USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 700 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 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.776 K(o=-0.78,f=-1.8!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0952 USER MOD Single : A 13 THR OG1 : rot 132:sc= 1.22 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.813 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot 84:sc= 0.712 USER MOD Single : A 38 TYR OH : rot -30:sc= -0.444 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 44 MET CE :methyl -177:sc= -1.79 (180deg=-1.85) USER MOD Single : A 47 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.56) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 79:sc= 1.1 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.596 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -94:sc= 0.979 USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.0321 X(o=-0.032,f=-0.23) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.76 X(o=-0.76,f=-1.3) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 21:sc= 1.4 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.754 28.079 -5.015 1.00 0.00 N ATOM 2 CA GLY A 1 -21.220 28.833 -6.137 1.00 0.00 C ATOM 3 C GLY A 1 -19.827 29.379 -5.816 1.00 0.00 C ATOM 4 O GLY A 1 -18.944 28.632 -5.398 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.699 27.719 -5.257 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.123 27.280 -4.802 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.822 28.698 -4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.170 28.194 -7.019 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.891 29.657 -6.378 1.00 0.00 H new ATOM 8 N SER A 2 -19.674 30.679 -6.024 1.00 0.00 N ATOM 9 CA SER A 2 -18.404 31.334 -5.763 1.00 0.00 C ATOM 10 C SER A 2 -18.124 31.352 -4.259 1.00 0.00 C ATOM 11 O SER A 2 -17.079 30.881 -3.812 1.00 0.00 O ATOM 12 CB SER A 2 -18.393 32.758 -6.322 1.00 0.00 C ATOM 13 OG SER A 2 -17.079 33.183 -6.674 1.00 0.00 O ATOM 0 H SER A 2 -20.409 31.296 -6.370 1.00 0.00 H new ATOM 0 HA SER A 2 -17.619 30.770 -6.266 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.038 32.808 -7.200 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.809 33.441 -5.582 1.00 0.00 H new ATOM 0 HG SER A 2 -17.114 34.096 -7.028 1.00 0.00 H new ATOM 19 N SER A 3 -19.076 31.901 -3.519 1.00 0.00 N ATOM 20 CA SER A 3 -18.945 31.986 -2.074 1.00 0.00 C ATOM 21 C SER A 3 -17.755 32.875 -1.708 1.00 0.00 C ATOM 22 O SER A 3 -16.870 33.104 -2.532 1.00 0.00 O ATOM 23 CB SER A 3 -18.782 30.598 -1.453 1.00 0.00 C ATOM 24 OG SER A 3 -20.037 29.954 -1.248 1.00 0.00 O ATOM 0 H SER A 3 -19.941 32.291 -3.893 1.00 0.00 H new ATOM 0 HA SER A 3 -19.857 32.428 -1.673 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.160 29.981 -2.102 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.260 30.686 -0.500 1.00 0.00 H new ATOM 0 HG SER A 3 -19.890 29.070 -0.852 1.00 0.00 H new ATOM 30 N GLY A 4 -17.771 33.352 -0.472 1.00 0.00 N ATOM 31 CA GLY A 4 -16.704 34.210 0.013 1.00 0.00 C ATOM 32 C GLY A 4 -15.716 33.422 0.876 1.00 0.00 C ATOM 33 O GLY A 4 -15.814 32.200 0.980 1.00 0.00 O ATOM 0 H GLY A 4 -18.507 33.160 0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.179 34.656 -0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.127 35.029 0.594 1.00 0.00 H new ATOM 37 N SER A 5 -14.785 34.154 1.471 1.00 0.00 N ATOM 38 CA SER A 5 -13.780 33.539 2.321 1.00 0.00 C ATOM 39 C SER A 5 -14.456 32.685 3.397 1.00 0.00 C ATOM 40 O SER A 5 -15.312 33.172 4.133 1.00 0.00 O ATOM 41 CB SER A 5 -12.884 34.596 2.969 1.00 0.00 C ATOM 42 OG SER A 5 -11.643 34.050 3.405 1.00 0.00 O ATOM 0 H SER A 5 -14.706 35.167 1.381 1.00 0.00 H new ATOM 0 HA SER A 5 -13.152 32.901 1.700 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.696 35.398 2.256 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.403 35.040 3.819 1.00 0.00 H new ATOM 0 HG SER A 5 -11.099 34.757 3.811 1.00 0.00 H new ATOM 48 N SER A 6 -14.044 31.427 3.453 1.00 0.00 N ATOM 49 CA SER A 6 -14.599 30.501 4.426 1.00 0.00 C ATOM 50 C SER A 6 -13.992 29.111 4.231 1.00 0.00 C ATOM 51 O SER A 6 -13.360 28.843 3.210 1.00 0.00 O ATOM 52 CB SER A 6 -16.124 30.435 4.316 1.00 0.00 C ATOM 53 OG SER A 6 -16.759 30.654 5.572 1.00 0.00 O ATOM 0 H SER A 6 -13.333 31.027 2.841 1.00 0.00 H new ATOM 0 HA SER A 6 -14.349 30.863 5.423 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.469 31.181 3.600 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.418 29.460 3.926 1.00 0.00 H new ATOM 0 HG SER A 6 -17.731 30.606 5.460 1.00 0.00 H new ATOM 59 N GLY A 7 -14.204 28.262 5.226 1.00 0.00 N ATOM 60 CA GLY A 7 -13.685 26.906 5.176 1.00 0.00 C ATOM 61 C GLY A 7 -14.625 25.987 4.394 1.00 0.00 C ATOM 62 O GLY A 7 -15.271 25.115 4.973 1.00 0.00 O ATOM 0 H GLY A 7 -14.728 28.487 6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.700 26.907 4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.557 26.524 6.189 1.00 0.00 H new ATOM 66 N GLN A 8 -14.673 26.215 3.090 1.00 0.00 N ATOM 67 CA GLN A 8 -15.524 25.418 2.222 1.00 0.00 C ATOM 68 C GLN A 8 -15.315 23.928 2.496 1.00 0.00 C ATOM 69 O GLN A 8 -16.190 23.112 2.210 1.00 0.00 O ATOM 70 CB GLN A 8 -15.266 25.746 0.750 1.00 0.00 C ATOM 71 CG GLN A 8 -16.027 27.004 0.327 1.00 0.00 C ATOM 72 CD GLN A 8 -16.604 26.848 -1.082 1.00 0.00 C ATOM 73 OE1 GLN A 8 -16.914 25.759 -1.537 1.00 0.00 O ATOM 74 NE2 GLN A 8 -16.731 27.994 -1.745 1.00 0.00 N ATOM 0 H GLN A 8 -14.137 26.940 2.613 1.00 0.00 H new ATOM 0 HA GLN A 8 -16.563 25.665 2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.198 25.891 0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -15.572 24.905 0.127 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.833 27.201 1.034 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.359 27.865 0.357 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.452 28.871 -1.305 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.107 27.996 -2.693 1.00 0.00 H new ATOM 83 N ASP A 9 -14.151 23.617 3.048 1.00 0.00 N ATOM 84 CA ASP A 9 -13.817 22.239 3.364 1.00 0.00 C ATOM 85 C ASP A 9 -14.313 21.328 2.240 1.00 0.00 C ATOM 86 O ASP A 9 -14.987 20.331 2.496 1.00 0.00 O ATOM 87 CB ASP A 9 -14.488 21.794 4.664 1.00 0.00 C ATOM 88 CG ASP A 9 -13.945 22.457 5.932 1.00 0.00 C ATOM 89 OD1 ASP A 9 -12.777 22.900 5.886 1.00 0.00 O ATOM 90 OD2 ASP A 9 -14.711 22.506 6.919 1.00 0.00 O ATOM 0 H ASP A 9 -13.428 24.296 3.284 1.00 0.00 H new ATOM 0 HA ASP A 9 -12.735 22.171 3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.556 22.000 4.593 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.378 20.714 4.761 1.00 0.00 H new ATOM 95 N SER A 10 -13.960 21.702 1.019 1.00 0.00 N ATOM 96 CA SER A 10 -14.361 20.931 -0.146 1.00 0.00 C ATOM 97 C SER A 10 -13.127 20.345 -0.836 1.00 0.00 C ATOM 98 O SER A 10 -12.000 20.585 -0.407 1.00 0.00 O ATOM 99 CB SER A 10 -15.161 21.790 -1.127 1.00 0.00 C ATOM 100 OG SER A 10 -16.303 21.103 -1.630 1.00 0.00 O ATOM 0 H SER A 10 -13.400 22.529 0.811 1.00 0.00 H new ATOM 0 HA SER A 10 -15.004 20.116 0.188 1.00 0.00 H new ATOM 0 HB2 SER A 10 -15.479 22.707 -0.630 1.00 0.00 H new ATOM 0 HB3 SER A 10 -14.520 22.084 -1.958 1.00 0.00 H new ATOM 0 HG SER A 10 -16.788 21.686 -2.251 1.00 0.00 H new ATOM 106 N ASP A 11 -13.383 19.588 -1.893 1.00 0.00 N ATOM 107 CA ASP A 11 -12.308 18.967 -2.646 1.00 0.00 C ATOM 108 C ASP A 11 -11.585 17.955 -1.755 1.00 0.00 C ATOM 109 O ASP A 11 -11.805 16.750 -1.873 1.00 0.00 O ATOM 110 CB ASP A 11 -11.284 20.007 -3.106 1.00 0.00 C ATOM 111 CG ASP A 11 -11.334 20.350 -4.596 1.00 0.00 C ATOM 112 OD1 ASP A 11 -11.944 19.552 -5.341 1.00 0.00 O ATOM 113 OD2 ASP A 11 -10.762 21.401 -4.956 1.00 0.00 O ATOM 0 H ASP A 11 -14.320 19.391 -2.245 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.745 18.481 -3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.435 20.922 -2.533 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.285 19.642 -2.866 1.00 0.00 H new ATOM 118 N SER A 12 -10.738 18.481 -0.883 1.00 0.00 N ATOM 119 CA SER A 12 -9.982 17.638 0.028 1.00 0.00 C ATOM 120 C SER A 12 -10.906 16.603 0.672 1.00 0.00 C ATOM 121 O SER A 12 -10.486 15.482 0.957 1.00 0.00 O ATOM 122 CB SER A 12 -9.289 18.474 1.105 1.00 0.00 C ATOM 123 OG SER A 12 -9.417 19.872 0.860 1.00 0.00 O ATOM 0 H SER A 12 -10.558 19.481 -0.788 1.00 0.00 H new ATOM 0 HA SER A 12 -9.211 17.121 -0.544 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.716 18.236 2.079 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.233 18.208 1.146 1.00 0.00 H new ATOM 0 HG SER A 12 -8.963 20.372 1.570 1.00 0.00 H new ATOM 129 N THR A 13 -12.148 17.015 0.883 1.00 0.00 N ATOM 130 CA THR A 13 -13.135 16.138 1.489 1.00 0.00 C ATOM 131 C THR A 13 -13.072 14.746 0.855 1.00 0.00 C ATOM 132 O THR A 13 -12.833 13.756 1.545 1.00 0.00 O ATOM 133 CB THR A 13 -14.505 16.804 1.355 1.00 0.00 C ATOM 134 OG1 THR A 13 -14.535 17.753 2.418 1.00 0.00 O ATOM 135 CG2 THR A 13 -15.656 15.849 1.677 1.00 0.00 C ATOM 0 H THR A 13 -12.493 17.945 0.645 1.00 0.00 H new ATOM 0 HA THR A 13 -12.933 15.988 2.550 1.00 0.00 H new ATOM 0 HB THR A 13 -14.624 17.187 0.341 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.833 18.621 2.074 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.605 16.373 1.566 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.628 15.001 0.993 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.556 15.492 2.702 1.00 0.00 H new ATOM 143 N ALA A 14 -13.291 14.716 -0.451 1.00 0.00 N ATOM 144 CA ALA A 14 -13.262 13.462 -1.186 1.00 0.00 C ATOM 145 C ALA A 14 -12.116 12.595 -0.661 1.00 0.00 C ATOM 146 O ALA A 14 -12.264 11.381 -0.524 1.00 0.00 O ATOM 147 CB ALA A 14 -13.136 13.751 -2.683 1.00 0.00 C ATOM 0 H ALA A 14 -13.489 15.539 -1.020 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.189 12.908 -1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.114 12.811 -3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.989 14.345 -3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.215 14.303 -2.871 1.00 0.00 H new ATOM 153 N ALA A 15 -11.000 13.251 -0.381 1.00 0.00 N ATOM 154 CA ALA A 15 -9.829 12.555 0.127 1.00 0.00 C ATOM 155 C ALA A 15 -10.136 11.999 1.518 1.00 0.00 C ATOM 156 O ALA A 15 -10.002 10.799 1.754 1.00 0.00 O ATOM 157 CB ALA A 15 -8.631 13.506 0.130 1.00 0.00 C ATOM 0 H ALA A 15 -10.881 14.257 -0.496 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.574 11.712 -0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.753 12.984 0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.437 13.849 -0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.848 14.363 0.767 1.00 0.00 H new ATOM 163 N VAL A 16 -10.541 12.897 2.404 1.00 0.00 N ATOM 164 CA VAL A 16 -10.867 12.511 3.766 1.00 0.00 C ATOM 165 C VAL A 16 -11.747 11.259 3.740 1.00 0.00 C ATOM 166 O VAL A 16 -11.565 10.351 4.550 1.00 0.00 O ATOM 167 CB VAL A 16 -11.519 13.684 4.501 1.00 0.00 C ATOM 168 CG1 VAL A 16 -11.712 13.363 5.984 1.00 0.00 C ATOM 169 CG2 VAL A 16 -10.704 14.966 4.318 1.00 0.00 C ATOM 0 H VAL A 16 -10.651 13.891 2.205 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.961 12.261 4.319 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.504 13.848 4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.177 14.213 6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.353 12.487 6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.744 13.159 6.441 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.189 15.784 4.850 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.700 14.819 4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.642 15.209 3.257 1.00 0.00 H new ATOM 179 N ALA A 17 -12.681 11.250 2.800 1.00 0.00 N ATOM 180 CA ALA A 17 -13.589 10.125 2.658 1.00 0.00 C ATOM 181 C ALA A 17 -12.827 8.930 2.081 1.00 0.00 C ATOM 182 O ALA A 17 -12.745 7.878 2.712 1.00 0.00 O ATOM 183 CB ALA A 17 -14.777 10.535 1.786 1.00 0.00 C ATOM 0 H ALA A 17 -12.828 12.004 2.129 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.985 9.826 3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.458 9.691 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.302 11.368 2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.419 10.839 0.802 1.00 0.00 H new ATOM 189 N VAL A 18 -12.289 9.133 0.887 1.00 0.00 N ATOM 190 CA VAL A 18 -11.536 8.086 0.217 1.00 0.00 C ATOM 191 C VAL A 18 -10.512 7.498 1.190 1.00 0.00 C ATOM 192 O VAL A 18 -10.161 6.323 1.093 1.00 0.00 O ATOM 193 CB VAL A 18 -10.900 8.635 -1.061 1.00 0.00 C ATOM 194 CG1 VAL A 18 -9.452 9.064 -0.813 1.00 0.00 C ATOM 195 CG2 VAL A 18 -10.982 7.612 -2.197 1.00 0.00 C ATOM 0 H VAL A 18 -12.360 10.007 0.366 1.00 0.00 H new ATOM 0 HA VAL A 18 -12.197 7.275 -0.088 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.463 9.518 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.024 9.450 -1.738 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.429 9.842 -0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.871 8.206 -0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.523 8.027 -3.094 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.455 6.703 -1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.027 7.377 -2.400 1.00 0.00 H new ATOM 205 N LEU A 19 -10.061 8.343 2.106 1.00 0.00 N ATOM 206 CA LEU A 19 -9.084 7.922 3.096 1.00 0.00 C ATOM 207 C LEU A 19 -9.781 7.087 4.171 1.00 0.00 C ATOM 208 O LEU A 19 -9.264 6.053 4.592 1.00 0.00 O ATOM 209 CB LEU A 19 -8.327 9.131 3.650 1.00 0.00 C ATOM 210 CG LEU A 19 -7.352 9.811 2.687 1.00 0.00 C ATOM 211 CD1 LEU A 19 -6.726 11.052 3.326 1.00 0.00 C ATOM 212 CD2 LEU A 19 -6.292 8.824 2.192 1.00 0.00 C ATOM 0 H LEU A 19 -10.354 9.317 2.183 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.328 7.285 2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.056 9.871 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.772 8.814 4.533 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.912 10.146 1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.037 11.516 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.511 11.762 3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.183 10.763 4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.612 9.333 1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.730 8.437 3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.778 7.999 1.672 1.00 0.00 H new ATOM 224 N LYS A 20 -10.945 7.566 4.585 1.00 0.00 N ATOM 225 CA LYS A 20 -11.719 6.876 5.604 1.00 0.00 C ATOM 226 C LYS A 20 -12.027 5.455 5.129 1.00 0.00 C ATOM 227 O LYS A 20 -11.813 4.491 5.863 1.00 0.00 O ATOM 228 CB LYS A 20 -12.964 7.686 5.970 1.00 0.00 C ATOM 229 CG LYS A 20 -13.157 7.738 7.487 1.00 0.00 C ATOM 230 CD LYS A 20 -12.772 9.111 8.042 1.00 0.00 C ATOM 231 CE LYS A 20 -12.830 9.120 9.571 1.00 0.00 C ATOM 232 NZ LYS A 20 -13.261 10.447 10.066 1.00 0.00 N ATOM 0 H LYS A 20 -11.371 8.423 4.234 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.143 6.786 6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.872 8.698 5.576 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.842 7.241 5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.197 7.521 7.733 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.550 6.967 7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.767 9.372 7.711 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.446 9.870 7.644 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.522 8.353 9.919 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.850 8.874 9.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.295 10.436 11.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.586 11.172 9.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.206 10.667 9.691 1.00 0.00 H new ATOM 246 N ARG A 21 -12.524 5.370 3.904 1.00 0.00 N ATOM 247 CA ARG A 21 -12.864 4.082 3.322 1.00 0.00 C ATOM 248 C ARG A 21 -11.623 3.190 3.245 1.00 0.00 C ATOM 249 O ARG A 21 -11.639 2.056 3.720 1.00 0.00 O ATOM 250 CB ARG A 21 -13.452 4.249 1.920 1.00 0.00 C ATOM 251 CG ARG A 21 -14.972 4.078 1.938 1.00 0.00 C ATOM 252 CD ARG A 21 -15.356 2.612 2.151 1.00 0.00 C ATOM 253 NE ARG A 21 -16.457 2.515 3.135 1.00 0.00 N ATOM 254 CZ ARG A 21 -17.145 1.393 3.385 1.00 0.00 C ATOM 255 NH1 ARG A 21 -16.849 0.265 2.725 1.00 0.00 N ATOM 256 NH2 ARG A 21 -18.128 1.398 4.295 1.00 0.00 N ATOM 0 H ARG A 21 -12.700 6.172 3.298 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.612 3.615 3.963 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.198 5.235 1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.008 3.516 1.246 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.401 4.689 2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.393 4.435 0.998 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.663 2.167 1.205 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.492 2.049 2.503 1.00 0.00 H new ATOM 0 HE ARG A 21 -16.708 3.355 3.656 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.100 0.261 2.033 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.373 -0.589 2.915 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -18.353 2.256 4.798 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.652 0.543 4.485 1.00 0.00 H new ATOM 270 N ALA A 22 -10.577 3.737 2.643 1.00 0.00 N ATOM 271 CA ALA A 22 -9.331 3.005 2.497 1.00 0.00 C ATOM 272 C ALA A 22 -9.002 2.299 3.814 1.00 0.00 C ATOM 273 O ALA A 22 -8.805 1.085 3.839 1.00 0.00 O ATOM 274 CB ALA A 22 -8.223 3.966 2.059 1.00 0.00 C ATOM 0 H ALA A 22 -10.567 4.679 2.251 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.423 2.240 1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.288 3.417 1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.491 4.420 1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.100 4.746 2.810 1.00 0.00 H new ATOM 280 N VAL A 23 -8.953 3.089 4.876 1.00 0.00 N ATOM 281 CA VAL A 23 -8.651 2.555 6.193 1.00 0.00 C ATOM 282 C VAL A 23 -9.480 1.290 6.427 1.00 0.00 C ATOM 283 O VAL A 23 -8.939 0.249 6.799 1.00 0.00 O ATOM 284 CB VAL A 23 -8.884 3.627 7.259 1.00 0.00 C ATOM 285 CG1 VAL A 23 -9.209 2.993 8.613 1.00 0.00 C ATOM 286 CG2 VAL A 23 -7.679 4.564 7.367 1.00 0.00 C ATOM 0 H VAL A 23 -9.117 4.095 4.851 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.600 2.273 6.259 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.745 4.222 6.953 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.370 3.777 9.353 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.111 2.387 8.524 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.378 2.362 8.928 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.871 5.317 8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.794 3.989 7.638 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.513 5.055 6.408 1.00 0.00 H new ATOM 296 N GLU A 24 -10.778 1.421 6.200 1.00 0.00 N ATOM 297 CA GLU A 24 -11.687 0.301 6.382 1.00 0.00 C ATOM 298 C GLU A 24 -11.202 -0.910 5.582 1.00 0.00 C ATOM 299 O GLU A 24 -10.886 -1.951 6.156 1.00 0.00 O ATOM 300 CB GLU A 24 -13.114 0.684 5.986 1.00 0.00 C ATOM 301 CG GLU A 24 -13.650 1.803 6.882 1.00 0.00 C ATOM 302 CD GLU A 24 -13.827 1.316 8.321 1.00 0.00 C ATOM 303 OE1 GLU A 24 -12.807 1.296 9.043 1.00 0.00 O ATOM 304 OE2 GLU A 24 -14.979 0.976 8.668 1.00 0.00 O ATOM 0 H GLU A 24 -11.223 2.286 5.892 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.698 0.034 7.439 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.132 1.007 4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.763 -0.189 6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.964 2.649 6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.605 2.158 6.494 1.00 0.00 H new ATOM 311 N LEU A 25 -11.159 -0.734 4.269 1.00 0.00 N ATOM 312 CA LEU A 25 -10.718 -1.799 3.385 1.00 0.00 C ATOM 313 C LEU A 25 -9.431 -2.415 3.938 1.00 0.00 C ATOM 314 O LEU A 25 -9.290 -3.637 3.974 1.00 0.00 O ATOM 315 CB LEU A 25 -10.587 -1.285 1.950 1.00 0.00 C ATOM 316 CG LEU A 25 -11.896 -0.931 1.242 1.00 0.00 C ATOM 317 CD1 LEU A 25 -11.638 -0.043 0.024 1.00 0.00 C ATOM 318 CD2 LEU A 25 -12.680 -2.193 0.876 1.00 0.00 C ATOM 0 H LEU A 25 -11.423 0.131 3.796 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.462 -2.595 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.951 -0.400 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.071 -2.042 1.360 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.514 -0.357 1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.585 0.194 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.153 0.880 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.992 -0.569 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.606 -1.913 0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.080 -2.814 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.913 -2.752 1.782 1.00 0.00 H new ATOM 330 N ASP A 26 -8.526 -1.542 4.354 1.00 0.00 N ATOM 331 CA ASP A 26 -7.256 -1.985 4.903 1.00 0.00 C ATOM 332 C ASP A 26 -7.515 -2.905 6.098 1.00 0.00 C ATOM 333 O ASP A 26 -6.775 -3.862 6.321 1.00 0.00 O ATOM 334 CB ASP A 26 -6.424 -0.798 5.392 1.00 0.00 C ATOM 335 CG ASP A 26 -4.955 -0.818 4.963 1.00 0.00 C ATOM 336 OD1 ASP A 26 -4.715 -1.125 3.776 1.00 0.00 O ATOM 337 OD2 ASP A 26 -4.106 -0.524 5.832 1.00 0.00 O ATOM 0 H ASP A 26 -8.647 -0.530 4.322 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.712 -2.507 4.116 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.881 0.122 5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.469 -0.766 6.481 1.00 0.00 H new ATOM 342 N ALA A 27 -8.568 -2.583 6.835 1.00 0.00 N ATOM 343 CA ALA A 27 -8.933 -3.369 8.001 1.00 0.00 C ATOM 344 C ALA A 27 -9.721 -4.601 7.554 1.00 0.00 C ATOM 345 O ALA A 27 -9.767 -5.605 8.264 1.00 0.00 O ATOM 346 CB ALA A 27 -9.722 -2.495 8.979 1.00 0.00 C ATOM 0 H ALA A 27 -9.180 -1.789 6.647 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.042 -3.719 8.522 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.996 -3.084 9.854 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.107 -1.650 9.289 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.625 -2.128 8.492 1.00 0.00 H new ATOM 352 N GLU A 28 -10.322 -4.486 6.379 1.00 0.00 N ATOM 353 CA GLU A 28 -11.106 -5.578 5.828 1.00 0.00 C ATOM 354 C GLU A 28 -10.201 -6.553 5.073 1.00 0.00 C ATOM 355 O GLU A 28 -10.673 -7.550 4.529 1.00 0.00 O ATOM 356 CB GLU A 28 -12.221 -5.051 4.923 1.00 0.00 C ATOM 357 CG GLU A 28 -13.220 -4.208 5.717 1.00 0.00 C ATOM 358 CD GLU A 28 -14.510 -4.988 5.979 1.00 0.00 C ATOM 359 OE1 GLU A 28 -15.109 -5.445 4.982 1.00 0.00 O ATOM 360 OE2 GLU A 28 -14.868 -5.109 7.171 1.00 0.00 O ATOM 0 H GLU A 28 -10.282 -3.652 5.793 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.576 -6.114 6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.790 -4.451 4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.738 -5.887 4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.774 -3.907 6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.448 -3.295 5.167 1.00 0.00 H new ATOM 367 N SER A 29 -8.916 -6.231 5.063 1.00 0.00 N ATOM 368 CA SER A 29 -7.940 -7.065 4.383 1.00 0.00 C ATOM 369 C SER A 29 -7.985 -6.802 2.877 1.00 0.00 C ATOM 370 O SER A 29 -7.236 -7.410 2.114 1.00 0.00 O ATOM 371 CB SER A 29 -8.187 -8.548 4.671 1.00 0.00 C ATOM 372 OG SER A 29 -8.790 -8.751 5.946 1.00 0.00 O ATOM 0 H SER A 29 -8.528 -5.403 5.515 1.00 0.00 H new ATOM 0 HA SER A 29 -6.950 -6.809 4.760 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.829 -8.966 3.896 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.241 -9.088 4.627 1.00 0.00 H new ATOM 0 HG SER A 29 -8.933 -9.710 6.091 1.00 0.00 H new ATOM 378 N ARG A 30 -8.872 -5.896 2.493 1.00 0.00 N ATOM 379 CA ARG A 30 -9.025 -5.545 1.091 1.00 0.00 C ATOM 380 C ARG A 30 -8.015 -4.464 0.701 1.00 0.00 C ATOM 381 O ARG A 30 -8.398 -3.361 0.317 1.00 0.00 O ATOM 382 CB ARG A 30 -10.440 -5.039 0.801 1.00 0.00 C ATOM 383 CG ARG A 30 -11.491 -5.987 1.381 1.00 0.00 C ATOM 384 CD ARG A 30 -12.906 -5.487 1.082 1.00 0.00 C ATOM 385 NE ARG A 30 -13.650 -6.505 0.308 1.00 0.00 N ATOM 386 CZ ARG A 30 -14.295 -7.543 0.857 1.00 0.00 C ATOM 387 NH1 ARG A 30 -14.291 -7.706 2.187 1.00 0.00 N ATOM 388 NH2 ARG A 30 -14.945 -8.417 0.076 1.00 0.00 N ATOM 0 H ARG A 30 -9.492 -5.394 3.128 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.845 -6.445 0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.568 -4.044 1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.583 -4.946 -0.276 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.358 -6.984 0.961 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.352 -6.074 2.459 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.429 -5.273 2.014 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.860 -4.554 0.521 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.673 -6.411 -0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.797 -7.040 2.781 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.782 -8.496 2.605 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.949 -8.292 -0.936 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.436 -9.207 0.494 1.00 0.00 H new ATOM 402 N TYR A 31 -6.743 -4.820 0.814 1.00 0.00 N ATOM 403 CA TYR A 31 -5.675 -3.895 0.478 1.00 0.00 C ATOM 404 C TYR A 31 -5.775 -3.448 -0.982 1.00 0.00 C ATOM 405 O TYR A 31 -5.544 -2.281 -1.295 1.00 0.00 O ATOM 406 CB TYR A 31 -4.369 -4.669 0.673 1.00 0.00 C ATOM 407 CG TYR A 31 -4.107 -5.092 2.120 1.00 0.00 C ATOM 408 CD1 TYR A 31 -4.181 -4.161 3.135 1.00 0.00 C ATOM 409 CD2 TYR A 31 -3.797 -6.406 2.409 1.00 0.00 C ATOM 410 CE1 TYR A 31 -3.935 -4.560 4.497 1.00 0.00 C ATOM 411 CE2 TYR A 31 -3.551 -6.804 3.771 1.00 0.00 C ATOM 412 CZ TYR A 31 -3.632 -5.862 4.747 1.00 0.00 C ATOM 413 OH TYR A 31 -3.399 -6.238 6.033 1.00 0.00 O ATOM 0 H TYR A 31 -6.429 -5.736 1.134 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.730 -3.003 1.102 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.388 -5.558 0.043 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.538 -4.053 0.329 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.423 -3.133 2.909 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.739 -7.135 1.614 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.990 -3.841 5.301 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.308 -7.828 4.011 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.196 -7.196 6.062 1.00 0.00 H new ATOM 423 N GLN A 32 -6.120 -4.400 -1.837 1.00 0.00 N ATOM 424 CA GLN A 32 -6.253 -4.119 -3.256 1.00 0.00 C ATOM 425 C GLN A 32 -7.261 -2.990 -3.481 1.00 0.00 C ATOM 426 O GLN A 32 -7.282 -2.374 -4.545 1.00 0.00 O ATOM 427 CB GLN A 32 -6.658 -5.377 -4.028 1.00 0.00 C ATOM 428 CG GLN A 32 -5.605 -5.737 -5.079 1.00 0.00 C ATOM 429 CD GLN A 32 -6.067 -5.327 -6.479 1.00 0.00 C ATOM 430 OE1 GLN A 32 -6.652 -6.100 -7.219 1.00 0.00 O ATOM 431 NE2 GLN A 32 -5.771 -4.070 -6.800 1.00 0.00 N ATOM 0 H GLN A 32 -6.311 -5.367 -1.574 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.284 -3.796 -3.635 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.785 -6.209 -3.335 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.621 -5.217 -4.513 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.664 -5.240 -4.842 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.413 -6.810 -5.055 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.279 -3.476 -6.133 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.036 -3.701 -7.713 1.00 0.00 H new ATOM 440 N GLN A 33 -8.073 -2.753 -2.461 1.00 0.00 N ATOM 441 CA GLN A 33 -9.081 -1.709 -2.534 1.00 0.00 C ATOM 442 C GLN A 33 -8.659 -0.503 -1.692 1.00 0.00 C ATOM 443 O GLN A 33 -8.926 0.640 -2.059 1.00 0.00 O ATOM 444 CB GLN A 33 -10.448 -2.235 -2.092 1.00 0.00 C ATOM 445 CG GLN A 33 -10.955 -3.316 -3.048 1.00 0.00 C ATOM 446 CD GLN A 33 -12.476 -3.241 -3.204 1.00 0.00 C ATOM 447 OE1 GLN A 33 -13.230 -3.883 -2.492 1.00 0.00 O ATOM 448 NE2 GLN A 33 -12.881 -2.424 -4.171 1.00 0.00 N ATOM 0 H GLN A 33 -8.053 -3.266 -1.580 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.170 -1.389 -3.572 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.376 -2.641 -1.083 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.163 -1.413 -2.055 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.480 -3.197 -4.022 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.672 -4.300 -2.673 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.195 -1.916 -4.730 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.877 -2.305 -4.354 1.00 0.00 H new ATOM 457 N ALA A 34 -8.006 -0.800 -0.577 1.00 0.00 N ATOM 458 CA ALA A 34 -7.544 0.245 0.320 1.00 0.00 C ATOM 459 C ALA A 34 -6.383 0.997 -0.334 1.00 0.00 C ATOM 460 O ALA A 34 -6.082 2.129 0.042 1.00 0.00 O ATOM 461 CB ALA A 34 -7.155 -0.372 1.665 1.00 0.00 C ATOM 0 H ALA A 34 -7.786 -1.749 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.339 0.967 0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.808 0.412 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.022 -0.868 2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.358 -1.100 1.514 1.00 0.00 H new ATOM 467 N LEU A 35 -5.764 0.338 -1.302 1.00 0.00 N ATOM 468 CA LEU A 35 -4.643 0.930 -2.012 1.00 0.00 C ATOM 469 C LEU A 35 -5.141 2.107 -2.852 1.00 0.00 C ATOM 470 O LEU A 35 -4.783 3.255 -2.593 1.00 0.00 O ATOM 471 CB LEU A 35 -3.901 -0.134 -2.824 1.00 0.00 C ATOM 472 CG LEU A 35 -2.515 0.261 -3.339 1.00 0.00 C ATOM 473 CD1 LEU A 35 -2.618 1.003 -4.673 1.00 0.00 C ATOM 474 CD2 LEU A 35 -1.750 1.070 -2.290 1.00 0.00 C ATOM 0 H LEU A 35 -6.017 -0.600 -1.611 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.913 1.327 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.797 -1.026 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.520 -0.408 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.945 -0.650 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.620 1.273 -5.017 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.095 0.359 -5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.213 1.907 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.769 1.338 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.306 1.977 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.629 0.472 -1.386 1.00 0.00 H new ATOM 486 N VAL A 36 -5.960 1.783 -3.842 1.00 0.00 N ATOM 487 CA VAL A 36 -6.512 2.799 -4.721 1.00 0.00 C ATOM 488 C VAL A 36 -7.084 3.940 -3.878 1.00 0.00 C ATOM 489 O VAL A 36 -6.786 5.108 -4.123 1.00 0.00 O ATOM 490 CB VAL A 36 -7.544 2.174 -5.661 1.00 0.00 C ATOM 491 CG1 VAL A 36 -7.077 0.803 -6.155 1.00 0.00 C ATOM 492 CG2 VAL A 36 -8.913 2.076 -4.985 1.00 0.00 C ATOM 0 H VAL A 36 -6.255 0.830 -4.055 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.731 3.222 -5.353 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.645 2.826 -6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.829 0.381 -6.821 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.135 0.912 -6.693 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.934 0.139 -5.303 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.628 1.628 -5.675 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.834 1.457 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.253 3.073 -4.706 1.00 0.00 H new ATOM 502 N CYS A 37 -7.897 3.562 -2.902 1.00 0.00 N ATOM 503 CA CYS A 37 -8.514 4.540 -2.022 1.00 0.00 C ATOM 504 C CYS A 37 -7.416 5.451 -1.470 1.00 0.00 C ATOM 505 O CYS A 37 -7.423 6.656 -1.713 1.00 0.00 O ATOM 506 CB CYS A 37 -9.314 3.868 -0.904 1.00 0.00 C ATOM 507 SG CYS A 37 -10.626 2.812 -1.620 1.00 0.00 S ATOM 0 H CYS A 37 -8.143 2.593 -2.701 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.231 5.138 -2.584 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.651 3.267 -0.282 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.758 4.625 -0.258 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.128 1.652 -1.930 1.00 0.00 H new ATOM 513 N TYR A 38 -6.497 4.839 -0.736 1.00 0.00 N ATOM 514 CA TYR A 38 -5.394 5.580 -0.148 1.00 0.00 C ATOM 515 C TYR A 38 -4.730 6.489 -1.184 1.00 0.00 C ATOM 516 O TYR A 38 -4.342 7.613 -0.870 1.00 0.00 O ATOM 517 CB TYR A 38 -4.382 4.531 0.316 1.00 0.00 C ATOM 518 CG TYR A 38 -4.653 3.981 1.718 1.00 0.00 C ATOM 519 CD1 TYR A 38 -5.050 4.834 2.729 1.00 0.00 C ATOM 520 CD2 TYR A 38 -4.502 2.633 1.973 1.00 0.00 C ATOM 521 CE1 TYR A 38 -5.305 4.317 4.048 1.00 0.00 C ATOM 522 CE2 TYR A 38 -4.757 2.117 3.292 1.00 0.00 C ATOM 523 CZ TYR A 38 -5.146 2.984 4.265 1.00 0.00 C ATOM 524 OH TYR A 38 -5.388 2.496 5.511 1.00 0.00 O ATOM 0 H TYR A 38 -6.494 3.839 -0.535 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.747 6.211 0.668 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.381 3.704 -0.394 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.384 4.970 0.296 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.169 5.889 2.530 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.192 1.965 1.183 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.616 4.973 4.848 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.642 1.064 3.505 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.187 3.186 6.177 1.00 0.00 H new ATOM 534 N GLN A 39 -4.620 5.969 -2.397 1.00 0.00 N ATOM 535 CA GLN A 39 -4.009 6.720 -3.481 1.00 0.00 C ATOM 536 C GLN A 39 -4.934 7.854 -3.927 1.00 0.00 C ATOM 537 O GLN A 39 -4.477 8.966 -4.189 1.00 0.00 O ATOM 538 CB GLN A 39 -3.660 5.803 -4.655 1.00 0.00 C ATOM 539 CG GLN A 39 -2.797 4.627 -4.194 1.00 0.00 C ATOM 540 CD GLN A 39 -1.345 4.804 -4.642 1.00 0.00 C ATOM 541 OE1 GLN A 39 -0.939 4.367 -5.707 1.00 0.00 O ATOM 542 NE2 GLN A 39 -0.587 5.468 -3.773 1.00 0.00 N ATOM 0 H GLN A 39 -4.944 5.036 -2.654 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.080 7.157 -3.116 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.575 5.429 -5.114 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.129 6.371 -5.419 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.839 4.544 -3.108 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.196 3.697 -4.600 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.990 5.807 -2.899 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.397 5.638 -3.981 1.00 0.00 H new ATOM 551 N GLU A 40 -6.218 7.534 -4.000 1.00 0.00 N ATOM 552 CA GLU A 40 -7.210 8.513 -4.410 1.00 0.00 C ATOM 553 C GLU A 40 -7.149 9.744 -3.504 1.00 0.00 C ATOM 554 O GLU A 40 -7.277 10.873 -3.974 1.00 0.00 O ATOM 555 CB GLU A 40 -8.613 7.903 -4.412 1.00 0.00 C ATOM 556 CG GLU A 40 -8.665 6.649 -5.287 1.00 0.00 C ATOM 557 CD GLU A 40 -9.636 6.835 -6.456 1.00 0.00 C ATOM 558 OE1 GLU A 40 -10.851 6.672 -6.215 1.00 0.00 O ATOM 559 OE2 GLU A 40 -9.140 7.136 -7.563 1.00 0.00 O ATOM 0 H GLU A 40 -6.594 6.611 -3.782 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.983 8.826 -5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.905 7.652 -3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.332 8.636 -4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.669 6.426 -5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.974 5.794 -4.685 1.00 0.00 H new ATOM 566 N GLY A 41 -6.952 9.484 -2.219 1.00 0.00 N ATOM 567 CA GLY A 41 -6.872 10.556 -1.242 1.00 0.00 C ATOM 568 C GLY A 41 -5.544 11.306 -1.359 1.00 0.00 C ATOM 569 O GLY A 41 -5.523 12.534 -1.424 1.00 0.00 O ATOM 0 H GLY A 41 -6.845 8.546 -1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.700 11.250 -1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.975 10.146 -0.237 1.00 0.00 H new ATOM 573 N ILE A 42 -4.466 10.535 -1.383 1.00 0.00 N ATOM 574 CA ILE A 42 -3.136 11.111 -1.491 1.00 0.00 C ATOM 575 C ILE A 42 -3.099 12.079 -2.675 1.00 0.00 C ATOM 576 O ILE A 42 -2.759 13.250 -2.514 1.00 0.00 O ATOM 577 CB ILE A 42 -2.079 10.008 -1.564 1.00 0.00 C ATOM 578 CG1 ILE A 42 -1.903 9.326 -0.205 1.00 0.00 C ATOM 579 CG2 ILE A 42 -0.756 10.551 -2.108 1.00 0.00 C ATOM 580 CD1 ILE A 42 -1.795 7.808 -0.364 1.00 0.00 C ATOM 0 H ILE A 42 -4.487 9.517 -1.330 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.897 11.690 -0.599 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.427 9.248 -2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.008 9.709 0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.748 9.569 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.022 9.746 -2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.912 10.952 -3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.391 11.342 -1.453 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.671 7.347 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.702 7.426 -0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.935 7.568 -0.989 1.00 0.00 H new ATOM 592 N ASP A 43 -3.453 11.553 -3.839 1.00 0.00 N ATOM 593 CA ASP A 43 -3.464 12.355 -5.050 1.00 0.00 C ATOM 594 C ASP A 43 -4.264 13.636 -4.802 1.00 0.00 C ATOM 595 O ASP A 43 -3.869 14.714 -5.242 1.00 0.00 O ATOM 596 CB ASP A 43 -4.126 11.601 -6.205 1.00 0.00 C ATOM 597 CG ASP A 43 -3.578 11.935 -7.594 1.00 0.00 C ATOM 598 OD1 ASP A 43 -2.386 11.636 -7.820 1.00 0.00 O ATOM 599 OD2 ASP A 43 -4.364 12.481 -8.398 1.00 0.00 O ATOM 0 H ASP A 43 -3.734 10.581 -3.969 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.431 12.582 -5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.011 10.531 -6.033 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.195 11.813 -6.192 1.00 0.00 H new ATOM 604 N MET A 44 -5.374 13.474 -4.096 1.00 0.00 N ATOM 605 CA MET A 44 -6.233 14.604 -3.784 1.00 0.00 C ATOM 606 C MET A 44 -5.535 15.576 -2.830 1.00 0.00 C ATOM 607 O MET A 44 -5.522 16.783 -3.069 1.00 0.00 O ATOM 608 CB MET A 44 -7.526 14.099 -3.141 1.00 0.00 C ATOM 609 CG MET A 44 -8.553 13.711 -4.207 1.00 0.00 C ATOM 610 SD MET A 44 -10.144 13.429 -3.449 1.00 0.00 S ATOM 611 CE MET A 44 -10.101 11.652 -3.289 1.00 0.00 C ATOM 0 H MET A 44 -5.698 12.578 -3.732 1.00 0.00 H new ATOM 0 HA MET A 44 -6.459 15.132 -4.710 1.00 0.00 H new ATOM 0 HB2 MET A 44 -7.310 13.238 -2.509 1.00 0.00 H new ATOM 0 HB3 MET A 44 -7.941 14.872 -2.495 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.632 14.502 -4.953 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.225 12.812 -4.729 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.048 11.301 -2.879 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.941 11.202 -4.269 1.00 0.00 H new ATOM 0 HE3 MET A 44 -9.288 11.366 -2.621 1.00 0.00 H new ATOM 621 N LEU A 45 -4.971 15.014 -1.771 1.00 0.00 N ATOM 622 CA LEU A 45 -4.273 15.816 -0.781 1.00 0.00 C ATOM 623 C LEU A 45 -3.120 16.563 -1.456 1.00 0.00 C ATOM 624 O LEU A 45 -2.979 17.774 -1.292 1.00 0.00 O ATOM 625 CB LEU A 45 -3.835 14.948 0.400 1.00 0.00 C ATOM 626 CG LEU A 45 -4.960 14.346 1.244 1.00 0.00 C ATOM 627 CD1 LEU A 45 -4.602 12.933 1.707 1.00 0.00 C ATOM 628 CD2 LEU A 45 -5.316 15.262 2.417 1.00 0.00 C ATOM 0 H LEU A 45 -4.983 14.013 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.940 16.570 -0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.219 14.134 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.201 15.549 1.052 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.849 14.264 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.419 12.528 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.438 12.296 0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.694 12.966 2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.118 14.811 3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.440 15.399 3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.644 16.229 2.037 1.00 0.00 H new ATOM 640 N LEU A 46 -2.326 15.809 -2.202 1.00 0.00 N ATOM 641 CA LEU A 46 -1.190 16.384 -2.903 1.00 0.00 C ATOM 642 C LEU A 46 -1.584 17.749 -3.470 1.00 0.00 C ATOM 643 O LEU A 46 -0.936 18.754 -3.186 1.00 0.00 O ATOM 644 CB LEU A 46 -0.661 15.409 -3.957 1.00 0.00 C ATOM 645 CG LEU A 46 0.557 14.577 -3.550 1.00 0.00 C ATOM 646 CD1 LEU A 46 1.120 13.808 -4.746 1.00 0.00 C ATOM 647 CD2 LEU A 46 1.618 15.451 -2.878 1.00 0.00 C ATOM 0 H LEU A 46 -2.447 14.805 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.362 16.552 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.467 14.728 -4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.406 15.976 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 46 0.237 13.838 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.985 13.225 -4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.356 13.138 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.421 14.512 -5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.473 14.835 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.941 16.228 -3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.197 15.913 -1.985 1.00 0.00 H new ATOM 659 N GLN A 47 -2.646 17.740 -4.263 1.00 0.00 N ATOM 660 CA GLN A 47 -3.134 18.965 -4.874 1.00 0.00 C ATOM 661 C GLN A 47 -3.511 19.982 -3.795 1.00 0.00 C ATOM 662 O GLN A 47 -3.261 21.176 -3.948 1.00 0.00 O ATOM 663 CB GLN A 47 -4.320 18.682 -5.798 1.00 0.00 C ATOM 664 CG GLN A 47 -3.960 17.624 -6.844 1.00 0.00 C ATOM 665 CD GLN A 47 -4.378 18.073 -8.245 1.00 0.00 C ATOM 666 OE1 GLN A 47 -4.257 19.229 -8.617 1.00 0.00 O ATOM 667 NE2 GLN A 47 -4.877 17.098 -8.999 1.00 0.00 N ATOM 0 H GLN A 47 -3.182 16.904 -4.496 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.335 19.388 -5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.171 18.341 -5.209 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.625 19.602 -6.296 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.886 17.438 -6.823 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.452 16.683 -6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.951 16.152 -8.626 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.186 17.297 -9.951 1.00 0.00 H new ATOM 676 N VAL A 48 -4.107 19.471 -2.727 1.00 0.00 N ATOM 677 CA VAL A 48 -4.521 20.320 -1.623 1.00 0.00 C ATOM 678 C VAL A 48 -3.291 21.006 -1.024 1.00 0.00 C ATOM 679 O VAL A 48 -3.327 22.197 -0.721 1.00 0.00 O ATOM 680 CB VAL A 48 -5.307 19.499 -0.598 1.00 0.00 C ATOM 681 CG1 VAL A 48 -5.732 20.366 0.588 1.00 0.00 C ATOM 682 CG2 VAL A 48 -6.517 18.825 -1.247 1.00 0.00 C ATOM 0 H VAL A 48 -4.313 18.480 -2.603 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.192 21.104 -1.974 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.650 18.715 -0.221 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.289 19.759 1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.847 20.777 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.364 21.181 0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.058 18.248 -0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.176 19.586 -1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.180 18.160 -2.042 1.00 0.00 H new ATOM 692 N LEU A 49 -2.233 20.223 -0.871 1.00 0.00 N ATOM 693 CA LEU A 49 -0.995 20.741 -0.314 1.00 0.00 C ATOM 694 C LEU A 49 -0.459 21.852 -1.217 1.00 0.00 C ATOM 695 O LEU A 49 -0.024 22.896 -0.733 1.00 0.00 O ATOM 696 CB LEU A 49 0.003 19.604 -0.079 1.00 0.00 C ATOM 697 CG LEU A 49 0.872 19.723 1.174 1.00 0.00 C ATOM 698 CD1 LEU A 49 2.221 19.030 0.974 1.00 0.00 C ATOM 699 CD2 LEU A 49 1.036 21.186 1.591 1.00 0.00 C ATOM 0 H LEU A 49 -2.208 19.235 -1.123 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.175 21.185 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.551 18.667 -0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.659 19.538 -0.947 1.00 0.00 H new ATOM 0 HG LEU A 49 0.364 19.210 1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.819 19.130 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.059 17.973 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.747 19.492 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.658 21.242 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.510 21.744 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.057 21.616 1.803 1.00 0.00 H new ATOM 711 N LYS A 50 -0.508 21.591 -2.515 1.00 0.00 N ATOM 712 CA LYS A 50 -0.033 22.557 -3.492 1.00 0.00 C ATOM 713 C LYS A 50 -0.608 23.936 -3.161 1.00 0.00 C ATOM 714 O LYS A 50 0.080 24.947 -3.289 1.00 0.00 O ATOM 715 CB LYS A 50 -0.348 22.084 -4.912 1.00 0.00 C ATOM 716 CG LYS A 50 0.532 20.895 -5.302 1.00 0.00 C ATOM 717 CD LYS A 50 1.689 21.340 -6.198 1.00 0.00 C ATOM 718 CE LYS A 50 1.715 20.537 -7.500 1.00 0.00 C ATOM 719 NZ LYS A 50 1.348 21.398 -8.647 1.00 0.00 N ATOM 0 H LYS A 50 -0.869 20.724 -2.913 1.00 0.00 H new ATOM 0 HA LYS A 50 1.052 22.644 -3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.398 21.801 -4.980 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.192 22.902 -5.615 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.925 20.419 -4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.069 20.148 -5.822 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.591 22.402 -6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.633 21.212 -5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.709 20.118 -7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.022 19.698 -7.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.370 20.838 -9.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.391 21.778 -8.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.025 22.184 -8.722 1.00 0.00 H new ATOM 733 N GLY A 51 -1.865 23.932 -2.740 1.00 0.00 N ATOM 734 CA GLY A 51 -2.541 25.169 -2.390 1.00 0.00 C ATOM 735 C GLY A 51 -2.791 25.249 -0.883 1.00 0.00 C ATOM 736 O GLY A 51 -3.928 25.431 -0.448 1.00 0.00 O ATOM 0 H GLY A 51 -2.432 23.091 -2.634 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.938 26.020 -2.708 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.489 25.233 -2.924 1.00 0.00 H new ATOM 740 N THR A 52 -1.712 25.110 -0.128 1.00 0.00 N ATOM 741 CA THR A 52 -1.801 25.164 1.322 1.00 0.00 C ATOM 742 C THR A 52 -0.750 26.124 1.885 1.00 0.00 C ATOM 743 O THR A 52 0.232 25.692 2.485 1.00 0.00 O ATOM 744 CB THR A 52 -1.669 23.737 1.857 1.00 0.00 C ATOM 745 OG1 THR A 52 -2.918 23.130 1.539 1.00 0.00 O ATOM 746 CG2 THR A 52 -1.609 23.688 3.385 1.00 0.00 C ATOM 0 H THR A 52 -0.771 24.960 -0.492 1.00 0.00 H new ATOM 0 HA THR A 52 -2.764 25.560 1.645 1.00 0.00 H new ATOM 0 HB THR A 52 -0.772 23.276 1.444 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.928 22.878 0.592 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.515 22.653 3.712 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.748 24.258 3.734 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.521 24.118 3.799 1.00 0.00 H new ATOM 754 N LYS A 53 -0.994 27.408 1.671 1.00 0.00 N ATOM 755 CA LYS A 53 -0.082 28.433 2.150 1.00 0.00 C ATOM 756 C LYS A 53 -0.226 28.570 3.667 1.00 0.00 C ATOM 757 O LYS A 53 0.549 29.279 4.306 1.00 0.00 O ATOM 758 CB LYS A 53 -0.301 29.743 1.390 1.00 0.00 C ATOM 759 CG LYS A 53 0.224 29.641 -0.043 1.00 0.00 C ATOM 760 CD LYS A 53 0.707 31.002 -0.548 1.00 0.00 C ATOM 761 CE LYS A 53 1.774 30.837 -1.633 1.00 0.00 C ATOM 762 NZ LYS A 53 3.096 30.572 -1.023 1.00 0.00 N ATOM 0 H LYS A 53 -1.810 27.762 1.172 1.00 0.00 H new ATOM 0 HA LYS A 53 0.951 28.146 1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.364 29.985 1.375 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.205 30.557 1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.043 28.922 -0.084 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.563 29.265 -0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.136 31.567 -0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.114 31.579 0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.502 30.016 -2.297 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.823 31.739 -2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.809 30.463 -1.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.360 31.368 -0.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.050 29.699 -0.459 1.00 0.00 H new ATOM 776 N GLU A 54 -1.224 27.880 4.199 1.00 0.00 N ATOM 777 CA GLU A 54 -1.480 27.915 5.629 1.00 0.00 C ATOM 778 C GLU A 54 -0.188 27.653 6.406 1.00 0.00 C ATOM 779 O GLU A 54 -0.071 28.033 7.570 1.00 0.00 O ATOM 780 CB GLU A 54 -2.566 26.911 6.017 1.00 0.00 C ATOM 781 CG GLU A 54 -3.929 27.596 6.135 1.00 0.00 C ATOM 782 CD GLU A 54 -4.211 28.472 4.913 1.00 0.00 C ATOM 783 OE1 GLU A 54 -3.803 29.653 4.955 1.00 0.00 O ATOM 784 OE2 GLU A 54 -4.826 27.941 3.964 1.00 0.00 O ATOM 0 H GLU A 54 -1.865 27.293 3.665 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.842 28.910 5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.617 26.118 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.308 26.440 6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.711 26.843 6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.956 28.206 7.038 1.00 0.00 H new ATOM 791 N SER A 55 0.750 27.005 5.730 1.00 0.00 N ATOM 792 CA SER A 55 2.029 26.687 6.343 1.00 0.00 C ATOM 793 C SER A 55 1.868 25.513 7.311 1.00 0.00 C ATOM 794 O SER A 55 2.454 24.451 7.106 1.00 0.00 O ATOM 795 CB SER A 55 2.607 27.902 7.073 1.00 0.00 C ATOM 796 OG SER A 55 2.817 27.641 8.458 1.00 0.00 O ATOM 0 H SER A 55 0.650 26.692 4.764 1.00 0.00 H new ATOM 0 HA SER A 55 2.726 26.406 5.554 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.552 28.188 6.610 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.929 28.748 6.962 1.00 0.00 H new ATOM 0 HG SER A 55 3.188 28.439 8.889 1.00 0.00 H new ATOM 802 N SER A 56 1.071 25.744 8.344 1.00 0.00 N ATOM 803 CA SER A 56 0.826 24.719 9.343 1.00 0.00 C ATOM 804 C SER A 56 0.129 23.518 8.701 1.00 0.00 C ATOM 805 O SER A 56 0.474 22.371 8.983 1.00 0.00 O ATOM 806 CB SER A 56 -0.015 25.266 10.499 1.00 0.00 C ATOM 807 OG SER A 56 -1.250 25.813 10.047 1.00 0.00 O ATOM 0 H SER A 56 0.587 26.626 8.510 1.00 0.00 H new ATOM 0 HA SER A 56 1.786 24.400 9.748 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.212 24.467 11.214 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.550 26.034 11.027 1.00 0.00 H new ATOM 0 HG SER A 56 -1.759 26.150 10.814 1.00 0.00 H new ATOM 813 N LYS A 57 -0.840 23.822 7.851 1.00 0.00 N ATOM 814 CA LYS A 57 -1.589 22.782 7.166 1.00 0.00 C ATOM 815 C LYS A 57 -0.621 21.896 6.379 1.00 0.00 C ATOM 816 O LYS A 57 -0.777 20.676 6.346 1.00 0.00 O ATOM 817 CB LYS A 57 -2.697 23.395 6.308 1.00 0.00 C ATOM 818 CG LYS A 57 -3.795 24.003 7.184 1.00 0.00 C ATOM 819 CD LYS A 57 -5.161 23.402 6.846 1.00 0.00 C ATOM 820 CE LYS A 57 -5.556 22.331 7.864 1.00 0.00 C ATOM 821 NZ LYS A 57 -6.587 22.852 8.790 1.00 0.00 N ATOM 0 H LYS A 57 -1.124 24.774 7.621 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.095 22.140 7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.277 24.164 5.659 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.125 22.630 5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.566 23.827 8.235 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.823 25.083 7.041 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.915 24.189 6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.134 22.967 5.847 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.936 21.450 7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.678 22.015 8.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.844 22.113 9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.212 23.679 9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.430 23.131 8.249 1.00 0.00 H new ATOM 835 N ARG A 58 0.357 22.544 5.765 1.00 0.00 N ATOM 836 CA ARG A 58 1.350 21.831 4.980 1.00 0.00 C ATOM 837 C ARG A 58 2.001 20.731 5.821 1.00 0.00 C ATOM 838 O ARG A 58 2.211 19.619 5.340 1.00 0.00 O ATOM 839 CB ARG A 58 2.435 22.782 4.468 1.00 0.00 C ATOM 840 CG ARG A 58 1.842 23.836 3.531 1.00 0.00 C ATOM 841 CD ARG A 58 2.897 24.869 3.131 1.00 0.00 C ATOM 842 NE ARG A 58 3.826 24.286 2.138 1.00 0.00 N ATOM 843 CZ ARG A 58 4.913 23.569 2.456 1.00 0.00 C ATOM 844 NH1 ARG A 58 5.213 23.343 3.742 1.00 0.00 N ATOM 845 NH2 ARG A 58 5.699 23.079 1.488 1.00 0.00 N ATOM 0 H ARG A 58 0.483 23.556 5.795 1.00 0.00 H new ATOM 0 HA ARG A 58 0.840 21.386 4.125 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.921 23.272 5.311 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.203 22.214 3.943 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.445 23.352 2.639 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.007 24.335 4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.413 25.752 2.714 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.451 25.195 4.011 1.00 0.00 H new ATOM 0 HE ARG A 58 3.627 24.439 1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.614 23.716 4.479 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.040 22.797 3.984 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.470 23.252 0.509 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.526 22.533 1.730 1.00 0.00 H new ATOM 859 N CYS A 59 2.304 21.081 7.063 1.00 0.00 N ATOM 860 CA CYS A 59 2.927 20.137 7.975 1.00 0.00 C ATOM 861 C CYS A 59 1.977 18.953 8.164 1.00 0.00 C ATOM 862 O CYS A 59 2.362 17.804 7.953 1.00 0.00 O ATOM 863 CB CYS A 59 3.291 20.795 9.308 1.00 0.00 C ATOM 864 SG CYS A 59 4.848 20.082 9.953 1.00 0.00 S ATOM 0 H CYS A 59 2.130 22.005 7.459 1.00 0.00 H new ATOM 0 HA CYS A 59 3.867 19.783 7.551 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.402 21.871 9.173 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.487 20.645 10.028 1.00 0.00 H new ATOM 0 HG CYS A 59 5.149 20.649 11.083 1.00 0.00 H new ATOM 870 N VAL A 60 0.754 19.274 8.560 1.00 0.00 N ATOM 871 CA VAL A 60 -0.254 18.251 8.779 1.00 0.00 C ATOM 872 C VAL A 60 -0.441 17.441 7.495 1.00 0.00 C ATOM 873 O VAL A 60 -0.309 16.218 7.503 1.00 0.00 O ATOM 874 CB VAL A 60 -1.552 18.892 9.276 1.00 0.00 C ATOM 875 CG1 VAL A 60 -2.639 17.837 9.487 1.00 0.00 C ATOM 876 CG2 VAL A 60 -1.311 19.696 10.555 1.00 0.00 C ATOM 0 H VAL A 60 0.439 20.228 8.735 1.00 0.00 H new ATOM 0 HA VAL A 60 0.069 17.558 9.556 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.901 19.582 8.508 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.550 18.319 9.840 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.840 17.328 8.544 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.303 17.111 10.227 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.249 20.141 10.887 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.927 19.036 11.333 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.585 20.485 10.358 1.00 0.00 H new ATOM 886 N LEU A 61 -0.747 18.156 6.422 1.00 0.00 N ATOM 887 CA LEU A 61 -0.953 17.519 5.132 1.00 0.00 C ATOM 888 C LEU A 61 0.213 16.572 4.843 1.00 0.00 C ATOM 889 O LEU A 61 0.019 15.365 4.708 1.00 0.00 O ATOM 890 CB LEU A 61 -1.175 18.571 4.044 1.00 0.00 C ATOM 891 CG LEU A 61 -2.587 19.153 3.952 1.00 0.00 C ATOM 892 CD1 LEU A 61 -2.571 20.526 3.278 1.00 0.00 C ATOM 893 CD2 LEU A 61 -3.536 18.181 3.249 1.00 0.00 C ATOM 0 H LEU A 61 -0.857 19.170 6.419 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.859 16.914 5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.476 19.390 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.923 18.128 3.081 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.964 19.296 4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.587 20.917 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.949 21.208 3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.166 20.432 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.533 18.619 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.173 17.984 2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.579 17.246 3.808 1.00 0.00 H new ATOM 905 N ARG A 62 1.400 17.155 4.757 1.00 0.00 N ATOM 906 CA ARG A 62 2.598 16.379 4.487 1.00 0.00 C ATOM 907 C ARG A 62 2.668 15.168 5.420 1.00 0.00 C ATOM 908 O ARG A 62 3.255 14.145 5.073 1.00 0.00 O ATOM 909 CB ARG A 62 3.857 17.228 4.668 1.00 0.00 C ATOM 910 CG ARG A 62 4.168 18.026 3.400 1.00 0.00 C ATOM 911 CD ARG A 62 5.618 18.513 3.400 1.00 0.00 C ATOM 912 NE ARG A 62 6.384 17.822 2.338 1.00 0.00 N ATOM 913 CZ ARG A 62 7.678 18.049 2.077 1.00 0.00 C ATOM 914 NH1 ARG A 62 8.360 18.950 2.798 1.00 0.00 N ATOM 915 NH2 ARG A 62 8.291 17.376 1.094 1.00 0.00 N ATOM 0 H ARG A 62 1.557 18.156 4.870 1.00 0.00 H new ATOM 0 HA ARG A 62 2.548 16.041 3.452 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.722 17.910 5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.702 16.584 4.913 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.989 17.405 2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.494 18.880 3.329 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.648 19.591 3.239 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.074 18.323 4.371 1.00 0.00 H new ATOM 0 HE ARG A 62 5.896 17.130 1.770 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.894 19.463 3.546 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.345 19.122 2.599 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.772 16.691 0.544 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.276 17.549 0.895 1.00 0.00 H new ATOM 929 N THR A 63 2.061 15.326 6.588 1.00 0.00 N ATOM 930 CA THR A 63 2.047 14.259 7.574 1.00 0.00 C ATOM 931 C THR A 63 0.952 13.243 7.245 1.00 0.00 C ATOM 932 O THR A 63 1.070 12.066 7.584 1.00 0.00 O ATOM 933 CB THR A 63 1.890 14.895 8.956 1.00 0.00 C ATOM 934 OG1 THR A 63 3.218 14.937 9.472 1.00 0.00 O ATOM 935 CG2 THR A 63 1.139 13.991 9.935 1.00 0.00 C ATOM 0 H THR A 63 1.576 16.177 6.873 1.00 0.00 H new ATOM 0 HA THR A 63 2.981 13.698 7.563 1.00 0.00 H new ATOM 0 HB THR A 63 1.362 15.844 8.860 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.209 15.337 10.366 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.055 14.490 10.900 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.142 13.783 9.547 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.684 13.055 10.057 1.00 0.00 H new ATOM 943 N LYS A 64 -0.089 13.734 6.588 1.00 0.00 N ATOM 944 CA LYS A 64 -1.204 12.883 6.210 1.00 0.00 C ATOM 945 C LYS A 64 -0.871 12.166 4.900 1.00 0.00 C ATOM 946 O LYS A 64 -0.925 10.939 4.828 1.00 0.00 O ATOM 947 CB LYS A 64 -2.501 13.693 6.155 1.00 0.00 C ATOM 948 CG LYS A 64 -3.389 13.387 7.363 1.00 0.00 C ATOM 949 CD LYS A 64 -4.797 13.954 7.166 1.00 0.00 C ATOM 950 CE LYS A 64 -5.140 14.962 8.264 1.00 0.00 C ATOM 951 NZ LYS A 64 -6.579 14.887 8.605 1.00 0.00 N ATOM 0 H LYS A 64 -0.183 14.710 6.308 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.368 12.112 6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.269 14.758 6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.039 13.463 5.236 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.445 12.309 7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.944 13.812 8.263 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.866 14.436 6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.524 13.142 7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.539 14.761 9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.891 15.970 7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.795 15.578 9.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.147 15.101 7.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.806 13.930 8.942 1.00 0.00 H new ATOM 965 N ILE A 65 -0.534 12.962 3.895 1.00 0.00 N ATOM 966 CA ILE A 65 -0.193 12.419 2.592 1.00 0.00 C ATOM 967 C ILE A 65 0.800 11.268 2.768 1.00 0.00 C ATOM 968 O ILE A 65 0.495 10.124 2.435 1.00 0.00 O ATOM 969 CB ILE A 65 0.308 13.527 1.664 1.00 0.00 C ATOM 970 CG1 ILE A 65 -0.860 14.328 1.085 1.00 0.00 C ATOM 971 CG2 ILE A 65 1.212 12.959 0.568 1.00 0.00 C ATOM 972 CD1 ILE A 65 -0.503 15.811 0.966 1.00 0.00 C ATOM 0 H ILE A 65 -0.490 13.979 3.958 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.078 12.006 2.108 1.00 0.00 H new ATOM 0 HB ILE A 65 0.912 14.217 2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.124 13.934 0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.737 14.211 1.722 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.554 13.768 -0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.073 12.470 1.024 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.654 12.234 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.351 16.357 0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.263 16.208 1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.359 15.926 0.309 1.00 0.00 H new ATOM 984 N SER A 66 1.968 11.612 3.290 1.00 0.00 N ATOM 985 CA SER A 66 3.008 10.622 3.514 1.00 0.00 C ATOM 986 C SER A 66 2.453 9.456 4.335 1.00 0.00 C ATOM 987 O SER A 66 2.609 8.296 3.956 1.00 0.00 O ATOM 988 CB SER A 66 4.215 11.241 4.222 1.00 0.00 C ATOM 989 OG SER A 66 3.921 11.592 5.571 1.00 0.00 O ATOM 0 H SER A 66 2.217 12.562 3.564 1.00 0.00 H new ATOM 0 HA SER A 66 3.340 10.251 2.545 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.046 10.536 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.538 12.129 3.679 1.00 0.00 H new ATOM 0 HG SER A 66 3.645 12.531 5.612 1.00 0.00 H new ATOM 995 N GLY A 67 1.815 9.805 5.443 1.00 0.00 N ATOM 996 CA GLY A 67 1.236 8.802 6.320 1.00 0.00 C ATOM 997 C GLY A 67 0.331 7.847 5.538 1.00 0.00 C ATOM 998 O GLY A 67 0.158 6.693 5.926 1.00 0.00 O ATOM 0 H GLY A 67 1.687 10.768 5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.031 8.238 6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.662 9.290 7.107 1.00 0.00 H new ATOM 1002 N TYR A 68 -0.222 8.364 4.451 1.00 0.00 N ATOM 1003 CA TYR A 68 -1.105 7.571 3.611 1.00 0.00 C ATOM 1004 C TYR A 68 -0.337 6.947 2.445 1.00 0.00 C ATOM 1005 O TYR A 68 -0.823 6.016 1.804 1.00 0.00 O ATOM 1006 CB TYR A 68 -2.146 8.545 3.057 1.00 0.00 C ATOM 1007 CG TYR A 68 -3.143 9.052 4.102 1.00 0.00 C ATOM 1008 CD1 TYR A 68 -3.835 8.153 4.888 1.00 0.00 C ATOM 1009 CD2 TYR A 68 -3.349 10.407 4.258 1.00 0.00 C ATOM 1010 CE1 TYR A 68 -4.772 8.629 5.871 1.00 0.00 C ATOM 1011 CE2 TYR A 68 -4.287 10.884 5.241 1.00 0.00 C ATOM 1012 CZ TYR A 68 -4.952 9.971 5.999 1.00 0.00 C ATOM 1013 OH TYR A 68 -5.838 10.421 6.928 1.00 0.00 O ATOM 0 H TYR A 68 -0.076 9.322 4.132 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.554 6.760 4.184 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.631 9.399 2.617 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.696 8.055 2.253 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.673 7.092 4.765 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.807 11.110 3.643 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.320 7.936 6.493 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.459 11.942 5.373 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.876 9.789 7.676 1.00 0.00 H new ATOM 1023 N MET A 69 0.851 7.483 2.204 1.00 0.00 N ATOM 1024 CA MET A 69 1.691 6.990 1.126 1.00 0.00 C ATOM 1025 C MET A 69 2.414 5.706 1.538 1.00 0.00 C ATOM 1026 O MET A 69 2.538 4.777 0.742 1.00 0.00 O ATOM 1027 CB MET A 69 2.720 8.058 0.752 1.00 0.00 C ATOM 1028 CG MET A 69 2.076 9.175 -0.072 1.00 0.00 C ATOM 1029 SD MET A 69 3.284 9.899 -1.169 1.00 0.00 S ATOM 1030 CE MET A 69 3.086 8.838 -2.591 1.00 0.00 C ATOM 0 H MET A 69 1.252 8.254 2.738 1.00 0.00 H new ATOM 0 HA MET A 69 1.056 6.768 0.268 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.160 8.476 1.657 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.531 7.603 0.184 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.241 8.777 -0.649 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.670 9.939 0.591 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.772 9.152 -3.378 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.304 7.808 -2.310 1.00 0.00 H new ATOM 0 HE3 MET A 69 2.061 8.905 -2.955 1.00 0.00 H new ATOM 1040 N ASP A 70 2.871 5.695 2.781 1.00 0.00 N ATOM 1041 CA ASP A 70 3.579 4.541 3.308 1.00 0.00 C ATOM 1042 C ASP A 70 2.657 3.320 3.265 1.00 0.00 C ATOM 1043 O ASP A 70 3.033 2.272 2.743 1.00 0.00 O ATOM 1044 CB ASP A 70 3.995 4.767 4.763 1.00 0.00 C ATOM 1045 CG ASP A 70 4.736 3.596 5.413 1.00 0.00 C ATOM 1046 OD1 ASP A 70 5.171 2.707 4.651 1.00 0.00 O ATOM 1047 OD2 ASP A 70 4.849 3.618 6.658 1.00 0.00 O ATOM 0 H ASP A 70 2.765 6.467 3.439 1.00 0.00 H new ATOM 0 HA ASP A 70 4.469 4.384 2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.631 5.651 4.810 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.103 4.984 5.351 1.00 0.00 H new ATOM 1052 N ARG A 71 1.467 3.497 3.821 1.00 0.00 N ATOM 1053 CA ARG A 71 0.489 2.423 3.852 1.00 0.00 C ATOM 1054 C ARG A 71 0.203 1.924 2.434 1.00 0.00 C ATOM 1055 O ARG A 71 0.198 0.719 2.185 1.00 0.00 O ATOM 1056 CB ARG A 71 -0.819 2.887 4.496 1.00 0.00 C ATOM 1057 CG ARG A 71 -1.685 1.693 4.901 1.00 0.00 C ATOM 1058 CD ARG A 71 -0.864 0.656 5.671 1.00 0.00 C ATOM 1059 NE ARG A 71 -1.742 -0.103 6.590 1.00 0.00 N ATOM 1060 CZ ARG A 71 -2.322 0.421 7.678 1.00 0.00 C ATOM 1061 NH1 ARG A 71 -2.122 1.709 7.990 1.00 0.00 N ATOM 1062 NH2 ARG A 71 -3.103 -0.343 8.454 1.00 0.00 N ATOM 0 H ARG A 71 1.158 4.368 4.253 1.00 0.00 H new ATOM 0 HA ARG A 71 0.906 1.612 4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.600 3.496 5.373 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.368 3.519 3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.516 2.035 5.518 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.116 1.233 4.012 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.378 -0.026 4.973 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.074 1.152 6.236 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.916 -1.086 6.382 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.528 2.291 7.399 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.564 2.108 8.818 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.256 -1.323 8.216 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.545 0.056 9.282 1.00 0.00 H new ATOM 1076 N ALA A 72 -0.029 2.876 1.542 1.00 0.00 N ATOM 1077 CA ALA A 72 -0.315 2.548 0.156 1.00 0.00 C ATOM 1078 C ALA A 72 0.837 1.721 -0.417 1.00 0.00 C ATOM 1079 O ALA A 72 0.624 0.624 -0.930 1.00 0.00 O ATOM 1080 CB ALA A 72 -0.557 3.836 -0.634 1.00 0.00 C ATOM 0 H ALA A 72 -0.025 3.874 1.752 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.221 1.946 0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.772 3.590 -1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.404 4.372 -0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.332 4.465 -0.586 1.00 0.00 H new ATOM 1086 N GLU A 73 2.034 2.279 -0.310 1.00 0.00 N ATOM 1087 CA GLU A 73 3.221 1.607 -0.811 1.00 0.00 C ATOM 1088 C GLU A 73 3.251 0.154 -0.330 1.00 0.00 C ATOM 1089 O GLU A 73 3.145 -0.771 -1.133 1.00 0.00 O ATOM 1090 CB GLU A 73 4.491 2.350 -0.390 1.00 0.00 C ATOM 1091 CG GLU A 73 4.972 3.284 -1.502 1.00 0.00 C ATOM 1092 CD GLU A 73 6.421 3.716 -1.266 1.00 0.00 C ATOM 1093 OE1 GLU A 73 7.303 2.839 -1.390 1.00 0.00 O ATOM 1094 OE2 GLU A 73 6.614 4.914 -0.966 1.00 0.00 O ATOM 0 H GLU A 73 2.207 3.189 0.116 1.00 0.00 H new ATOM 0 HA GLU A 73 3.183 1.608 -1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.297 2.926 0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.274 1.631 -0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.891 2.780 -2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.329 4.163 -1.547 1.00 0.00 H new ATOM 1101 N ASN A 74 3.396 0.000 0.978 1.00 0.00 N ATOM 1102 CA ASN A 74 3.442 -1.323 1.575 1.00 0.00 C ATOM 1103 C ASN A 74 2.424 -2.228 0.878 1.00 0.00 C ATOM 1104 O ASN A 74 2.750 -3.347 0.484 1.00 0.00 O ATOM 1105 CB ASN A 74 3.086 -1.269 3.062 1.00 0.00 C ATOM 1106 CG ASN A 74 4.320 -1.517 3.931 1.00 0.00 C ATOM 1107 OD1 ASN A 74 5.101 -2.426 3.701 1.00 0.00 O ATOM 1108 ND2 ASN A 74 4.453 -0.661 4.940 1.00 0.00 N ATOM 0 H ASN A 74 3.483 0.770 1.641 1.00 0.00 H new ATOM 0 HA ASN A 74 4.455 -1.710 1.460 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.658 -0.296 3.302 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.324 -2.016 3.284 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.245 -0.743 5.577 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.763 0.078 5.076 1.00 0.00 H new ATOM 1115 N ILE A 75 1.212 -1.710 0.747 1.00 0.00 N ATOM 1116 CA ILE A 75 0.144 -2.457 0.104 1.00 0.00 C ATOM 1117 C ILE A 75 0.548 -2.779 -1.336 1.00 0.00 C ATOM 1118 O ILE A 75 0.714 -3.944 -1.692 1.00 0.00 O ATOM 1119 CB ILE A 75 -1.182 -1.701 0.216 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -1.762 -1.817 1.626 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -2.172 -2.169 -0.852 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -2.924 -0.841 1.824 1.00 0.00 C ATOM 0 H ILE A 75 0.945 -0.782 1.075 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.014 -3.408 0.612 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.989 -0.644 0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.106 -2.837 1.799 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.983 -1.614 2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.106 -1.616 -0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.751 -1.991 -1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.366 -3.234 -0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.318 -0.944 2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.571 0.180 1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.712 -1.062 1.104 1.00 0.00 H new ATOM 1134 N LYS A 76 0.695 -1.725 -2.126 1.00 0.00 N ATOM 1135 CA LYS A 76 1.077 -1.881 -3.519 1.00 0.00 C ATOM 1136 C LYS A 76 2.198 -2.918 -3.623 1.00 0.00 C ATOM 1137 O LYS A 76 2.093 -3.876 -4.387 1.00 0.00 O ATOM 1138 CB LYS A 76 1.435 -0.525 -4.132 1.00 0.00 C ATOM 1139 CG LYS A 76 0.271 0.028 -4.956 1.00 0.00 C ATOM 1140 CD LYS A 76 0.716 0.354 -6.383 1.00 0.00 C ATOM 1141 CE LYS A 76 1.347 1.746 -6.456 1.00 0.00 C ATOM 1142 NZ LYS A 76 2.492 1.747 -7.394 1.00 0.00 N ATOM 0 H LYS A 76 0.556 -0.760 -1.827 1.00 0.00 H new ATOM 0 HA LYS A 76 0.238 -2.258 -4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.692 0.179 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.316 -0.629 -4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.540 -0.700 -4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.122 0.926 -4.480 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.433 -0.393 -6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.140 0.303 -7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.602 2.473 -6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.681 2.053 -5.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.909 2.699 -7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.209 1.068 -7.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.164 1.475 -8.343 1.00 0.00 H new ATOM 1156 N LYS A 77 3.245 -2.691 -2.844 1.00 0.00 N ATOM 1157 CA LYS A 77 4.384 -3.593 -2.839 1.00 0.00 C ATOM 1158 C LYS A 77 3.900 -5.016 -2.550 1.00 0.00 C ATOM 1159 O LYS A 77 4.423 -5.979 -3.109 1.00 0.00 O ATOM 1160 CB LYS A 77 5.455 -3.098 -1.865 1.00 0.00 C ATOM 1161 CG LYS A 77 6.391 -2.096 -2.543 1.00 0.00 C ATOM 1162 CD LYS A 77 5.749 -0.710 -2.618 1.00 0.00 C ATOM 1163 CE LYS A 77 4.748 -0.630 -3.773 1.00 0.00 C ATOM 1164 NZ LYS A 77 5.154 0.415 -4.739 1.00 0.00 N ATOM 0 H LYS A 77 3.329 -1.895 -2.212 1.00 0.00 H new ATOM 0 HA LYS A 77 4.861 -3.610 -3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.979 -2.631 -1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.031 -3.944 -1.492 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.328 -2.037 -1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.635 -2.443 -3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.243 -0.488 -1.678 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.523 0.046 -2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.687 -1.595 -4.276 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.753 -0.409 -3.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.464 0.456 -5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.190 1.337 -4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.094 0.188 -5.122 1.00 0.00 H new ATOM 1178 N TYR A 78 2.907 -5.103 -1.677 1.00 0.00 N ATOM 1179 CA TYR A 78 2.347 -6.392 -1.307 1.00 0.00 C ATOM 1180 C TYR A 78 1.359 -6.885 -2.366 1.00 0.00 C ATOM 1181 O TYR A 78 1.094 -8.082 -2.463 1.00 0.00 O ATOM 1182 CB TYR A 78 1.598 -6.165 0.007 1.00 0.00 C ATOM 1183 CG TYR A 78 0.355 -7.042 0.174 1.00 0.00 C ATOM 1184 CD1 TYR A 78 0.478 -8.327 0.661 1.00 0.00 C ATOM 1185 CD2 TYR A 78 -0.889 -6.547 -0.161 1.00 0.00 C ATOM 1186 CE1 TYR A 78 -0.691 -9.153 0.818 1.00 0.00 C ATOM 1187 CE2 TYR A 78 -2.058 -7.373 -0.004 1.00 0.00 C ATOM 1188 CZ TYR A 78 -1.902 -8.635 0.478 1.00 0.00 C ATOM 1189 OH TYR A 78 -3.006 -9.414 0.627 1.00 0.00 O ATOM 0 H TYR A 78 2.476 -4.302 -1.215 1.00 0.00 H new ATOM 0 HA TYR A 78 3.134 -7.140 -1.215 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.278 -6.354 0.838 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.302 -5.118 0.069 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.451 -8.714 0.925 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.986 -5.541 -0.541 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.608 -10.161 1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -3.037 -6.998 -0.263 1.00 0.00 H new ATOM 0 HH TYR A 78 -3.800 -8.913 0.346 1.00 0.00 H new ATOM 1199 N LEU A 79 0.841 -5.937 -3.132 1.00 0.00 N ATOM 1200 CA LEU A 79 -0.113 -6.259 -4.180 1.00 0.00 C ATOM 1201 C LEU A 79 0.645 -6.657 -5.448 1.00 0.00 C ATOM 1202 O LEU A 79 0.202 -7.531 -6.192 1.00 0.00 O ATOM 1203 CB LEU A 79 -1.093 -5.103 -4.387 1.00 0.00 C ATOM 1204 CG LEU A 79 -1.955 -4.730 -3.179 1.00 0.00 C ATOM 1205 CD1 LEU A 79 -2.832 -3.514 -3.486 1.00 0.00 C ATOM 1206 CD2 LEU A 79 -2.781 -5.927 -2.704 1.00 0.00 C ATOM 0 H LEU A 79 1.064 -4.945 -3.048 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.723 -7.115 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.527 -4.222 -4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.754 -5.357 -5.215 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.292 -4.451 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.435 -3.270 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.199 -2.664 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.488 -3.741 -4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.384 -5.635 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.435 -6.261 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.113 -6.740 -2.419 1.00 0.00 H new ATOM 1218 N ASP A 80 1.775 -5.997 -5.656 1.00 0.00 N ATOM 1219 CA ASP A 80 2.599 -6.272 -6.821 1.00 0.00 C ATOM 1220 C ASP A 80 3.163 -7.690 -6.719 1.00 0.00 C ATOM 1221 O ASP A 80 3.497 -8.303 -7.731 1.00 0.00 O ATOM 1222 CB ASP A 80 3.777 -5.299 -6.904 1.00 0.00 C ATOM 1223 CG ASP A 80 3.512 -4.030 -7.717 1.00 0.00 C ATOM 1224 OD1 ASP A 80 2.400 -3.940 -8.281 1.00 0.00 O ATOM 1225 OD2 ASP A 80 4.427 -3.180 -7.757 1.00 0.00 O ATOM 0 H ASP A 80 2.139 -5.272 -5.037 1.00 0.00 H new ATOM 0 HA ASP A 80 1.976 -6.161 -7.708 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.063 -5.011 -5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.629 -5.820 -7.340 1.00 0.00 H new ATOM 1230 N GLN A 81 3.253 -8.170 -5.487 1.00 0.00 N ATOM 1231 CA GLN A 81 3.771 -9.504 -5.239 1.00 0.00 C ATOM 1232 C GLN A 81 2.626 -10.518 -5.193 1.00 0.00 C ATOM 1233 O GLN A 81 2.770 -11.644 -5.667 1.00 0.00 O ATOM 1234 CB GLN A 81 4.591 -9.543 -3.948 1.00 0.00 C ATOM 1235 CG GLN A 81 3.711 -9.251 -2.731 1.00 0.00 C ATOM 1236 CD GLN A 81 4.529 -9.298 -1.439 1.00 0.00 C ATOM 1237 OE1 GLN A 81 5.692 -8.931 -1.396 1.00 0.00 O ATOM 1238 NE2 GLN A 81 3.859 -9.770 -0.391 1.00 0.00 N ATOM 0 H GLN A 81 2.976 -7.658 -4.650 1.00 0.00 H new ATOM 0 HA GLN A 81 4.435 -9.773 -6.060 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.057 -10.522 -3.838 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.397 -8.811 -4.003 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.250 -8.269 -2.838 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.902 -9.979 -2.680 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.887 -10.060 -0.496 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.318 -9.842 0.517 1.00 0.00 H new ATOM 1247 N GLU A 82 1.515 -10.082 -4.618 1.00 0.00 N ATOM 1248 CA GLU A 82 0.346 -10.938 -4.503 1.00 0.00 C ATOM 1249 C GLU A 82 -0.330 -11.098 -5.866 1.00 0.00 C ATOM 1250 O GLU A 82 -1.005 -12.096 -6.115 1.00 0.00 O ATOM 1251 CB GLU A 82 -0.635 -10.389 -3.465 1.00 0.00 C ATOM 1252 CG GLU A 82 -0.150 -10.682 -2.044 1.00 0.00 C ATOM 1253 CD GLU A 82 -0.854 -11.912 -1.467 1.00 0.00 C ATOM 1254 OE1 GLU A 82 -2.104 -11.899 -1.459 1.00 0.00 O ATOM 1255 OE2 GLU A 82 -0.126 -12.837 -1.047 1.00 0.00 O ATOM 0 H GLU A 82 1.399 -9.147 -4.227 1.00 0.00 H new ATOM 0 HA GLU A 82 0.671 -11.921 -4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.749 -9.313 -3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.618 -10.835 -3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.928 -10.845 -2.050 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.338 -9.818 -1.406 1.00 0.00 H new ATOM 1262 N LYS A 83 -0.125 -10.100 -6.714 1.00 0.00 N ATOM 1263 CA LYS A 83 -0.706 -10.118 -8.045 1.00 0.00 C ATOM 1264 C LYS A 83 -0.101 -11.273 -8.846 1.00 0.00 C ATOM 1265 O LYS A 83 -0.764 -11.852 -9.705 1.00 0.00 O ATOM 1266 CB LYS A 83 -0.547 -8.753 -8.718 1.00 0.00 C ATOM 1267 CG LYS A 83 0.912 -8.497 -9.100 1.00 0.00 C ATOM 1268 CD LYS A 83 1.006 -7.702 -10.404 1.00 0.00 C ATOM 1269 CE LYS A 83 1.068 -6.199 -10.126 1.00 0.00 C ATOM 1270 NZ LYS A 83 0.886 -5.432 -11.379 1.00 0.00 N ATOM 0 H LYS A 83 0.436 -9.274 -6.504 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.780 -10.297 -7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.173 -8.708 -9.609 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.893 -7.969 -8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.411 -7.950 -8.300 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.435 -9.447 -9.211 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.892 -8.010 -10.959 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.144 -7.924 -11.033 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.295 -5.924 -9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.027 -5.946 -9.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.931 -4.414 -11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.639 -5.682 -12.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.040 -5.660 -11.795 1.00 0.00 H new ATOM 1284 N GLU A 84 1.152 -11.573 -8.536 1.00 0.00 N ATOM 1285 CA GLU A 84 1.854 -12.648 -9.216 1.00 0.00 C ATOM 1286 C GLU A 84 1.916 -13.889 -8.324 1.00 0.00 C ATOM 1287 O GLU A 84 1.072 -14.778 -8.431 1.00 0.00 O ATOM 1288 CB GLU A 84 3.257 -12.205 -9.638 1.00 0.00 C ATOM 1289 CG GLU A 84 3.773 -11.083 -8.735 1.00 0.00 C ATOM 1290 CD GLU A 84 5.278 -10.881 -8.917 1.00 0.00 C ATOM 1291 OE1 GLU A 84 5.642 -10.151 -9.864 1.00 0.00 O ATOM 1292 OE2 GLU A 84 6.031 -11.461 -8.106 1.00 0.00 O ATOM 0 H GLU A 84 1.699 -11.090 -7.823 1.00 0.00 H new ATOM 0 HA GLU A 84 1.301 -12.902 -10.120 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.939 -13.054 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.239 -11.864 -10.673 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.248 -10.156 -8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.558 -11.322 -7.693 1.00 0.00 H new ATOM 1299 N ASP A 85 2.924 -13.911 -7.464 1.00 0.00 N ATOM 1300 CA ASP A 85 3.106 -15.029 -6.554 1.00 0.00 C ATOM 1301 C ASP A 85 3.137 -16.333 -7.354 1.00 0.00 C ATOM 1302 O ASP A 85 2.890 -17.407 -6.807 1.00 0.00 O ATOM 1303 CB ASP A 85 1.954 -15.117 -5.551 1.00 0.00 C ATOM 1304 CG ASP A 85 2.295 -15.817 -4.234 1.00 0.00 C ATOM 1305 OD1 ASP A 85 2.733 -15.102 -3.307 1.00 0.00 O ATOM 1306 OD2 ASP A 85 2.110 -17.053 -4.183 1.00 0.00 O ATOM 0 H ASP A 85 3.623 -13.173 -7.378 1.00 0.00 H new ATOM 0 HA ASP A 85 4.041 -14.876 -6.016 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.607 -14.108 -5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.123 -15.644 -6.020 1.00 0.00 H new ATOM 1311 N GLY A 86 3.442 -16.196 -8.636 1.00 0.00 N ATOM 1312 CA GLY A 86 3.508 -17.349 -9.517 1.00 0.00 C ATOM 1313 C GLY A 86 2.187 -18.120 -9.511 1.00 0.00 C ATOM 1314 O GLY A 86 2.170 -19.333 -9.717 1.00 0.00 O ATOM 0 H GLY A 86 3.646 -15.304 -9.086 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.738 -17.023 -10.531 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.318 -18.006 -9.201 1.00 0.00 H new ATOM 1318 N LYS A 87 1.111 -17.385 -9.273 1.00 0.00 N ATOM 1319 CA LYS A 87 -0.213 -17.984 -9.238 1.00 0.00 C ATOM 1320 C LYS A 87 -0.404 -18.860 -10.477 1.00 0.00 C ATOM 1321 O LYS A 87 -0.695 -20.050 -10.362 1.00 0.00 O ATOM 1322 CB LYS A 87 -1.285 -16.905 -9.076 1.00 0.00 C ATOM 1323 CG LYS A 87 -1.511 -16.574 -7.599 1.00 0.00 C ATOM 1324 CD LYS A 87 -2.141 -15.189 -7.437 1.00 0.00 C ATOM 1325 CE LYS A 87 -3.667 -15.267 -7.530 1.00 0.00 C ATOM 1326 NZ LYS A 87 -4.292 -14.530 -6.409 1.00 0.00 N ATOM 0 H LYS A 87 1.129 -16.380 -9.102 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.315 -18.634 -8.369 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.984 -16.005 -9.612 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.219 -17.245 -9.523 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.158 -17.327 -7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.561 -16.610 -7.065 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.853 -14.765 -6.475 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.760 -14.520 -8.208 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.001 -14.849 -8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.986 -16.309 -7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.327 -14.593 -6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.987 -14.947 -5.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.002 -13.532 -6.445 1.00 0.00 H new ATOM 1340 N SER A 88 -0.234 -18.238 -11.635 1.00 0.00 N ATOM 1341 CA SER A 88 -0.384 -18.946 -12.894 1.00 0.00 C ATOM 1342 C SER A 88 -1.734 -19.666 -12.932 1.00 0.00 C ATOM 1343 O SER A 88 -1.890 -20.731 -12.337 1.00 0.00 O ATOM 1344 CB SER A 88 0.756 -19.944 -13.105 1.00 0.00 C ATOM 1345 OG SER A 88 2.003 -19.291 -13.328 1.00 0.00 O ATOM 0 H SER A 88 0.006 -17.251 -11.727 1.00 0.00 H new ATOM 0 HA SER A 88 -0.345 -18.216 -13.703 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.837 -20.592 -12.232 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.525 -20.584 -13.956 1.00 0.00 H new ATOM 0 HG SER A 88 2.705 -19.962 -13.456 1.00 0.00 H new ATOM 1351 N GLY A 89 -2.674 -19.056 -13.638 1.00 0.00 N ATOM 1352 CA GLY A 89 -4.005 -19.625 -13.761 1.00 0.00 C ATOM 1353 C GLY A 89 -4.046 -20.692 -14.857 1.00 0.00 C ATOM 1354 O GLY A 89 -3.011 -21.060 -15.409 1.00 0.00 O ATOM 0 H GLY A 89 -2.540 -18.173 -14.131 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.306 -20.064 -12.810 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.722 -18.836 -13.989 1.00 0.00 H new ATOM 1358 N PRO A 90 -5.286 -21.171 -15.146 1.00 0.00 N ATOM 1359 CA PRO A 90 -5.475 -22.189 -16.166 1.00 0.00 C ATOM 1360 C PRO A 90 -5.341 -21.591 -17.568 1.00 0.00 C ATOM 1361 O PRO A 90 -6.249 -21.714 -18.389 1.00 0.00 O ATOM 1362 CB PRO A 90 -6.855 -22.765 -15.896 1.00 0.00 C ATOM 1363 CG PRO A 90 -7.573 -21.740 -15.033 1.00 0.00 C ATOM 1364 CD PRO A 90 -6.535 -20.759 -14.512 1.00 0.00 C ATOM 0 HA PRO A 90 -4.717 -22.971 -16.126 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.395 -22.938 -16.827 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.784 -23.725 -15.385 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.334 -21.218 -15.614 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.085 -22.230 -14.205 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.793 -19.733 -14.774 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.460 -20.801 -13.425 1.00 0.00 H new ATOM 1372 N SER A 91 -4.201 -20.956 -17.800 1.00 0.00 N ATOM 1373 CA SER A 91 -3.937 -20.339 -19.088 1.00 0.00 C ATOM 1374 C SER A 91 -5.186 -19.608 -19.585 1.00 0.00 C ATOM 1375 O SER A 91 -5.939 -20.141 -20.398 1.00 0.00 O ATOM 1376 CB SER A 91 -3.487 -21.380 -20.116 1.00 0.00 C ATOM 1377 OG SER A 91 -4.533 -22.289 -20.447 1.00 0.00 O ATOM 0 H SER A 91 -3.450 -20.856 -17.117 1.00 0.00 H new ATOM 0 HA SER A 91 -3.129 -19.619 -18.962 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.147 -20.874 -21.020 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.636 -21.935 -19.722 1.00 0.00 H new ATOM 0 HG SER A 91 -5.399 -21.886 -20.225 1.00 0.00 H new ATOM 1383 N SER A 92 -5.366 -18.399 -19.075 1.00 0.00 N ATOM 1384 CA SER A 92 -6.511 -17.589 -19.457 1.00 0.00 C ATOM 1385 C SER A 92 -6.358 -17.115 -20.903 1.00 0.00 C ATOM 1386 O SER A 92 -5.377 -16.457 -21.244 1.00 0.00 O ATOM 1387 CB SER A 92 -6.675 -16.391 -18.520 1.00 0.00 C ATOM 1388 OG SER A 92 -7.278 -16.759 -17.282 1.00 0.00 O ATOM 0 H SER A 92 -4.739 -17.960 -18.401 1.00 0.00 H new ATOM 0 HA SER A 92 -7.407 -18.204 -19.376 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.699 -15.944 -18.329 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.284 -15.630 -19.008 1.00 0.00 H new ATOM 0 HG SER A 92 -7.363 -15.967 -16.712 1.00 0.00 H new ATOM 1394 N GLY A 93 -7.344 -17.469 -21.715 1.00 0.00 N ATOM 1395 CA GLY A 93 -7.331 -17.088 -23.117 1.00 0.00 C ATOM 1396 C GLY A 93 -6.894 -15.631 -23.286 1.00 0.00 C ATOM 1397 O GLY A 93 -6.897 -15.103 -24.397 1.00 0.00 O ATOM 0 H GLY A 93 -8.156 -18.015 -21.429 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.654 -17.741 -23.668 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.324 -17.225 -23.544 1.00 0.00 H new TER 1401 GLY A 93