606 -6.006 1.00 0.00 O ATOM 1087 CB LEU A 64 2.676 7.728 -5.506 1.00 0.00 C ATOM 1088 CG LEU A 64 2.601 7.952 -3.992 1.00 0.00 C ATOM 1089 CD1 LEU A 64 3.995 8.114 -3.412 1.00 0.00 C ATOM 1090 CD2 LEU A 64 1.747 9.165 -3.662 1.00 0.00 C ATOM 0 H LEU A 64 2.028 7.645 -7.923 1.00 0.00 H new ATOM 0 HA LEU A 64 1.560 9.486 -6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.916 6.999 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.644 7.286 -5.742 1.00 0.00 H new ATOM 0 HG LEU A 64 2.133 7.076 -3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.925 8.272 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.578 7.214 -3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.484 8.972 -3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.711 9.301 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.180 10.052 -4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.737 9.013 -4.043 1.00 0.00 H new ATOM 1102 N LYS A 65 3.210 11.242 -5.911 1.00 0.00 N ATOM 1103 CA LYS A 65 4.120 12.357 -5.606 1.00 0.00 C ATOM 1104 C LYS A 65 3.553 13.685 -6.116 1.00 0.00 C ATOM 1105 O LYS A 65 4.104 14.749 -5.837 1.00 0.00 O ATOM 1106 CB LYS A 65 5.521 12.124 -6.194 1.00 0.00 C ATOM 1107 CG LYS A 65 6.640 11.952 -5.159 1.00 0.00 C ATOM 1108 CD LYS A 65 6.156 11.374 -3.827 1.00 0.00 C ATOM 1109 CE LYS A 65 6.727 9.992 -3.571 1.00 0.00 C ATOM 1110 NZ LYS A 65 6.776 9.675 -2.114 1.00 0.00 N ATOM 0 H LYS A 65 2.232 11.525 -5.976 1.00 0.00 H new ATOM 0 HA LYS A 65 4.211 12.407 -4.521 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.490 11.235 -6.824 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.771 12.965 -6.841 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.409 11.298 -5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.108 12.919 -4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.444 12.042 -3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.067 11.323 -3.827 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.120 9.247 -4.085 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.731 9.930 -3.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.172 8.723 -1.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.376 10.371 -1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.815 9.709 -1.719 1.00 0.00 H new ATOM 1124 N GLY A 66 2.446 13.619 -6.856 1.00 0.00 N ATOM 1125 CA GLY A 66 1.825 14.823 -7.376 1.00 0.00 C ATOM 1126 C GLY A 66 0.356 14.613 -7.688 1.00 0.00 C ATOM 1127 O GLY A 66 -0.141 15.077 -8.715 1.00 0.00 O ATOM 0 H GLY A 66 1.970 12.751 -7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.930 15.628 -6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.346 15.139 -8.280 1.00 0.00 H new ATOM 1131 N SER A 67 -0.338 13.903 -6.802 1.00 0.00 N ATOM 1132 CA SER A 67 -1.759 13.620 -6.988 1.00 0.00 C ATOM 1133 C SER A 67 -2.551 13.930 -5.718 1.00 0.00 C ATOM 1134 O SER A 67 -2.015 14.486 -4.760 1.00 0.00 O ATOM 1135 CB SER A 67 -1.952 12.153 -7.380 1.00 0.00 C ATOM 1136 OG SER A 67 -1.582 11.933 -8.731 1.00 0.00 O ATOM 0 H SER A 67 0.061 13.513 -5.948 1.00 0.00 H new ATOM 0 HA SER A 67 -2.133 14.260 -7.787 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.353 11.517 -6.728 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.994 11.868 -7.234 1.00 0.00 H new ATOM 0 HG SER A 67 -1.713 10.988 -8.956 1.00 0.00 H new ATOM 1142 N ASN A 68 -3.831 13.566 -5.719 1.00 0.00 N ATOM 1143 CA ASN A 68 -4.700 13.802 -4.570 1.00 0.00 C ATOM 1144 C ASN A 68 -5.736 12.688 -4.437 1.00 0.00 C ATOM 1145 O ASN A 68 -6.770 12.708 -5.105 1.00 0.00 O ATOM 1146 CB ASN A 68 -5.402 15.154 -4.705 1.00 0.00 C ATOM 1147 CG ASN A 68 -4.423 16.307 -4.810 1.00 0.00 C ATOM 1148 OD1 ASN A 68 -3.501 16.430 -4.003 1.00 0.00 O ATOM 1149 ND2 ASN A 68 -4.619 17.160 -5.809 1.00 0.00 N ATOM 0 H ASN A 68 -4.290 13.105 -6.505 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.082 13.810 -3.672 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.041 15.142 -5.588 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.052 15.310 -3.844 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.992 17.956 -5.931 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.396 17.019 -6.455 1.00 0.00 H new ATOM 1156 N SER A 69 -5.451 11.717 -3.574 1.00 0.00 N ATOM 1157 CA SER A 69 -6.359 10.594 -3.354 1.00 0.00 C ATOM 1158 C SER A 69 -6.320 10.143 -1.897 1.00 0.00 C ATOM 1159 O SER A 69 -7.287 9.486 -1.455 1.00 0.00 O ATOM 1160 CB SER A 69 -5.991 9.425 -4.272 1.00 0.00 C ATOM 1161 OG SER A 69 -6.925 9.292 -5.330 1.00 0.00 O ATOM 1162 OXT SER A 69 -5.324 10.451 -1.210 1.00 0.00 O ATOM 0 H SER A 69 -4.598 11.685 -3.015 1.00 0.00 H new ATOM 0 HA SER A 69 -7.371 10.925 -3.588 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.993 9.581 -4.682 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.958 8.501 -3.694 1.00 0.00 H new ATOM 0 HG SER A 69 -6.666 8.540 -5.902 1.00 0.00 H new TER 1168 SER A 69