USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 526 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 16 LYS NZ :NH3+ -105:sc= -0.939 (180deg=-6.02!) USER MOD Set 1.2: A 47 ASN : amide:sc= -4.59! C(o=-5.5!,f=-23!) USER MOD Set 2.1: A 10 SER OG : rot 131:sc= -1.07 USER MOD Set 2.2: A 14 LYS NZ :NH3+ 164:sc= -0.573 (180deg=-0.812) USER MOD Single : A 1 ALA N :NH3+ -137:sc= 0.137 (180deg=-2.13!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00297 USER MOD Single : A 8 LYS NZ :NH3+ -162:sc= -0.0084 (180deg=-0.144) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.749 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 38:sc= 0.223 USER MOD Single : A 46 MET CE :methyl -155:sc= -0.252 (180deg=-1.49!) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.729 F(o=-7.7!,f=-0.73) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.663 K(o=-0.66,f=-2.3!) USER MOD Single : A 65 SER OG : rot 180:sc= 0.108 USER MOD Single : A 66 THR OG1 : rot -109:sc= 0.73 USER MOD Single : A 68 GLN :FLIP amide:sc= -2.11 F(o=-5.9!,f=-2.1) USER MOD Single : A 69 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.459 -3.946 6.728 1.00 1.00 N ATOM 2 CA ALA A 1 -9.616 -4.140 5.261 1.00 1.00 C ATOM 3 C ALA A 1 -9.842 -5.623 4.967 1.00 1.00 C ATOM 4 O ALA A 1 -9.657 -6.471 5.838 1.00 1.00 O ATOM 5 CB ALA A 1 -8.356 -3.648 4.545 1.00 1.00 C ATOM 0 H1 ALA A 1 -9.997 -3.107 7.027 1.00 1.00 H new ATOM 0 H2 ALA A 1 -9.817 -4.784 7.229 1.00 1.00 H new ATOM 0 H3 ALA A 1 -8.453 -3.811 6.955 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.474 -3.571 4.903 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -8.470 -3.790 3.470 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.206 -2.589 4.758 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.493 -4.214 4.896 1.00 1.00 H new ATOM 13 N LYS A 2 -10.231 -5.923 3.733 1.00 1.00 N ATOM 14 CA LYS A 2 -10.472 -7.304 3.331 1.00 1.00 C ATOM 15 C LYS A 2 -9.157 -7.998 2.994 1.00 1.00 C ATOM 16 O LYS A 2 -8.199 -7.359 2.566 1.00 1.00 O ATOM 17 CB LYS A 2 -11.395 -7.340 2.114 1.00 1.00 C ATOM 18 CG LYS A 2 -12.782 -6.832 2.510 1.00 1.00 C ATOM 19 CD LYS A 2 -13.705 -6.860 1.291 1.00 1.00 C ATOM 20 CE LYS A 2 -15.094 -6.359 1.691 1.00 1.00 C ATOM 21 NZ LYS A 2 -15.987 -6.368 0.498 1.00 1.00 N ATOM 0 H LYS A 2 -10.386 -5.233 2.998 1.00 1.00 H new ATOM 0 HA LYS A 2 -10.946 -7.828 4.161 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -10.985 -6.723 1.315 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -11.465 -8.357 1.728 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -13.194 -7.453 3.306 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -12.711 -5.817 2.902 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -13.296 -6.235 0.497 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -13.772 -7.874 0.896 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -15.509 -6.993 2.474 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -15.025 -5.351 2.100 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -16.932 -6.028 0.769 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -15.592 -5.746 -0.236 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -16.061 -7.337 0.127 1.00 1.00 H new ATOM 35 N LYS A 3 -9.117 -9.309 3.194 1.00 1.00 N ATOM 36 CA LYS A 3 -7.909 -10.078 2.916 1.00 1.00 C ATOM 37 C LYS A 3 -7.528 -9.964 1.444 1.00 1.00 C ATOM 38 O LYS A 3 -6.349 -9.883 1.105 1.00 1.00 O ATOM 39 CB LYS A 3 -8.135 -11.546 3.270 1.00 1.00 C ATOM 40 CG LYS A 3 -8.363 -11.681 4.778 1.00 1.00 C ATOM 41 CD LYS A 3 -8.381 -13.163 5.164 1.00 1.00 C ATOM 42 CE LYS A 3 -9.595 -13.849 4.533 1.00 1.00 C ATOM 43 NZ LYS A 3 -9.852 -15.141 5.222 1.00 1.00 N ATOM 0 H LYS A 3 -9.900 -9.860 3.545 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.097 -9.676 3.523 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -8.996 -11.933 2.726 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -7.273 -12.140 2.968 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -7.574 -11.162 5.323 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -9.306 -11.211 5.057 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -7.464 -13.647 4.829 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -8.417 -13.265 6.249 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -10.470 -13.204 4.610 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -9.417 -14.021 3.471 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -10.677 -15.606 4.792 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -9.019 -15.757 5.127 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -10.040 -14.966 6.230 1.00 1.00 H new ATOM 57 N GLU A 4 -8.532 -9.971 0.574 1.00 1.00 N ATOM 58 CA GLU A 4 -8.283 -9.878 -0.858 1.00 1.00 C ATOM 59 C GLU A 4 -7.515 -8.600 -1.189 1.00 1.00 C ATOM 60 O GLU A 4 -6.542 -8.628 -1.942 1.00 1.00 O ATOM 61 CB GLU A 4 -9.616 -9.887 -1.614 1.00 1.00 C ATOM 62 CG GLU A 4 -10.382 -8.593 -1.329 1.00 1.00 C ATOM 63 CD GLU A 4 -11.844 -8.750 -1.723 1.00 1.00 C ATOM 64 OE1 GLU A 4 -12.396 -9.805 -1.461 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.392 -7.811 -2.279 1.00 1.00 O ATOM 0 H GLU A 4 -9.516 -10.039 0.833 1.00 1.00 H new ATOM 0 HA GLU A 4 -7.682 -10.735 -1.163 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -9.437 -9.986 -2.685 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -10.212 -10.748 -1.309 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.308 -8.343 -0.271 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -9.935 -7.768 -1.883 1.00 1.00 H new ATOM 72 N THR A 5 -7.963 -7.481 -0.627 1.00 1.00 N ATOM 73 CA THR A 5 -7.316 -6.201 -0.868 1.00 1.00 C ATOM 74 C THR A 5 -5.933 -6.173 -0.227 1.00 1.00 C ATOM 75 O THR A 5 -4.974 -5.686 -0.818 1.00 1.00 O ATOM 76 CB THR A 5 -8.172 -5.065 -0.303 1.00 1.00 C ATOM 77 OG1 THR A 5 -9.536 -5.298 -0.634 1.00 1.00 O ATOM 78 CG2 THR A 5 -7.722 -3.737 -0.920 1.00 1.00 C ATOM 0 H THR A 5 -8.769 -7.437 -0.004 1.00 1.00 H new ATOM 0 HA THR A 5 -7.207 -6.066 -1.944 1.00 1.00 H new ATOM 0 HB THR A 5 -8.058 -5.023 0.780 1.00 1.00 H new ATOM 0 HG1 THR A 5 -10.089 -4.574 -0.273 1.00 1.00 H new ATOM 0 HG21 THR A 5 -8.330 -2.925 -0.520 1.00 1.00 H new ATOM 0 HG22 THR A 5 -6.674 -3.560 -0.677 1.00 1.00 H new ATOM 0 HG23 THR A 5 -7.841 -3.780 -2.003 1.00 1.00 H new ATOM 86 N ILE A 6 -5.843 -6.696 0.990 1.00 1.00 N ATOM 87 CA ILE A 6 -4.576 -6.720 1.709 1.00 1.00 C ATOM 88 C ILE A 6 -3.539 -7.522 0.928 1.00 1.00 C ATOM 89 O ILE A 6 -2.388 -7.107 0.806 1.00 1.00 O ATOM 90 CB ILE A 6 -4.775 -7.349 3.094 1.00 1.00 C ATOM 91 CG1 ILE A 6 -5.605 -6.406 3.967 1.00 1.00 C ATOM 92 CG2 ILE A 6 -3.412 -7.586 3.751 1.00 1.00 C ATOM 93 CD1 ILE A 6 -6.053 -7.143 5.233 1.00 1.00 C ATOM 0 H ILE A 6 -6.627 -7.107 1.497 1.00 1.00 H new ATOM 0 HA ILE A 6 -4.220 -5.696 1.823 1.00 1.00 H new ATOM 0 HB ILE A 6 -5.296 -8.301 2.988 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -5.017 -5.528 4.234 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -6.474 -6.051 3.413 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -3.555 -8.033 4.735 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -2.821 -8.258 3.130 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -2.889 -6.636 3.857 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -6.644 -6.471 5.855 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -6.657 -8.007 4.956 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -5.177 -7.476 5.790 1.00 1.00 H new ATOM 105 N ASP A 7 -3.955 -8.668 0.401 1.00 1.00 N ATOM 106 CA ASP A 7 -3.051 -9.514 -0.368 1.00 1.00 C ATOM 107 C ASP A 7 -2.549 -8.766 -1.598 1.00 1.00 C ATOM 108 O ASP A 7 -1.384 -8.875 -1.976 1.00 1.00 O ATOM 109 CB ASP A 7 -3.773 -10.790 -0.802 1.00 1.00 C ATOM 110 CG ASP A 7 -2.759 -11.839 -1.246 1.00 1.00 C ATOM 111 OD1 ASP A 7 -1.639 -11.458 -1.547 1.00 1.00 O ATOM 112 OD2 ASP A 7 -3.115 -13.005 -1.274 1.00 1.00 O ATOM 0 H ASP A 7 -4.904 -9.030 0.491 1.00 1.00 H new ATOM 0 HA ASP A 7 -2.200 -9.778 0.260 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -4.371 -11.177 0.023 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -4.461 -10.569 -1.618 1.00 1.00 H new ATOM 117 N LYS A 8 -3.439 -8.002 -2.218 1.00 1.00 N ATOM 118 CA LYS A 8 -3.070 -7.232 -3.402 1.00 1.00 C ATOM 119 C LYS A 8 -2.036 -6.169 -3.060 1.00 1.00 C ATOM 120 O LYS A 8 -1.042 -6.006 -3.767 1.00 1.00 O ATOM 121 CB LYS A 8 -4.316 -6.561 -3.990 1.00 1.00 C ATOM 122 CG LYS A 8 -5.172 -7.602 -4.723 1.00 1.00 C ATOM 123 CD LYS A 8 -4.683 -7.744 -6.179 1.00 1.00 C ATOM 124 CE LYS A 8 -5.390 -6.708 -7.058 1.00 1.00 C ATOM 125 NZ LYS A 8 -6.778 -7.166 -7.336 1.00 1.00 N ATOM 0 H LYS A 8 -4.411 -7.898 -1.926 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.637 -7.915 -4.133 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -4.897 -6.094 -3.195 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -4.022 -5.769 -4.679 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -5.109 -8.563 -4.213 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -6.220 -7.301 -4.709 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.603 -7.601 -6.227 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.888 -8.749 -6.547 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -5.407 -5.740 -6.557 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -4.845 -6.574 -7.992 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -7.157 -6.649 -8.155 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -6.772 -8.185 -7.543 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -7.376 -6.984 -6.505 1.00 1.00 H new ATOM 139 N VAL A 9 -2.282 -5.446 -1.975 1.00 1.00 N ATOM 140 CA VAL A 9 -1.368 -4.392 -1.553 1.00 1.00 C ATOM 141 C VAL A 9 0.000 -4.974 -1.211 1.00 1.00 C ATOM 142 O VAL A 9 1.026 -4.456 -1.638 1.00 1.00 O ATOM 143 CB VAL A 9 -1.935 -3.670 -0.329 1.00 1.00 C ATOM 144 CG1 VAL A 9 -0.948 -2.596 0.133 1.00 1.00 C ATOM 145 CG2 VAL A 9 -3.268 -3.015 -0.696 1.00 1.00 C ATOM 0 H VAL A 9 -3.099 -5.568 -1.376 1.00 1.00 H new ATOM 0 HA VAL A 9 -1.255 -3.684 -2.374 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.092 -4.388 0.476 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.352 -2.082 1.005 1.00 1.00 H new ATOM 0 HG12 VAL A 9 0.002 -3.063 0.395 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -0.790 -1.877 -0.671 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.673 -2.500 0.176 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -3.111 -2.297 -1.501 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -3.971 -3.780 -1.024 1.00 1.00 H new ATOM 155 N SER A 10 0.000 -6.054 -0.441 1.00 1.00 N ATOM 156 CA SER A 10 1.245 -6.698 -0.042 1.00 1.00 C ATOM 157 C SER A 10 2.020 -7.168 -1.271 1.00 1.00 C ATOM 158 O SER A 10 3.240 -7.026 -1.338 1.00 1.00 O ATOM 159 CB SER A 10 0.950 -7.894 0.866 1.00 1.00 C ATOM 160 OG SER A 10 2.128 -8.224 1.592 1.00 1.00 O ATOM 0 H SER A 10 -0.843 -6.501 -0.082 1.00 1.00 H new ATOM 0 HA SER A 10 1.850 -5.972 0.502 1.00 1.00 H new ATOM 0 HB2 SER A 10 0.139 -7.654 1.553 1.00 1.00 H new ATOM 0 HB3 SER A 10 0.623 -8.747 0.271 1.00 1.00 H new ATOM 0 HG SER A 10 1.911 -8.316 2.543 1.00 1.00 H new ATOM 166 N ASP A 11 1.302 -7.731 -2.237 1.00 1.00 N ATOM 167 CA ASP A 11 1.931 -8.225 -3.456 1.00 1.00 C ATOM 168 C ASP A 11 2.639 -7.097 -4.188 1.00 1.00 C ATOM 169 O ASP A 11 3.747 -7.273 -4.688 1.00 1.00 O ATOM 170 CB ASP A 11 0.877 -8.842 -4.375 1.00 1.00 C ATOM 171 CG ASP A 11 1.550 -9.487 -5.581 1.00 1.00 C ATOM 172 OD1 ASP A 11 2.288 -10.439 -5.386 1.00 1.00 O ATOM 173 OD2 ASP A 11 1.318 -9.018 -6.684 1.00 1.00 O ATOM 0 H ASP A 11 0.290 -7.856 -2.200 1.00 1.00 H new ATOM 0 HA ASP A 11 2.664 -8.983 -3.180 1.00 1.00 H new ATOM 0 HB2 ASP A 11 0.298 -9.587 -3.829 1.00 1.00 H new ATOM 0 HB3 ASP A 11 0.177 -8.075 -4.706 1.00 1.00 H new ATOM 178 N ILE A 12 2.006 -5.937 -4.231 1.00 1.00 N ATOM 179 CA ILE A 12 2.594 -4.789 -4.896 1.00 1.00 C ATOM 180 C ILE A 12 3.969 -4.496 -4.316 1.00 1.00 C ATOM 181 O ILE A 12 4.829 -3.997 -5.007 1.00 1.00 O ATOM 182 CB ILE A 12 1.670 -3.557 -4.744 1.00 1.00 C ATOM 183 CG1 ILE A 12 0.853 -3.354 -6.029 1.00 1.00 C ATOM 184 CG2 ILE A 12 2.501 -2.293 -4.475 1.00 1.00 C ATOM 185 CD1 ILE A 12 -0.160 -4.490 -6.174 1.00 1.00 C ATOM 0 H ILE A 12 1.090 -5.766 -3.816 1.00 1.00 H new ATOM 0 HA ILE A 12 2.705 -5.013 -5.957 1.00 1.00 H new ATOM 0 HB ILE A 12 0.999 -3.733 -3.903 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.337 -2.394 -5.997 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.516 -3.331 -6.894 1.00 1.00 H new ATOM 0 HG21 ILE A 12 1.836 -1.436 -4.371 1.00 1.00 H new ATOM 0 HG22 ILE A 12 3.073 -2.422 -3.556 1.00 1.00 H new ATOM 0 HG23 ILE A 12 3.184 -2.123 -5.307 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.740 -4.346 -7.086 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.367 -5.443 -6.225 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.830 -4.492 -5.314 1.00 1.00 H new ATOM 197 N VAL A 13 4.129 -4.722 -3.032 1.00 1.00 N ATOM 198 CA VAL A 13 5.389 -4.430 -2.361 1.00 1.00 C ATOM 199 C VAL A 13 6.430 -5.469 -2.736 1.00 1.00 C ATOM 200 O VAL A 13 7.612 -5.161 -2.880 1.00 1.00 O ATOM 201 CB VAL A 13 5.184 -4.407 -0.849 1.00 1.00 C ATOM 202 CG1 VAL A 13 6.471 -3.937 -0.166 1.00 1.00 C ATOM 203 CG2 VAL A 13 4.044 -3.451 -0.497 1.00 1.00 C ATOM 0 H VAL A 13 3.405 -5.107 -2.425 1.00 1.00 H new ATOM 0 HA VAL A 13 5.742 -3.449 -2.680 1.00 1.00 H new ATOM 0 HB VAL A 13 4.933 -5.410 -0.505 1.00 1.00 H new ATOM 0 HG11 VAL A 13 6.325 -3.921 0.914 1.00 1.00 H new ATOM 0 HG12 VAL A 13 7.284 -4.620 -0.412 1.00 1.00 H new ATOM 0 HG13 VAL A 13 6.722 -2.935 -0.513 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.901 -3.438 0.583 1.00 1.00 H new ATOM 0 HG22 VAL A 13 4.291 -2.447 -0.843 1.00 1.00 H new ATOM 0 HG23 VAL A 13 3.126 -3.786 -0.980 1.00 1.00 H new ATOM 213 N LYS A 14 5.989 -6.721 -2.827 1.00 1.00 N ATOM 214 CA LYS A 14 6.898 -7.812 -3.135 1.00 1.00 C ATOM 215 C LYS A 14 7.485 -7.679 -4.534 1.00 1.00 C ATOM 216 O LYS A 14 8.686 -7.846 -4.738 1.00 1.00 O ATOM 217 CB LYS A 14 6.172 -9.145 -3.026 1.00 1.00 C ATOM 218 CG LYS A 14 5.693 -9.346 -1.587 1.00 1.00 C ATOM 219 CD LYS A 14 5.425 -10.850 -1.313 1.00 1.00 C ATOM 220 CE LYS A 14 5.816 -11.187 0.123 1.00 1.00 C ATOM 221 NZ LYS A 14 4.798 -10.637 1.059 1.00 1.00 N ATOM 0 H LYS A 14 5.017 -7.000 -2.693 1.00 1.00 H new ATOM 0 HA LYS A 14 7.713 -7.769 -2.413 1.00 1.00 H new ATOM 0 HB2 LYS A 14 5.323 -9.167 -3.710 1.00 1.00 H new ATOM 0 HB3 LYS A 14 6.837 -9.959 -3.317 1.00 1.00 H new ATOM 0 HG2 LYS A 14 6.443 -8.971 -0.891 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.783 -8.771 -1.416 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.372 -11.078 -1.477 1.00 1.00 H new ATOM 0 HD3 LYS A 14 5.996 -11.464 -2.010 1.00 1.00 H new ATOM 0 HE2 LYS A 14 5.892 -12.267 0.246 1.00 1.00 H new ATOM 0 HE3 LYS A 14 6.797 -10.770 0.351 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 4.906 -11.084 1.992 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 4.930 -9.609 1.150 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 3.846 -10.833 0.690 1.00 1.00 H new ATOM 235 N GLU A 15 6.628 -7.390 -5.496 1.00 1.00 N ATOM 236 CA GLU A 15 7.065 -7.253 -6.875 1.00 1.00 C ATOM 237 C GLU A 15 8.213 -6.252 -6.981 1.00 1.00 C ATOM 238 O GLU A 15 8.983 -6.277 -7.940 1.00 1.00 O ATOM 239 CB GLU A 15 5.897 -6.787 -7.747 1.00 1.00 C ATOM 240 CG GLU A 15 5.252 -5.572 -7.132 1.00 1.00 C ATOM 241 CD GLU A 15 4.309 -4.905 -8.135 1.00 1.00 C ATOM 242 OE1 GLU A 15 3.155 -5.295 -8.199 1.00 1.00 O ATOM 243 OE2 GLU A 15 4.764 -4.015 -8.832 1.00 1.00 O ATOM 0 H GLU A 15 5.629 -7.246 -5.350 1.00 1.00 H new ATOM 0 HA GLU A 15 7.415 -8.225 -7.223 1.00 1.00 H new ATOM 0 HB2 GLU A 15 6.252 -6.553 -8.751 1.00 1.00 H new ATOM 0 HB3 GLU A 15 5.164 -7.588 -7.847 1.00 1.00 H new ATOM 0 HG2 GLU A 15 4.699 -5.859 -6.238 1.00 1.00 H new ATOM 0 HG3 GLU A 15 6.019 -4.864 -6.818 1.00 1.00 H new ATOM 250 N LYS A 16 8.300 -5.367 -6.006 1.00 1.00 N ATOM 251 CA LYS A 16 9.343 -4.349 -6.004 1.00 1.00 C ATOM 252 C LYS A 16 10.704 -4.993 -5.840 1.00 1.00 C ATOM 253 O LYS A 16 11.671 -4.591 -6.487 1.00 1.00 O ATOM 254 CB LYS A 16 9.087 -3.340 -4.869 1.00 1.00 C ATOM 255 CG LYS A 16 7.633 -2.875 -4.909 1.00 1.00 C ATOM 256 CD LYS A 16 7.412 -1.906 -6.069 1.00 1.00 C ATOM 257 CE LYS A 16 5.929 -1.651 -6.262 1.00 1.00 C ATOM 258 NZ LYS A 16 5.741 -0.518 -7.207 1.00 1.00 N ATOM 0 H LYS A 16 7.666 -5.329 -5.207 1.00 1.00 H new ATOM 0 HA LYS A 16 9.324 -3.820 -6.957 1.00 1.00 H new ATOM 0 HB2 LYS A 16 9.305 -3.800 -3.905 1.00 1.00 H new ATOM 0 HB3 LYS A 16 9.755 -2.485 -4.973 1.00 1.00 H new ATOM 0 HG2 LYS A 16 6.973 -3.736 -5.016 1.00 1.00 H new ATOM 0 HG3 LYS A 16 7.374 -2.390 -3.968 1.00 1.00 H new ATOM 0 HD2 LYS A 16 7.927 -0.966 -5.871 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.840 -2.318 -6.983 1.00 1.00 H new ATOM 0 HE2 LYS A 16 5.442 -2.546 -6.649 1.00 1.00 H new ATOM 0 HE3 LYS A 16 5.461 -1.422 -5.305 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 5.455 0.331 -6.679 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 6.634 -0.331 -7.707 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 5.002 -0.761 -7.897 1.00 1.00 H new ATOM 272 N LEU A 17 10.783 -5.978 -4.957 1.00 1.00 N ATOM 273 CA LEU A 17 12.049 -6.670 -4.683 1.00 1.00 C ATOM 274 C LEU A 17 11.911 -8.150 -5.010 1.00 1.00 C ATOM 275 O LEU A 17 12.667 -8.979 -4.510 1.00 1.00 O ATOM 276 CB LEU A 17 12.455 -6.487 -3.194 1.00 1.00 C ATOM 277 CG LEU A 17 11.283 -5.905 -2.386 1.00 1.00 C ATOM 278 CD1 LEU A 17 10.334 -7.019 -1.981 1.00 1.00 C ATOM 279 CD2 LEU A 17 11.813 -5.192 -1.156 1.00 1.00 C ATOM 0 H LEU A 17 9.990 -6.321 -4.415 1.00 1.00 H new ATOM 0 HA LEU A 17 12.828 -6.238 -5.310 1.00 1.00 H new ATOM 0 HB2 LEU A 17 12.755 -7.446 -2.772 1.00 1.00 H new ATOM 0 HB3 LEU A 17 13.318 -5.824 -3.125 1.00 1.00 H new ATOM 0 HG LEU A 17 10.740 -5.188 -3.002 1.00 1.00 H new ATOM 0 HD11 LEU A 17 9.506 -6.601 -1.409 1.00 1.00 H new ATOM 0 HD12 LEU A 17 9.947 -7.510 -2.874 1.00 1.00 H new ATOM 0 HD13 LEU A 17 10.867 -7.747 -1.369 1.00 1.00 H new ATOM 0 HD21 LEU A 17 10.980 -4.781 -0.586 1.00 1.00 H new ATOM 0 HD22 LEU A 17 12.364 -5.898 -0.535 1.00 1.00 H new ATOM 0 HD23 LEU A 17 12.477 -4.384 -1.462 1.00 1.00 H new ATOM 291 N ALA A 18 10.941 -8.472 -5.849 1.00 1.00 N ATOM 292 CA ALA A 18 10.720 -9.856 -6.236 1.00 1.00 C ATOM 293 C ALA A 18 10.638 -10.753 -5.010 1.00 1.00 C ATOM 294 O ALA A 18 11.597 -11.448 -4.681 1.00 1.00 O ATOM 295 CB ALA A 18 11.861 -10.332 -7.135 1.00 1.00 C ATOM 0 H ALA A 18 10.299 -7.802 -6.272 1.00 1.00 H new ATOM 0 HA ALA A 18 9.776 -9.913 -6.777 1.00 1.00 H new ATOM 0 HB1 ALA A 18 11.690 -11.370 -7.422 1.00 1.00 H new ATOM 0 HB2 ALA A 18 11.903 -9.711 -8.030 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.805 -10.256 -6.596 1.00 1.00 H new ATOM 301 N LEU A 19 9.483 -10.750 -4.351 1.00 1.00 N ATOM 302 CA LEU A 19 9.272 -11.584 -3.163 1.00 1.00 C ATOM 303 C LEU A 19 8.037 -12.449 -3.332 1.00 1.00 C ATOM 304 O LEU A 19 7.417 -12.466 -4.394 1.00 1.00 O ATOM 305 CB LEU A 19 9.123 -10.689 -1.921 1.00 1.00 C ATOM 306 CG LEU A 19 10.430 -10.677 -1.125 1.00 1.00 C ATOM 307 CD1 LEU A 19 11.572 -10.131 -2.008 1.00 1.00 C ATOM 308 CD2 LEU A 19 10.263 -9.801 0.126 1.00 1.00 C ATOM 0 H LEU A 19 8.678 -10.182 -4.615 1.00 1.00 H new ATOM 0 HA LEU A 19 10.135 -12.237 -3.035 1.00 1.00 H new ATOM 0 HB2 LEU A 19 8.862 -9.675 -2.223 1.00 1.00 H new ATOM 0 HB3 LEU A 19 8.309 -11.055 -1.295 1.00 1.00 H new ATOM 0 HG LEU A 19 10.677 -11.693 -0.817 1.00 1.00 H new ATOM 0 HD11 LEU A 19 12.501 -10.124 -1.438 1.00 1.00 H new ATOM 0 HD12 LEU A 19 11.689 -10.767 -2.885 1.00 1.00 H new ATOM 0 HD13 LEU A 19 11.333 -9.116 -2.325 1.00 1.00 H new ATOM 0 HD21 LEU A 19 11.195 -9.793 0.692 1.00 1.00 H new ATOM 0 HD22 LEU A 19 10.012 -8.783 -0.173 1.00 1.00 H new ATOM 0 HD23 LEU A 19 9.464 -10.204 0.748 1.00 1.00 H new ATOM 320 N GLY A 20 7.677 -13.156 -2.265 1.00 1.00 N ATOM 321 CA GLY A 20 6.501 -14.023 -2.292 1.00 1.00 C ATOM 322 C GLY A 20 6.903 -15.472 -2.532 1.00 1.00 C ATOM 323 O GLY A 20 6.076 -16.377 -2.439 1.00 1.00 O ATOM 0 H GLY A 20 8.178 -13.147 -1.376 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.962 -13.942 -1.348 1.00 1.00 H new ATOM 0 HA3 GLY A 20 5.820 -13.695 -3.077 1.00 1.00 H new ATOM 327 N ALA A 21 8.180 -15.685 -2.837 1.00 1.00 N ATOM 328 CA ALA A 21 8.678 -17.030 -3.087 1.00 1.00 C ATOM 329 C ALA A 21 8.856 -17.784 -1.779 1.00 1.00 C ATOM 330 O ALA A 21 8.186 -18.787 -1.535 1.00 1.00 O ATOM 331 CB ALA A 21 10.016 -16.962 -3.825 1.00 1.00 C ATOM 0 H ALA A 21 8.882 -14.949 -2.916 1.00 1.00 H new ATOM 0 HA ALA A 21 7.950 -17.559 -3.702 1.00 1.00 H new ATOM 0 HB1 ALA A 21 10.382 -17.972 -4.008 1.00 1.00 H new ATOM 0 HB2 ALA A 21 9.881 -16.447 -4.776 1.00 1.00 H new ATOM 0 HB3 ALA A 21 10.740 -16.419 -3.217 1.00 1.00 H new ATOM 337 N ASP A 22 9.763 -17.298 -0.936 1.00 1.00 N ATOM 338 CA ASP A 22 10.025 -17.934 0.357 1.00 1.00 C ATOM 339 C ASP A 22 9.659 -16.998 1.495 1.00 1.00 C ATOM 340 O ASP A 22 10.071 -17.207 2.635 1.00 1.00 O ATOM 341 CB ASP A 22 11.502 -18.315 0.461 1.00 1.00 C ATOM 342 CG ASP A 22 12.376 -17.082 0.262 1.00 1.00 C ATOM 343 OD1 ASP A 22 11.827 -16.030 -0.021 1.00 1.00 O ATOM 344 OD2 ASP A 22 13.581 -17.207 0.401 1.00 1.00 O ATOM 0 H ASP A 22 10.328 -16.469 -1.121 1.00 1.00 H new ATOM 0 HA ASP A 22 9.413 -18.833 0.430 1.00 1.00 H new ATOM 0 HB2 ASP A 22 11.703 -18.760 1.436 1.00 1.00 H new ATOM 0 HB3 ASP A 22 11.745 -19.068 -0.289 1.00 1.00 H new ATOM 349 N VAL A 23 8.891 -15.954 1.182 1.00 1.00 N ATOM 350 CA VAL A 23 8.484 -14.975 2.194 1.00 1.00 C ATOM 351 C VAL A 23 6.967 -14.986 2.361 1.00 1.00 C ATOM 352 O VAL A 23 6.223 -14.986 1.380 1.00 1.00 O ATOM 353 CB VAL A 23 8.943 -13.577 1.782 1.00 1.00 C ATOM 354 CG1 VAL A 23 8.377 -12.546 2.758 1.00 1.00 C ATOM 355 CG2 VAL A 23 10.472 -13.515 1.803 1.00 1.00 C ATOM 0 H VAL A 23 8.540 -15.764 0.243 1.00 1.00 H new ATOM 0 HA VAL A 23 8.948 -15.243 3.143 1.00 1.00 H new ATOM 0 HB VAL A 23 8.585 -13.359 0.776 1.00 1.00 H new ATOM 0 HG11 VAL A 23 8.704 -11.549 2.464 1.00 1.00 H new ATOM 0 HG12 VAL A 23 7.288 -12.590 2.742 1.00 1.00 H new ATOM 0 HG13 VAL A 23 8.734 -12.763 3.765 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.800 -12.518 1.509 1.00 1.00 H new ATOM 0 HG22 VAL A 23 10.831 -13.733 2.809 1.00 1.00 H new ATOM 0 HG23 VAL A 23 10.876 -14.250 1.106 1.00 1.00 H new ATOM 365 N VAL A 24 6.513 -14.997 3.612 1.00 1.00 N ATOM 366 CA VAL A 24 5.091 -15.005 3.899 1.00 1.00 C ATOM 367 C VAL A 24 4.506 -13.610 3.720 1.00 1.00 C ATOM 368 O VAL A 24 5.185 -12.607 3.932 1.00 1.00 O ATOM 369 CB VAL A 24 4.858 -15.479 5.331 1.00 1.00 C ATOM 370 CG1 VAL A 24 5.608 -16.787 5.570 1.00 1.00 C ATOM 371 CG2 VAL A 24 5.352 -14.416 6.317 1.00 1.00 C ATOM 0 H VAL A 24 7.112 -15.001 4.438 1.00 1.00 H new ATOM 0 HA VAL A 24 4.597 -15.685 3.205 1.00 1.00 H new ATOM 0 HB VAL A 24 3.791 -15.642 5.483 1.00 1.00 H new ATOM 0 HG11 VAL A 24 5.439 -17.122 6.593 1.00 1.00 H new ATOM 0 HG12 VAL A 24 5.247 -17.546 4.876 1.00 1.00 H new ATOM 0 HG13 VAL A 24 6.675 -16.629 5.412 1.00 1.00 H new ATOM 0 HG21 VAL A 24 5.183 -14.760 7.337 1.00 1.00 H new ATOM 0 HG22 VAL A 24 6.417 -14.244 6.164 1.00 1.00 H new ATOM 0 HG23 VAL A 24 4.807 -13.486 6.153 1.00 1.00 H new ATOM 381 N VAL A 25 3.238 -13.552 3.334 1.00 1.00 N ATOM 382 CA VAL A 25 2.563 -12.272 3.133 1.00 1.00 C ATOM 383 C VAL A 25 1.652 -11.965 4.320 1.00 1.00 C ATOM 384 O VAL A 25 0.727 -12.719 4.621 1.00 1.00 O ATOM 385 CB VAL A 25 1.740 -12.314 1.840 1.00 1.00 C ATOM 386 CG1 VAL A 25 0.991 -13.645 1.746 1.00 1.00 C ATOM 387 CG2 VAL A 25 0.731 -11.158 1.832 1.00 1.00 C ATOM 0 H VAL A 25 2.657 -14.371 3.154 1.00 1.00 H new ATOM 0 HA VAL A 25 3.314 -11.486 3.053 1.00 1.00 H new ATOM 0 HB VAL A 25 2.411 -12.216 0.986 1.00 1.00 H new ATOM 0 HG11 VAL A 25 0.408 -13.670 0.826 1.00 1.00 H new ATOM 0 HG12 VAL A 25 1.708 -14.466 1.744 1.00 1.00 H new ATOM 0 HG13 VAL A 25 0.323 -13.748 2.602 1.00 1.00 H new ATOM 0 HG21 VAL A 25 0.148 -11.191 0.912 1.00 1.00 H new ATOM 0 HG22 VAL A 25 0.063 -11.252 2.688 1.00 1.00 H new ATOM 0 HG23 VAL A 25 1.264 -10.209 1.890 1.00 1.00 H new ATOM 397 N THR A 26 1.900 -10.837 4.971 1.00 1.00 N ATOM 398 CA THR A 26 1.079 -10.420 6.107 1.00 1.00 C ATOM 399 C THR A 26 0.730 -8.938 6.002 1.00 1.00 C ATOM 400 O THR A 26 1.431 -8.165 5.353 1.00 1.00 O ATOM 401 CB THR A 26 1.838 -10.693 7.414 1.00 1.00 C ATOM 402 OG1 THR A 26 3.232 -10.531 7.192 1.00 1.00 O ATOM 403 CG2 THR A 26 1.558 -12.117 7.887 1.00 1.00 C ATOM 0 H THR A 26 2.657 -10.195 4.737 1.00 1.00 H new ATOM 0 HA THR A 26 0.150 -10.991 6.101 1.00 1.00 H new ATOM 0 HB THR A 26 1.505 -9.990 8.178 1.00 1.00 H new ATOM 0 HG1 THR A 26 3.718 -10.703 8.025 1.00 1.00 H new ATOM 0 HG21 THR A 26 2.099 -12.305 8.814 1.00 1.00 H new ATOM 0 HG22 THR A 26 0.489 -12.240 8.059 1.00 1.00 H new ATOM 0 HG23 THR A 26 1.886 -12.824 7.126 1.00 1.00 H new ATOM 411 N ALA A 27 -0.362 -8.550 6.651 1.00 1.00 N ATOM 412 CA ALA A 27 -0.796 -7.163 6.634 1.00 1.00 C ATOM 413 C ALA A 27 0.100 -6.302 7.527 1.00 1.00 C ATOM 414 O ALA A 27 0.591 -5.257 7.117 1.00 1.00 O ATOM 415 CB ALA A 27 -2.253 -7.068 7.118 1.00 1.00 C ATOM 0 H ALA A 27 -0.959 -9.175 7.193 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.725 -6.792 5.611 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.574 -6.026 7.104 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -2.894 -7.654 6.460 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -2.325 -7.456 8.134 1.00 1.00 H new ATOM 421 N ASP A 28 0.296 -6.749 8.755 1.00 1.00 N ATOM 422 CA ASP A 28 1.117 -6.012 9.704 1.00 1.00 C ATOM 423 C ASP A 28 2.596 -6.193 9.386 1.00 1.00 C ATOM 424 O ASP A 28 3.457 -5.963 10.235 1.00 1.00 O ATOM 425 CB ASP A 28 0.834 -6.488 11.132 1.00 1.00 C ATOM 426 CG ASP A 28 -0.605 -6.167 11.519 1.00 1.00 C ATOM 427 OD1 ASP A 28 -0.856 -5.035 11.897 1.00 1.00 O ATOM 428 OD2 ASP A 28 -1.437 -7.055 11.425 1.00 1.00 O ATOM 0 H ASP A 28 -0.100 -7.616 9.119 1.00 1.00 H new ATOM 0 HA ASP A 28 0.866 -4.954 9.623 1.00 1.00 H new ATOM 0 HB2 ASP A 28 1.007 -7.562 11.206 1.00 1.00 H new ATOM 0 HB3 ASP A 28 1.521 -6.005 11.827 1.00 1.00 H new ATOM 433 N SER A 29 2.881 -6.628 8.165 1.00 1.00 N ATOM 434 CA SER A 29 4.255 -6.854 7.749 1.00 1.00 C ATOM 435 C SER A 29 4.994 -5.536 7.576 1.00 1.00 C ATOM 436 O SER A 29 6.208 -5.525 7.373 1.00 1.00 O ATOM 437 CB SER A 29 4.287 -7.631 6.432 1.00 1.00 C ATOM 438 OG SER A 29 4.081 -6.729 5.350 1.00 1.00 O ATOM 0 H SER A 29 2.182 -6.830 7.450 1.00 1.00 H new ATOM 0 HA SER A 29 4.751 -7.435 8.527 1.00 1.00 H new ATOM 0 HB2 SER A 29 5.244 -8.140 6.319 1.00 1.00 H new ATOM 0 HB3 SER A 29 3.515 -8.401 6.431 1.00 1.00 H new ATOM 0 HG SER A 29 4.102 -7.223 4.504 1.00 1.00 H new ATOM 444 N GLU A 30 4.255 -4.435 7.650 1.00 1.00 N ATOM 445 CA GLU A 30 4.850 -3.109 7.500 1.00 1.00 C ATOM 446 C GLU A 30 5.525 -2.985 6.139 1.00 1.00 C ATOM 447 O GLU A 30 6.309 -3.845 5.740 1.00 1.00 O ATOM 448 CB GLU A 30 5.871 -2.865 8.610 1.00 1.00 C ATOM 449 CG GLU A 30 5.180 -2.959 9.972 1.00 1.00 C ATOM 450 CD GLU A 30 6.203 -2.781 11.087 1.00 1.00 C ATOM 451 OE1 GLU A 30 7.360 -2.559 10.772 1.00 1.00 O ATOM 452 OE2 GLU A 30 5.812 -2.873 12.239 1.00 1.00 O ATOM 0 H GLU A 30 3.248 -4.432 7.812 1.00 1.00 H new ATOM 0 HA GLU A 30 4.060 -2.361 7.571 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.674 -3.599 8.547 1.00 1.00 H new ATOM 0 HB3 GLU A 30 6.327 -1.882 8.489 1.00 1.00 H new ATOM 0 HG2 GLU A 30 4.407 -2.195 10.051 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.685 -3.925 10.072 1.00 1.00 H new ATOM 600 N THR A 41 7.850 6.006 -1.712 1.00 1.00 N ATOM 601 CA THR A 41 6.398 6.011 -1.595 1.00 1.00 C ATOM 602 C THR A 41 5.753 6.344 -2.933 1.00 1.00 C ATOM 603 O THR A 41 4.643 5.905 -3.215 1.00 1.00 O ATOM 604 CB THR A 41 5.959 7.037 -0.547 1.00 1.00 C ATOM 605 OG1 THR A 41 6.686 6.826 0.654 1.00 1.00 O ATOM 606 CG2 THR A 41 4.458 6.887 -0.272 1.00 1.00 C ATOM 0 HA THR A 41 6.076 5.016 -1.286 1.00 1.00 H new ATOM 0 HB THR A 41 6.156 8.042 -0.921 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.608 6.575 0.438 1.00 1.00 H new ATOM 0 HG21 THR A 41 4.150 7.619 0.474 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.901 7.052 -1.194 1.00 1.00 H new ATOM 0 HG23 THR A 41 4.255 5.883 0.099 1.00 1.00 H new ATOM 614 N VAL A 42 6.455 7.123 -3.745 1.00 1.00 N ATOM 615 CA VAL A 42 5.948 7.512 -5.055 1.00 1.00 C ATOM 616 C VAL A 42 5.773 6.285 -5.945 1.00 1.00 C ATOM 617 O VAL A 42 4.836 6.197 -6.732 1.00 1.00 O ATOM 618 CB VAL A 42 6.901 8.501 -5.719 1.00 1.00 C ATOM 619 CG1 VAL A 42 6.406 8.823 -7.132 1.00 1.00 C ATOM 620 CG2 VAL A 42 6.956 9.788 -4.892 1.00 1.00 C ATOM 0 H VAL A 42 7.377 7.498 -3.520 1.00 1.00 H new ATOM 0 HA VAL A 42 4.978 7.990 -4.920 1.00 1.00 H new ATOM 0 HB VAL A 42 7.897 8.061 -5.777 1.00 1.00 H new ATOM 0 HG11 VAL A 42 7.088 9.530 -7.604 1.00 1.00 H new ATOM 0 HG12 VAL A 42 6.367 7.907 -7.721 1.00 1.00 H new ATOM 0 HG13 VAL A 42 5.410 9.262 -7.077 1.00 1.00 H new ATOM 0 HG21 VAL A 42 7.637 10.496 -5.365 1.00 1.00 H new ATOM 0 HG22 VAL A 42 5.960 10.226 -4.834 1.00 1.00 H new ATOM 0 HG23 VAL A 42 7.311 9.560 -3.887 1.00 1.00 H new ATOM 630 N GLU A 43 6.706 5.355 -5.848 1.00 1.00 N ATOM 631 CA GLU A 43 6.646 4.142 -6.657 1.00 1.00 C ATOM 632 C GLU A 43 5.545 3.213 -6.163 1.00 1.00 C ATOM 633 O GLU A 43 4.821 2.608 -6.956 1.00 1.00 O ATOM 634 CB GLU A 43 7.993 3.419 -6.608 1.00 1.00 C ATOM 635 CG GLU A 43 7.978 2.244 -7.589 1.00 1.00 C ATOM 636 CD GLU A 43 9.326 1.526 -7.565 1.00 1.00 C ATOM 637 OE1 GLU A 43 10.268 2.095 -7.039 1.00 1.00 O ATOM 638 OE2 GLU A 43 9.395 0.418 -8.073 1.00 1.00 O ATOM 0 H GLU A 43 7.510 5.411 -5.223 1.00 1.00 H new ATOM 0 HA GLU A 43 6.422 4.426 -7.685 1.00 1.00 H new ATOM 0 HB2 GLU A 43 8.797 4.109 -6.863 1.00 1.00 H new ATOM 0 HB3 GLU A 43 8.189 3.060 -5.597 1.00 1.00 H new ATOM 0 HG2 GLU A 43 7.182 1.549 -7.324 1.00 1.00 H new ATOM 0 HG3 GLU A 43 7.766 2.603 -8.596 1.00 1.00 H new ATOM 645 N ILE A 44 5.455 3.063 -4.844 1.00 1.00 N ATOM 646 CA ILE A 44 4.465 2.167 -4.256 1.00 1.00 C ATOM 647 C ILE A 44 3.053 2.693 -4.448 1.00 1.00 C ATOM 648 O ILE A 44 2.165 1.960 -4.883 1.00 1.00 O ATOM 649 CB ILE A 44 4.743 2.003 -2.757 1.00 1.00 C ATOM 650 CG1 ILE A 44 6.214 1.629 -2.546 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.855 0.893 -2.189 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.564 0.371 -3.349 1.00 1.00 C ATOM 0 H ILE A 44 6.049 3.545 -4.169 1.00 1.00 H new ATOM 0 HA ILE A 44 4.544 1.204 -4.761 1.00 1.00 H new ATOM 0 HB ILE A 44 4.527 2.942 -2.247 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.854 2.455 -2.855 1.00 1.00 H new ATOM 0 HG13 ILE A 44 6.404 1.457 -1.487 1.00 1.00 H new ATOM 0 HG21 ILE A 44 4.054 0.778 -1.123 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.807 1.154 -2.337 1.00 1.00 H new ATOM 0 HG23 ILE A 44 4.071 -0.044 -2.702 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.612 0.117 -3.189 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.936 -0.457 -3.020 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.393 0.557 -4.409 1.00 1.00 H new ATOM 664 N VAL A 45 2.852 3.960 -4.114 1.00 1.00 N ATOM 665 CA VAL A 45 1.533 4.567 -4.226 1.00 1.00 C ATOM 666 C VAL A 45 1.002 4.433 -5.650 1.00 1.00 C ATOM 667 O VAL A 45 -0.163 4.095 -5.855 1.00 1.00 O ATOM 668 CB VAL A 45 1.605 6.045 -3.848 1.00 1.00 C ATOM 669 CG1 VAL A 45 2.451 6.797 -4.867 1.00 1.00 C ATOM 670 CG2 VAL A 45 0.198 6.636 -3.831 1.00 1.00 C ATOM 0 H VAL A 45 3.580 4.584 -3.766 1.00 1.00 H new ATOM 0 HA VAL A 45 0.857 4.049 -3.545 1.00 1.00 H new ATOM 0 HB VAL A 45 2.056 6.140 -2.860 1.00 1.00 H new ATOM 0 HG11 VAL A 45 2.499 7.851 -4.593 1.00 1.00 H new ATOM 0 HG12 VAL A 45 3.458 6.380 -4.883 1.00 1.00 H new ATOM 0 HG13 VAL A 45 2.002 6.699 -5.855 1.00 1.00 H new ATOM 0 HG21 VAL A 45 0.250 7.691 -3.561 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.251 6.536 -4.819 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -0.411 6.104 -3.100 1.00 1.00 H new ATOM 680 N MET A 46 1.859 4.701 -6.623 1.00 1.00 N ATOM 681 CA MET A 46 1.459 4.607 -8.014 1.00 1.00 C ATOM 682 C MET A 46 1.082 3.184 -8.382 1.00 1.00 C ATOM 683 O MET A 46 0.127 2.966 -9.132 1.00 1.00 O ATOM 684 CB MET A 46 2.603 5.093 -8.919 1.00 1.00 C ATOM 685 CG MET A 46 2.688 6.627 -8.886 1.00 1.00 C ATOM 686 SD MET A 46 1.095 7.372 -9.330 1.00 1.00 S ATOM 687 CE MET A 46 0.913 6.567 -10.936 1.00 1.00 C ATOM 0 H MET A 46 2.828 4.983 -6.475 1.00 1.00 H new ATOM 0 HA MET A 46 0.583 5.239 -8.159 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.548 4.662 -8.587 1.00 1.00 H new ATOM 0 HB3 MET A 46 2.438 4.752 -9.941 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.984 6.958 -7.890 1.00 1.00 H new ATOM 0 HG3 MET A 46 3.459 6.968 -9.577 1.00 1.00 H new ATOM 0 HE1 MET A 46 0.272 7.173 -11.576 1.00 1.00 H new ATOM 0 HE2 MET A 46 1.892 6.459 -11.402 1.00 1.00 H new ATOM 0 HE3 MET A 46 0.465 5.583 -10.801 1.00 1.00 H new ATOM 697 N ASN A 47 1.831 2.229 -7.863 1.00 1.00 N ATOM 698 CA ASN A 47 1.564 0.827 -8.158 1.00 1.00 C ATOM 699 C ASN A 47 0.157 0.449 -7.702 1.00 1.00 C ATOM 700 O ASN A 47 -0.585 -0.203 -8.434 1.00 1.00 O ATOM 701 CB ASN A 47 2.596 -0.059 -7.443 1.00 1.00 C ATOM 702 CG ASN A 47 2.711 -1.400 -8.149 1.00 1.00 C ATOM 703 OD1 ASN A 47 3.774 -2.005 -8.155 1.00 1.00 O ATOM 704 ND2 ASN A 47 1.674 -1.897 -8.758 1.00 1.00 N ATOM 0 H ASN A 47 2.622 2.392 -7.241 1.00 1.00 H new ATOM 0 HA ASN A 47 1.638 0.673 -9.235 1.00 1.00 H new ATOM 0 HB2 ASN A 47 3.566 0.438 -7.429 1.00 1.00 H new ATOM 0 HB3 ASN A 47 2.300 -0.210 -6.405 1.00 1.00 H new ATOM 0 HD21 ASN A 47 1.747 -2.792 -9.241 1.00 1.00 H new ATOM 0 HD22 ASN A 47 0.788 -1.391 -8.752 1.00 1.00 H new ATOM 711 N LEU A 48 -0.205 0.873 -6.499 1.00 1.00 N ATOM 712 CA LEU A 48 -1.534 0.584 -5.969 1.00 1.00 C ATOM 713 C LEU A 48 -2.593 1.355 -6.739 1.00 1.00 C ATOM 714 O LEU A 48 -3.601 0.792 -7.161 1.00 1.00 O ATOM 715 CB LEU A 48 -1.595 0.972 -4.484 1.00 1.00 C ATOM 716 CG LEU A 48 -0.428 0.315 -3.728 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.181 1.063 -2.423 1.00 1.00 C ATOM 718 CD2 LEU A 48 -0.775 -1.143 -3.417 1.00 1.00 C ATOM 0 H LEU A 48 0.395 1.413 -5.875 1.00 1.00 H new ATOM 0 HA LEU A 48 -1.728 -0.483 -6.077 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.545 2.056 -4.379 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.545 0.654 -4.054 1.00 1.00 H new ATOM 0 HG LEU A 48 0.469 0.353 -4.346 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.646 0.597 -1.887 1.00 1.00 H new ATOM 0 HD12 LEU A 48 0.067 2.102 -2.640 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.079 1.026 -1.807 1.00 1.00 H new ATOM 0 HD21 LEU A 48 0.053 -1.608 -2.881 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.673 -1.180 -2.800 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -0.952 -1.681 -4.348 1.00 1.00 H new ATOM 730 N GLU A 49 -2.344 2.639 -6.954 1.00 1.00 N ATOM 731 CA GLU A 49 -3.288 3.474 -7.688 1.00 1.00 C ATOM 732 C GLU A 49 -3.436 2.964 -9.118 1.00 1.00 C ATOM 733 O GLU A 49 -4.538 2.925 -9.665 1.00 1.00 O ATOM 734 CB GLU A 49 -2.794 4.922 -7.714 1.00 1.00 C ATOM 735 CG GLU A 49 -3.881 5.825 -8.301 1.00 1.00 C ATOM 736 CD GLU A 49 -3.361 7.253 -8.424 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.174 7.449 -8.234 1.00 1.00 O ATOM 738 OE2 GLU A 49 -4.159 8.128 -8.707 1.00 1.00 O ATOM 0 H GLU A 49 -1.505 3.123 -6.635 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.256 3.430 -7.188 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.541 5.249 -6.705 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -1.885 4.996 -8.310 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.184 5.454 -9.280 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -4.765 5.805 -7.664 1.00 1.00 H new ATOM 745 N GLU A 50 -2.317 2.572 -9.721 1.00 1.00 N ATOM 746 CA GLU A 50 -2.335 2.060 -11.086 1.00 1.00 C ATOM 747 C GLU A 50 -2.999 0.686 -11.131 1.00 1.00 C ATOM 748 O GLU A 50 -3.813 0.405 -12.012 1.00 1.00 O ATOM 749 CB GLU A 50 -0.910 1.958 -11.629 1.00 1.00 C ATOM 750 CG GLU A 50 -0.951 1.690 -13.135 1.00 1.00 C ATOM 751 CD GLU A 50 -1.443 2.931 -13.870 1.00 1.00 C ATOM 752 OE1 GLU A 50 -1.589 3.957 -13.228 1.00 1.00 O ATOM 753 OE2 GLU A 50 -1.661 2.838 -15.066 1.00 1.00 O ATOM 0 H GLU A 50 -1.393 2.599 -9.289 1.00 1.00 H new ATOM 0 HA GLU A 50 -2.907 2.751 -11.705 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.367 2.882 -11.429 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.373 1.156 -11.121 1.00 1.00 H new ATOM 0 HG2 GLU A 50 0.042 1.415 -13.491 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -1.610 0.847 -13.345 1.00 1.00 H new ATOM 760 N GLU A 51 -2.639 -0.173 -10.174 1.00 1.00 N ATOM 761 CA GLU A 51 -3.206 -1.516 -10.125 1.00 1.00 C ATOM 762 C GLU A 51 -4.701 -1.456 -9.830 1.00 1.00 C ATOM 763 O GLU A 51 -5.517 -1.958 -10.602 1.00 1.00 O ATOM 764 CB GLU A 51 -2.501 -2.332 -9.039 1.00 1.00 C ATOM 765 CG GLU A 51 -2.966 -3.790 -9.110 1.00 1.00 C ATOM 766 CD GLU A 51 -2.407 -4.453 -10.363 1.00 1.00 C ATOM 767 OE1 GLU A 51 -1.589 -3.834 -11.025 1.00 1.00 O ATOM 768 OE2 GLU A 51 -2.806 -5.569 -10.646 1.00 1.00 O ATOM 0 H GLU A 51 -1.968 0.036 -9.435 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.060 -1.992 -11.095 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -1.421 -2.277 -9.172 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -2.722 -1.916 -8.056 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -2.634 -4.330 -8.223 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -4.055 -3.833 -9.120 1.00 1.00 H new ATOM 775 N PHE A 52 -5.052 -0.838 -8.708 1.00 1.00 N ATOM 776 CA PHE A 52 -6.453 -0.714 -8.317 1.00 1.00 C ATOM 777 C PHE A 52 -7.200 0.183 -9.297 1.00 1.00 C ATOM 778 O PHE A 52 -8.392 -0.005 -9.538 1.00 1.00 O ATOM 779 CB PHE A 52 -6.557 -0.146 -6.902 1.00 1.00 C ATOM 780 CG PHE A 52 -6.112 -1.190 -5.901 1.00 1.00 C ATOM 781 CD1 PHE A 52 -6.841 -2.378 -5.759 1.00 1.00 C ATOM 782 CD2 PHE A 52 -4.974 -0.973 -5.116 1.00 1.00 C ATOM 783 CE1 PHE A 52 -6.429 -3.342 -4.836 1.00 1.00 C ATOM 784 CE2 PHE A 52 -4.563 -1.936 -4.196 1.00 1.00 C ATOM 785 CZ PHE A 52 -5.289 -3.118 -4.054 1.00 1.00 C ATOM 0 H PHE A 52 -4.391 -0.417 -8.056 1.00 1.00 H new ATOM 0 HA PHE A 52 -6.907 -1.705 -8.334 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -5.938 0.746 -6.811 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.584 0.156 -6.695 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -7.720 -2.548 -6.362 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -4.413 -0.057 -5.223 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -6.989 -4.259 -4.726 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -3.683 -1.767 -3.593 1.00 1.00 H new ATOM 0 HZ PHE A 52 -4.971 -3.863 -3.339 1.00 1.00 H new ATOM 795 N GLY A 53 -6.494 1.165 -9.846 1.00 1.00 N ATOM 796 CA GLY A 53 -7.103 2.089 -10.792 1.00 1.00 C ATOM 797 C GLY A 53 -7.943 3.131 -10.067 1.00 1.00 C ATOM 798 O GLY A 53 -9.040 3.471 -10.513 1.00 1.00 O ATOM 0 H GLY A 53 -5.508 1.340 -9.654 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -6.326 2.584 -11.375 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -7.727 1.538 -11.495 1.00 1.00 H new ATOM 802 N ILE A 54 -7.433 3.624 -8.943 1.00 1.00 N ATOM 803 CA ILE A 54 -8.152 4.624 -8.155 1.00 1.00 C ATOM 804 C ILE A 54 -7.440 5.965 -8.214 1.00 1.00 C ATOM 805 O ILE A 54 -6.572 6.179 -9.060 1.00 1.00 O ATOM 806 CB ILE A 54 -8.252 4.159 -6.709 1.00 1.00 C ATOM 807 CG1 ILE A 54 -6.860 3.812 -6.177 1.00 1.00 C ATOM 808 CG2 ILE A 54 -9.155 2.926 -6.624 1.00 1.00 C ATOM 809 CD1 ILE A 54 -6.936 3.457 -4.687 1.00 1.00 C ATOM 0 H ILE A 54 -6.529 3.350 -8.557 1.00 1.00 H new ATOM 0 HA ILE A 54 -9.152 4.743 -8.571 1.00 1.00 H new ATOM 0 HB ILE A 54 -8.677 4.961 -6.106 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.447 2.973 -6.738 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.186 4.656 -6.323 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.224 2.596 -5.587 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -10.150 3.178 -6.992 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -8.735 2.125 -7.232 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -5.939 3.212 -4.320 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.329 4.308 -4.130 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.594 2.599 -4.551 1.00 1.00 H new ATOM 821 N ASN A 55 -7.810 6.871 -7.312 1.00 1.00 N ATOM 822 CA ASN A 55 -7.196 8.197 -7.266 1.00 1.00 C ATOM 823 C ASN A 55 -6.724 8.509 -5.855 1.00 1.00 C ATOM 824 O ASN A 55 -7.411 9.190 -5.094 1.00 1.00 O ATOM 825 CB ASN A 55 -8.205 9.254 -7.713 1.00 1.00 C ATOM 826 CG ASN A 55 -9.505 9.100 -6.933 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.589 8.197 -5.994 1.00 1.00 O flip ATOM 828 ND2 ASN A 55 -10.470 9.822 -7.185 1.00 1.00 N flip ATOM 0 H ASN A 55 -8.529 6.713 -6.606 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.339 8.208 -7.939 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.793 10.251 -7.555 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.399 9.154 -8.781 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -10.402 10.527 -7.919 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -11.338 9.715 -6.660 1.00 1.00 H new ATOM 835 N VAL A 56 -5.539 8.014 -5.508 1.00 1.00 N ATOM 836 CA VAL A 56 -4.980 8.249 -4.178 1.00 1.00 C ATOM 837 C VAL A 56 -4.080 9.483 -4.191 1.00 1.00 C ATOM 838 O VAL A 56 -3.158 9.585 -5.000 1.00 1.00 O ATOM 839 CB VAL A 56 -4.170 7.027 -3.731 1.00 1.00 C ATOM 840 CG1 VAL A 56 -2.863 6.953 -4.524 1.00 1.00 C ATOM 841 CG2 VAL A 56 -3.855 7.142 -2.234 1.00 1.00 C ATOM 0 H VAL A 56 -4.951 7.452 -6.123 1.00 1.00 H new ATOM 0 HA VAL A 56 -5.800 8.416 -3.479 1.00 1.00 H new ATOM 0 HB VAL A 56 -4.752 6.124 -3.913 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.291 6.083 -4.202 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -3.087 6.867 -5.587 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -2.279 7.856 -4.348 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -3.279 6.273 -1.916 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -3.276 8.048 -2.053 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -4.786 7.187 -1.669 1.00 1.00 H new ATOM 851 N ASP A 57 -4.353 10.412 -3.285 1.00 1.00 N ATOM 852 CA ASP A 57 -3.557 11.632 -3.193 1.00 1.00 C ATOM 853 C ASP A 57 -2.304 11.396 -2.356 1.00 1.00 C ATOM 854 O ASP A 57 -2.252 10.474 -1.543 1.00 1.00 O ATOM 855 CB ASP A 57 -4.392 12.748 -2.567 1.00 1.00 C ATOM 856 CG ASP A 57 -5.055 12.250 -1.291 1.00 1.00 C ATOM 857 OD1 ASP A 57 -5.690 11.210 -1.347 1.00 1.00 O ATOM 858 OD2 ASP A 57 -4.926 12.919 -0.278 1.00 1.00 O ATOM 0 H ASP A 57 -5.113 10.347 -2.608 1.00 1.00 H new ATOM 0 HA ASP A 57 -3.254 11.924 -4.198 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -3.758 13.607 -2.346 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -5.151 13.085 -3.273 1.00 1.00 H new ATOM 863 N GLU A 58 -1.298 12.240 -2.557 1.00 1.00 N ATOM 864 CA GLU A 58 -0.049 12.118 -1.812 1.00 1.00 C ATOM 865 C GLU A 58 -0.285 12.381 -0.329 1.00 1.00 C ATOM 866 O GLU A 58 0.373 11.790 0.527 1.00 1.00 O ATOM 867 CB GLU A 58 0.979 13.115 -2.353 1.00 1.00 C ATOM 868 CG GLU A 58 1.397 12.700 -3.764 1.00 1.00 C ATOM 869 CD GLU A 58 2.355 13.733 -4.348 1.00 1.00 C ATOM 870 OE1 GLU A 58 2.630 14.708 -3.668 1.00 1.00 O ATOM 871 OE2 GLU A 58 2.800 13.534 -5.467 1.00 1.00 O ATOM 0 H GLU A 58 -1.321 13.011 -3.224 1.00 1.00 H new ATOM 0 HA GLU A 58 0.330 11.103 -1.934 1.00 1.00 H new ATOM 0 HB2 GLU A 58 0.555 14.119 -2.368 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.850 13.147 -1.699 1.00 1.00 H new ATOM 0 HG2 GLU A 58 1.876 11.721 -3.737 1.00 1.00 H new ATOM 0 HG3 GLU A 58 0.517 12.607 -4.400 1.00 1.00 H new ATOM 878 N ASP A 59 -1.225 13.271 -0.031 1.00 1.00 N ATOM 879 CA ASP A 59 -1.535 13.607 1.353 1.00 1.00 C ATOM 880 C ASP A 59 -2.109 12.396 2.075 1.00 1.00 C ATOM 881 O ASP A 59 -2.009 12.282 3.298 1.00 1.00 O ATOM 882 CB ASP A 59 -2.544 14.755 1.400 1.00 1.00 C ATOM 883 CG ASP A 59 -1.888 16.043 0.916 1.00 1.00 C ATOM 884 OD1 ASP A 59 -0.671 16.075 0.850 1.00 1.00 O ATOM 885 OD2 ASP A 59 -2.614 16.976 0.614 1.00 1.00 O ATOM 0 H ASP A 59 -1.782 13.770 -0.725 1.00 1.00 H new ATOM 0 HA ASP A 59 -0.615 13.914 1.849 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -3.406 14.519 0.776 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -2.913 14.885 2.417 1.00 1.00 H new ATOM 890 N LYS A 60 -2.714 11.489 1.315 1.00 1.00 N ATOM 891 CA LYS A 60 -3.298 10.288 1.897 1.00 1.00 C ATOM 892 C LYS A 60 -2.298 9.141 1.871 1.00 1.00 C ATOM 893 O LYS A 60 -2.506 8.110 2.504 1.00 1.00 O ATOM 894 CB LYS A 60 -4.555 9.888 1.117 1.00 1.00 C ATOM 895 CG LYS A 60 -5.422 8.946 1.977 1.00 1.00 C ATOM 896 CD LYS A 60 -6.374 9.775 2.840 1.00 1.00 C ATOM 897 CE LYS A 60 -7.228 8.842 3.692 1.00 1.00 C ATOM 898 NZ LYS A 60 -8.171 9.649 4.516 1.00 1.00 N ATOM 0 H LYS A 60 -2.812 11.562 0.302 1.00 1.00 H new ATOM 0 HA LYS A 60 -3.564 10.501 2.932 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -5.125 10.777 0.846 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -4.276 9.393 0.187 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -5.989 8.271 1.337 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -4.787 8.326 2.610 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -5.807 10.452 3.479 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -7.011 10.393 2.207 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -7.783 8.154 3.054 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -6.592 8.236 4.337 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -8.754 9.014 5.098 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -7.632 10.288 5.135 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -8.786 10.209 3.892 1.00 1.00 H new ATOM 912 N ALA A 61 -1.213 9.322 1.132 1.00 1.00 N ATOM 913 CA ALA A 61 -0.180 8.287 1.027 1.00 1.00 C ATOM 914 C ALA A 61 1.154 8.818 1.520 1.00 1.00 C ATOM 915 O ALA A 61 2.192 8.552 0.921 1.00 1.00 O ATOM 916 CB ALA A 61 -0.043 7.833 -0.426 1.00 1.00 C ATOM 0 H ALA A 61 -1.020 10.169 0.597 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.475 7.440 1.646 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.726 7.064 -0.496 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -0.994 7.427 -0.772 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.236 8.683 -1.048 1.00 1.00 H new ATOM 922 N GLN A 62 1.122 9.583 2.609 1.00 1.00 N ATOM 923 CA GLN A 62 2.346 10.154 3.180 1.00 1.00 C ATOM 924 C GLN A 62 2.573 9.632 4.589 1.00 1.00 C ATOM 925 O GLN A 62 3.714 9.428 5.004 1.00 1.00 O ATOM 926 CB GLN A 62 2.241 11.677 3.205 1.00 1.00 C ATOM 927 CG GLN A 62 1.066 12.096 4.090 1.00 1.00 C ATOM 928 CD GLN A 62 0.848 13.602 3.987 1.00 1.00 C ATOM 929 OE1 GLN A 62 1.518 14.276 3.206 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.062 14.173 4.731 1.00 1.00 N ATOM 0 H GLN A 62 0.268 9.823 3.113 1.00 1.00 H new ATOM 0 HA GLN A 62 3.191 9.857 2.559 1.00 1.00 H new ATOM 0 HB2 GLN A 62 3.167 12.109 3.584 1.00 1.00 H new ATOM 0 HB3 GLN A 62 2.102 12.059 2.194 1.00 1.00 H new ATOM 0 HG2 GLN A 62 0.163 11.568 3.784 1.00 1.00 H new ATOM 0 HG3 GLN A 62 1.263 11.818 5.126 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -0.617 13.613 5.378 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -0.218 15.179 4.665 1.00 1.00 H new ATOM 939 N ASP A 63 1.486 9.428 5.329 1.00 1.00 N ATOM 940 CA ASP A 63 1.578 8.940 6.703 1.00 1.00 C ATOM 941 C ASP A 63 0.647 7.756 6.917 1.00 1.00 C ATOM 942 O ASP A 63 -0.052 7.679 7.926 1.00 1.00 O ATOM 943 CB ASP A 63 1.213 10.061 7.675 1.00 1.00 C ATOM 944 CG ASP A 63 -0.211 10.536 7.418 1.00 1.00 C ATOM 945 OD1 ASP A 63 -0.908 9.873 6.669 1.00 1.00 O ATOM 946 OD2 ASP A 63 -0.585 11.556 7.974 1.00 1.00 O ATOM 0 H ASP A 63 0.534 9.592 5.002 1.00 1.00 H new ATOM 0 HA ASP A 63 2.602 8.616 6.886 1.00 1.00 H new ATOM 0 HB2 ASP A 63 1.306 9.707 8.702 1.00 1.00 H new ATOM 0 HB3 ASP A 63 1.908 10.893 7.560 1.00 1.00 H new ATOM 951 N ILE A 64 0.648 6.829 5.966 1.00 1.00 N ATOM 952 CA ILE A 64 -0.191 5.641 6.066 1.00 1.00 C ATOM 953 C ILE A 64 0.530 4.530 6.810 1.00 1.00 C ATOM 954 O ILE A 64 1.673 4.205 6.502 1.00 1.00 O ATOM 955 CB ILE A 64 -0.578 5.153 4.664 1.00 1.00 C ATOM 956 CG1 ILE A 64 -1.433 6.220 3.968 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.380 3.854 4.771 1.00 1.00 C ATOM 958 CD1 ILE A 64 -2.734 6.461 4.760 1.00 1.00 C ATOM 0 H ILE A 64 1.217 6.876 5.121 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.091 5.905 6.622 1.00 1.00 H new ATOM 0 HB ILE A 64 0.328 4.973 4.085 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -0.871 7.150 3.886 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -1.670 5.901 2.953 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.653 3.511 3.773 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.775 3.093 5.263 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.284 4.032 5.353 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -3.332 7.220 4.256 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.302 5.532 4.819 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -2.490 6.801 5.766 1.00 1.00 H new ATOM 970 N SER A 65 -0.158 3.939 7.782 1.00 1.00 N ATOM 971 CA SER A 65 0.416 2.846 8.561 1.00 1.00 C ATOM 972 C SER A 65 0.732 1.657 7.660 1.00 1.00 C ATOM 973 O SER A 65 0.670 1.762 6.437 1.00 1.00 O ATOM 974 CB SER A 65 -0.549 2.418 9.667 1.00 1.00 C ATOM 975 OG SER A 65 0.186 1.818 10.723 1.00 1.00 O ATOM 0 H SER A 65 -1.108 4.196 8.048 1.00 1.00 H new ATOM 0 HA SER A 65 1.342 3.198 9.016 1.00 1.00 H new ATOM 0 HB2 SER A 65 -1.102 3.281 10.038 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.283 1.715 9.273 1.00 1.00 H new ATOM 0 HG SER A 65 -0.429 1.544 11.435 1.00 1.00 H new ATOM 981 N THR A 66 1.089 0.536 8.274 1.00 1.00 N ATOM 982 CA THR A 66 1.417 -0.669 7.523 1.00 1.00 C ATOM 983 C THR A 66 0.336 -0.973 6.493 1.00 1.00 C ATOM 984 O THR A 66 -0.584 -0.181 6.285 1.00 1.00 O ATOM 985 CB THR A 66 1.563 -1.855 8.478 1.00 1.00 C ATOM 986 OG1 THR A 66 1.887 -3.024 7.732 1.00 1.00 O ATOM 987 CG2 THR A 66 0.250 -2.088 9.229 1.00 1.00 C ATOM 0 H THR A 66 1.159 0.436 9.287 1.00 1.00 H new ATOM 0 HA THR A 66 2.360 -0.503 7.002 1.00 1.00 H new ATOM 0 HB THR A 66 2.355 -1.639 9.195 1.00 1.00 H new ATOM 0 HG1 THR A 66 1.117 -3.631 7.724 1.00 1.00 H new ATOM 0 HG21 THR A 66 0.364 -2.934 9.906 1.00 1.00 H new ATOM 0 HG22 THR A 66 -0.005 -1.196 9.802 1.00 1.00 H new ATOM 0 HG23 THR A 66 -0.545 -2.300 8.514 1.00 1.00 H new ATOM 995 N ILE A 67 0.461 -2.116 5.832 1.00 1.00 N ATOM 996 CA ILE A 67 -0.498 -2.502 4.807 1.00 1.00 C ATOM 997 C ILE A 67 -1.916 -2.513 5.361 1.00 1.00 C ATOM 998 O ILE A 67 -2.885 -2.374 4.616 1.00 1.00 O ATOM 999 CB ILE A 67 -0.147 -3.884 4.250 1.00 1.00 C ATOM 1000 CG1 ILE A 67 1.212 -3.815 3.536 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.222 -4.328 3.261 1.00 1.00 C ATOM 1002 CD1 ILE A 67 1.686 -5.235 3.219 1.00 1.00 C ATOM 0 H ILE A 67 1.212 -2.788 5.986 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.449 -1.767 4.004 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.093 -4.602 5.068 1.00 1.00 H new ATOM 0 HG12 ILE A 67 1.125 -3.234 2.618 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.942 -3.307 4.166 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -0.969 -5.312 2.866 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.185 -4.377 3.769 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.280 -3.612 2.441 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.650 -5.192 2.712 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.788 -5.800 4.146 1.00 1.00 H new ATOM 0 HD13 ILE A 67 0.958 -5.726 2.573 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.033 -2.697 6.667 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.341 -2.746 7.305 1.00 1.00 C ATOM 1016 C GLN A 68 -4.168 -1.524 6.940 1.00 1.00 C ATOM 1017 O GLN A 68 -5.276 -1.648 6.418 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.171 -2.806 8.827 1.00 1.00 C ATOM 1019 CG GLN A 68 -2.677 -4.201 9.235 1.00 1.00 C ATOM 1020 CD GLN A 68 -3.853 -5.169 9.332 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -4.387 -5.641 8.240 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -4.312 -5.482 10.429 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.244 -2.814 7.303 1.00 1.00 H new ATOM 0 HA GLN A 68 -3.860 -3.638 6.954 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -2.460 -2.047 9.154 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.119 -2.587 9.318 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -1.955 -4.567 8.505 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -2.162 -4.146 10.194 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -3.893 -5.112 11.282 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -5.112 -6.112 10.486 1.00 1.00 H new ATOM 1031 N GLN A 69 -3.628 -0.345 7.217 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.335 0.892 6.917 1.00 1.00 C ATOM 1033 C GLN A 69 -4.436 1.111 5.412 1.00 1.00 C ATOM 1034 O GLN A 69 -5.482 1.509 4.906 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.604 2.078 7.557 1.00 1.00 C ATOM 1036 CG GLN A 69 -3.928 2.135 9.054 1.00 1.00 C ATOM 1037 CD GLN A 69 -5.380 2.555 9.259 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -6.118 1.902 9.996 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -5.837 3.608 8.638 1.00 1.00 N ATOM 0 H GLN A 69 -2.711 -0.219 7.645 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.342 0.816 7.326 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -2.529 1.977 7.411 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -3.905 3.007 7.074 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -3.755 1.160 9.509 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.263 2.841 9.552 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -5.222 4.147 8.028 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -6.809 3.892 8.763 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.340 0.862 4.711 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.315 1.066 3.266 1.00 1.00 C ATOM 1050 C ALA A 70 -4.460 0.311 2.601 1.00 1.00 C ATOM 1051 O ALA A 70 -5.151 0.852 1.741 1.00 1.00 O ATOM 1052 CB ALA A 70 -1.987 0.571 2.700 1.00 1.00 C ATOM 0 H ALA A 70 -2.465 0.522 5.111 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.428 2.131 3.063 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -1.971 0.725 1.621 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.167 1.125 3.157 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -1.872 -0.491 2.917 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.658 -0.937 3.009 1.00 1.00 N ATOM 1059 CA ALA A 71 -5.727 -1.745 2.446 1.00 1.00 C ATOM 1060 C ALA A 71 -7.089 -1.128 2.745 1.00 1.00 C ATOM 1061 O ALA A 71 -7.955 -1.069 1.877 1.00 1.00 O ATOM 1062 CB ALA A 71 -5.676 -3.157 3.039 1.00 1.00 C ATOM 0 H ALA A 71 -4.097 -1.406 3.721 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.588 -1.788 1.366 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -6.479 -3.759 2.614 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -4.715 -3.616 2.804 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -5.797 -3.102 4.121 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.263 -0.646 3.970 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.534 -0.048 4.368 1.00 1.00 C ATOM 1070 C ASP A 72 -8.760 1.261 3.602 1.00 1.00 C ATOM 1071 O ASP A 72 -9.876 1.551 3.175 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.519 0.239 5.882 1.00 1.00 C ATOM 1073 CG ASP A 72 -8.950 -1.005 6.651 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.058 -1.459 6.428 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -8.159 -1.490 7.441 1.00 1.00 O ATOM 0 H ASP A 72 -6.549 -0.656 4.699 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.342 -0.742 4.136 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -7.519 0.541 6.194 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.189 1.068 6.110 1.00 1.00 H new ATOM 1080 N VAL A 73 -7.700 2.047 3.455 1.00 1.00 N ATOM 1081 CA VAL A 73 -7.799 3.322 2.755 1.00 1.00 C ATOM 1082 C VAL A 73 -8.159 3.104 1.292 1.00 1.00 C ATOM 1083 O VAL A 73 -8.999 3.814 0.738 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.472 4.075 2.852 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -6.555 5.362 2.027 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -6.184 4.427 4.319 1.00 1.00 C ATOM 0 H VAL A 73 -6.769 1.826 3.808 1.00 1.00 H new ATOM 0 HA VAL A 73 -8.586 3.913 3.224 1.00 1.00 H new ATOM 0 HB VAL A 73 -5.670 3.445 2.467 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -5.609 5.900 2.095 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -6.757 5.114 0.985 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -7.358 5.990 2.412 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -5.238 4.964 4.385 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -6.986 5.056 4.706 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -6.124 3.512 4.908 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.528 2.111 0.675 1.00 1.00 N ATOM 1097 CA ILE A 74 -7.788 1.810 -0.724 1.00 1.00 C ATOM 1098 C ILE A 74 -9.242 1.386 -0.922 1.00 1.00 C ATOM 1099 O ILE A 74 -9.895 1.817 -1.871 1.00 1.00 O ATOM 1100 CB ILE A 74 -6.855 0.693 -1.204 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.430 1.234 -1.327 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.318 0.174 -2.565 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.442 0.071 -1.404 1.00 1.00 C ATOM 0 H ILE A 74 -6.838 1.506 1.120 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.603 2.711 -1.309 1.00 1.00 H new ATOM 0 HB ILE A 74 -6.877 -0.123 -0.482 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.343 1.857 -2.217 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.196 1.867 -0.471 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -6.649 -0.620 -2.899 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -8.332 -0.218 -2.479 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.304 0.989 -3.289 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.428 0.460 -1.492 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.522 -0.534 -0.501 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -4.671 -0.544 -2.274 1.00 1.00 H new ATOM 1115 N GLU A 75 -9.738 0.558 -0.016 1.00 1.00 N ATOM 1116 CA GLU A 75 -11.117 0.092 -0.100 1.00 1.00 C ATOM 1117 C GLU A 75 -12.060 1.270 -0.306 1.00 1.00 C ATOM 1118 O GLU A 75 -12.977 1.207 -1.125 1.00 1.00 O ATOM 1119 CB GLU A 75 -11.490 -0.657 1.184 1.00 1.00 C ATOM 1120 CG GLU A 75 -10.915 -2.072 1.140 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.185 -2.782 2.458 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -11.756 -2.162 3.340 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -10.817 -3.934 2.568 1.00 1.00 O ATOM 0 H GLU A 75 -9.213 0.196 0.780 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.210 -0.584 -0.950 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.104 -0.124 2.053 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -12.574 -0.698 1.291 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -11.363 -2.630 0.318 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -9.842 -2.032 0.951 1.00 1.00 H new ATOM 1130 N GLY A 76 -11.829 2.344 0.438 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.661 3.537 0.324 1.00 1.00 C ATOM 1132 C GLY A 76 -12.453 4.214 -1.023 1.00 1.00 C ATOM 1133 O GLY A 76 -13.359 4.857 -1.554 1.00 1.00 O ATOM 0 H GLY A 76 -11.077 2.415 1.124 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.710 3.267 0.442 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.419 4.233 1.127 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.246 4.077 -1.568 1.00 1.00 N ATOM 1138 CA LEU A 77 -10.922 4.684 -2.854 1.00 1.00 C ATOM 1139 C LEU A 77 -11.431 3.828 -4.000 1.00 1.00 C ATOM 1140 O LEU A 77 -11.411 4.241 -5.157 1.00 1.00 O ATOM 1141 CB LEU A 77 -9.411 4.868 -2.978 1.00 1.00 C ATOM 1142 CG LEU A 77 -8.934 5.919 -1.973 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.404 5.911 -1.909 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.419 7.318 -2.407 1.00 1.00 C ATOM 0 H LEU A 77 -10.481 3.554 -1.141 1.00 1.00 H new ATOM 0 HA LEU A 77 -11.411 5.657 -2.906 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -8.904 3.921 -2.796 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.155 5.177 -3.991 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.343 5.684 -0.990 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -7.066 6.660 -1.193 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.058 4.926 -1.595 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -6.997 6.141 -2.894 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -9.076 8.061 -1.687 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -9.016 7.553 -3.392 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -10.508 7.329 -2.449 1.00 1.00 H new ATOM 1156 N LEU A 78 -11.905 2.637 -3.673 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.440 1.732 -4.682 1.00 1.00 C ATOM 1158 C LEU A 78 -13.945 1.886 -4.809 1.00 1.00 C ATOM 1159 O LEU A 78 -14.549 1.401 -5.768 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.096 0.282 -4.309 1.00 1.00 C ATOM 1161 CG LEU A 78 -10.654 -0.038 -4.718 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.190 -1.314 -4.018 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -10.574 -0.238 -6.242 1.00 1.00 C ATOM 0 H LEU A 78 -11.931 2.273 -2.720 1.00 1.00 H new ATOM 0 HA LEU A 78 -11.989 1.982 -5.642 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.219 0.135 -3.236 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -12.784 -0.403 -4.805 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.011 0.793 -4.427 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.164 -1.538 -4.312 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.236 -1.174 -2.938 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -10.838 -2.142 -4.304 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -9.546 -0.465 -6.526 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -11.222 -1.064 -6.535 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -10.897 0.673 -6.746 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.550 2.529 -3.822 1.00 1.00 N ATOM 1176 CA GLU A 79 -15.991 2.703 -3.827 1.00 1.00 C ATOM 1177 C GLU A 79 -16.424 3.513 -5.040 1.00 1.00 C ATOM 1178 O GLU A 79 -17.186 3.033 -5.881 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.426 3.427 -2.544 1.00 1.00 C ATOM 1180 CG GLU A 79 -16.070 2.572 -1.332 1.00 1.00 C ATOM 1181 CD GLU A 79 -16.509 3.271 -0.047 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -17.028 4.370 -0.141 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -16.316 2.698 1.015 1.00 1.00 O ATOM 0 H GLU A 79 -14.071 2.934 -3.017 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.463 1.722 -3.873 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -15.933 4.397 -2.476 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.499 3.616 -2.566 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -16.555 1.599 -1.409 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -14.995 2.392 -1.308 1.00 1.00 H new