USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 722 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -2:sc= 0.0992 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -3.41 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0389 USER MOD Single : A 43 MET CE :methyl 174:sc= -0.78 (180deg=-0.868) USER MOD Single : A 45 MET CE :methyl 152:sc= -0.0366 (180deg=-0.75) USER MOD Single : A 48 MET CE :methyl 143:sc= -0.329 (180deg=-1.64!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -1.71 K(o=-1.7,f=-6.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -129:sc= 1 (180deg=-0.123) USER MOD Single : A 56 SER OG : rot -106:sc= -1.48 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -1.58 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.178 K(o=-0.18,f=-2.1!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 77 THR OG1 : rot -86:sc= 1.02 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 61:sc= 0.00874 USER MOD Single : A 97 SER OG : rot 54:sc= 0.924 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.206 26.318 -12.984 1.00 0.00 N ATOM 2 CA GLY A 1 1.358 26.157 -13.854 1.00 0.00 C ATOM 3 C GLY A 1 2.205 24.956 -13.427 1.00 0.00 C ATOM 4 O GLY A 1 3.056 25.074 -12.546 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.352 27.139 -13.295 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.384 25.462 -13.027 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.528 26.468 -12.006 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.025 26.024 -14.883 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.965 27.062 -13.830 1.00 0.00 H new ATOM 8 N SER A 2 1.942 23.828 -14.070 1.00 0.00 N ATOM 9 CA SER A 2 2.669 22.607 -13.767 1.00 0.00 C ATOM 10 C SER A 2 2.663 21.679 -14.983 1.00 0.00 C ATOM 11 O SER A 2 1.813 21.809 -15.863 1.00 0.00 O ATOM 12 CB SER A 2 2.069 21.895 -12.553 1.00 0.00 C ATOM 13 OG SER A 2 2.138 22.696 -11.377 1.00 0.00 O ATOM 0 H SER A 2 1.235 23.734 -14.800 1.00 0.00 H new ATOM 0 HA SER A 2 3.698 22.873 -13.526 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.029 21.642 -12.759 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.598 20.957 -12.384 1.00 0.00 H new ATOM 0 HG SER A 2 2.587 23.542 -11.583 1.00 0.00 H new ATOM 19 N SER A 3 3.620 20.763 -14.994 1.00 0.00 N ATOM 20 CA SER A 3 3.736 19.814 -16.088 1.00 0.00 C ATOM 21 C SER A 3 4.943 18.901 -15.863 1.00 0.00 C ATOM 22 O SER A 3 5.954 19.328 -15.307 1.00 0.00 O ATOM 23 CB SER A 3 3.859 20.535 -17.432 1.00 0.00 C ATOM 24 OG SER A 3 4.920 21.486 -17.432 1.00 0.00 O ATOM 0 H SER A 3 4.323 20.658 -14.262 1.00 0.00 H new ATOM 0 HA SER A 3 2.830 19.208 -16.113 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.028 19.803 -18.222 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.920 21.039 -17.660 1.00 0.00 H new ATOM 0 HG SER A 3 4.967 21.924 -18.308 1.00 0.00 H new ATOM 30 N GLY A 4 4.797 17.661 -16.306 1.00 0.00 N ATOM 31 CA GLY A 4 5.862 16.683 -16.160 1.00 0.00 C ATOM 32 C GLY A 4 5.524 15.389 -16.902 1.00 0.00 C ATOM 33 O GLY A 4 5.113 14.406 -16.288 1.00 0.00 O ATOM 0 H GLY A 4 3.957 17.311 -16.766 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.794 17.095 -16.546 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.022 16.469 -15.103 1.00 0.00 H new ATOM 37 N SER A 5 5.710 15.430 -18.213 1.00 0.00 N ATOM 38 CA SER A 5 5.430 14.273 -19.046 1.00 0.00 C ATOM 39 C SER A 5 6.657 13.360 -19.103 1.00 0.00 C ATOM 40 O SER A 5 7.653 13.692 -19.744 1.00 0.00 O ATOM 41 CB SER A 5 5.018 14.696 -20.457 1.00 0.00 C ATOM 42 OG SER A 5 3.711 14.236 -20.792 1.00 0.00 O ATOM 0 H SER A 5 6.051 16.247 -18.719 1.00 0.00 H new ATOM 0 HA SER A 5 4.598 13.726 -18.603 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.051 15.783 -20.534 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.736 14.304 -21.177 1.00 0.00 H new ATOM 0 HG SER A 5 3.484 14.528 -21.700 1.00 0.00 H new ATOM 48 N SER A 6 6.545 12.228 -18.423 1.00 0.00 N ATOM 49 CA SER A 6 7.633 11.265 -18.389 1.00 0.00 C ATOM 50 C SER A 6 7.080 9.846 -18.540 1.00 0.00 C ATOM 51 O SER A 6 7.418 9.143 -19.492 1.00 0.00 O ATOM 52 CB SER A 6 8.434 11.387 -17.091 1.00 0.00 C ATOM 53 OG SER A 6 9.625 12.149 -17.269 1.00 0.00 O ATOM 0 H SER A 6 5.718 11.956 -17.892 1.00 0.00 H new ATOM 0 HA SER A 6 8.305 11.477 -19.221 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.815 11.855 -16.326 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.691 10.392 -16.729 1.00 0.00 H new ATOM 0 HG SER A 6 10.107 12.205 -16.418 1.00 0.00 H new ATOM 59 N GLY A 7 6.240 9.468 -17.588 1.00 0.00 N ATOM 60 CA GLY A 7 5.638 8.145 -17.604 1.00 0.00 C ATOM 61 C GLY A 7 5.052 7.793 -16.235 1.00 0.00 C ATOM 62 O GLY A 7 5.728 7.191 -15.403 1.00 0.00 O ATOM 0 H GLY A 7 5.962 10.054 -16.801 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.854 8.108 -18.360 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.387 7.404 -17.885 1.00 0.00 H new ATOM 66 N VAL A 8 3.800 8.184 -16.046 1.00 0.00 N ATOM 67 CA VAL A 8 3.115 7.917 -14.792 1.00 0.00 C ATOM 68 C VAL A 8 4.078 8.158 -13.628 1.00 0.00 C ATOM 69 O VAL A 8 4.252 7.293 -12.772 1.00 0.00 O ATOM 70 CB VAL A 8 2.535 6.501 -14.804 1.00 0.00 C ATOM 71 CG1 VAL A 8 1.468 6.355 -15.892 1.00 0.00 C ATOM 72 CG2 VAL A 8 3.639 5.457 -14.975 1.00 0.00 C ATOM 0 H VAL A 8 3.243 8.683 -16.739 1.00 0.00 H new ATOM 0 HA VAL A 8 2.274 8.598 -14.664 1.00 0.00 H new ATOM 0 HB VAL A 8 2.057 6.327 -13.840 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.072 5.340 -15.879 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.660 7.062 -15.706 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.912 6.559 -16.866 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.199 4.460 -14.980 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.159 5.629 -15.917 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.347 5.537 -14.150 1.00 0.00 H new ATOM 82 N SER A 9 4.680 9.339 -13.635 1.00 0.00 N ATOM 83 CA SER A 9 5.621 9.705 -12.590 1.00 0.00 C ATOM 84 C SER A 9 4.904 10.496 -11.494 1.00 0.00 C ATOM 85 O SER A 9 4.080 11.362 -11.785 1.00 0.00 O ATOM 86 CB SER A 9 6.785 10.520 -13.158 1.00 0.00 C ATOM 87 OG SER A 9 7.974 10.358 -12.390 1.00 0.00 O ATOM 0 H SER A 9 4.534 10.054 -14.348 1.00 0.00 H new ATOM 0 HA SER A 9 6.029 8.790 -12.161 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.974 10.214 -14.187 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.511 11.575 -13.184 1.00 0.00 H new ATOM 0 HG SER A 9 8.694 10.892 -12.785 1.00 0.00 H new ATOM 93 N SER A 10 5.244 10.170 -10.255 1.00 0.00 N ATOM 94 CA SER A 10 4.643 10.840 -9.114 1.00 0.00 C ATOM 95 C SER A 10 5.734 11.329 -8.160 1.00 0.00 C ATOM 96 O SER A 10 5.860 12.529 -7.918 1.00 0.00 O ATOM 97 CB SER A 10 3.673 9.912 -8.379 1.00 0.00 C ATOM 98 OG SER A 10 2.334 10.397 -8.421 1.00 0.00 O ATOM 0 H SER A 10 5.927 9.451 -10.017 1.00 0.00 H new ATOM 0 HA SER A 10 4.078 11.697 -9.480 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.713 8.919 -8.826 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.988 9.807 -7.341 1.00 0.00 H new ATOM 0 HG SER A 10 1.746 9.776 -7.943 1.00 0.00 H new ATOM 104 N GLN A 11 6.497 10.376 -7.645 1.00 0.00 N ATOM 105 CA GLN A 11 7.573 10.695 -6.723 1.00 0.00 C ATOM 106 C GLN A 11 7.004 11.218 -5.402 1.00 0.00 C ATOM 107 O GLN A 11 6.772 12.417 -5.254 1.00 0.00 O ATOM 108 CB GLN A 11 8.543 11.705 -7.340 1.00 0.00 C ATOM 109 CG GLN A 11 9.836 11.021 -7.788 1.00 0.00 C ATOM 110 CD GLN A 11 10.847 12.046 -8.308 1.00 0.00 C ATOM 111 OE1 GLN A 11 11.025 13.117 -7.751 1.00 0.00 O ATOM 112 NE2 GLN A 11 11.495 11.658 -9.402 1.00 0.00 N ATOM 0 H GLN A 11 6.391 9.382 -7.849 1.00 0.00 H new ATOM 0 HA GLN A 11 8.132 9.782 -6.519 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.071 12.193 -8.193 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.773 12.484 -6.614 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.268 10.470 -6.953 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.615 10.294 -8.569 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.296 10.747 -9.816 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.191 12.271 -9.827 1.00 0.00 H new ATOM 121 N GLU A 12 6.796 10.294 -4.477 1.00 0.00 N ATOM 122 CA GLU A 12 6.259 10.646 -3.174 1.00 0.00 C ATOM 123 C GLU A 12 6.648 9.591 -2.136 1.00 0.00 C ATOM 124 O GLU A 12 6.306 8.419 -2.280 1.00 0.00 O ATOM 125 CB GLU A 12 4.740 10.821 -3.236 1.00 0.00 C ATOM 126 CG GLU A 12 4.356 12.301 -3.179 1.00 0.00 C ATOM 127 CD GLU A 12 3.360 12.652 -4.286 1.00 0.00 C ATOM 128 OE1 GLU A 12 3.816 12.762 -5.445 1.00 0.00 O ATOM 129 OE2 GLU A 12 2.166 12.802 -3.949 1.00 0.00 O ATOM 0 H GLU A 12 6.990 9.301 -4.604 1.00 0.00 H new ATOM 0 HA GLU A 12 6.690 11.600 -2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.356 10.377 -4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.275 10.289 -2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.920 12.530 -2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.250 12.916 -3.281 1.00 0.00 H new ATOM 136 N THR A 13 7.356 10.047 -1.113 1.00 0.00 N ATOM 137 CA THR A 13 7.795 9.157 -0.051 1.00 0.00 C ATOM 138 C THR A 13 6.976 9.398 1.219 1.00 0.00 C ATOM 139 O THR A 13 6.170 8.556 1.611 1.00 0.00 O ATOM 140 CB THR A 13 9.298 9.361 0.146 1.00 0.00 C ATOM 141 OG1 THR A 13 9.880 8.824 -1.038 1.00 0.00 O ATOM 142 CG2 THR A 13 9.865 8.490 1.269 1.00 0.00 C ATOM 0 H THR A 13 7.637 11.021 -0.997 1.00 0.00 H new ATOM 0 HA THR A 13 7.627 8.113 -0.315 1.00 0.00 H new ATOM 0 HB THR A 13 9.496 10.410 0.366 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.855 8.917 -0.995 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.935 8.674 1.367 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.367 8.736 2.207 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.697 7.439 1.034 1.00 0.00 H new ATOM 150 N GLN A 14 7.213 10.551 1.826 1.00 0.00 N ATOM 151 CA GLN A 14 6.508 10.914 3.044 1.00 0.00 C ATOM 152 C GLN A 14 5.020 11.125 2.753 1.00 0.00 C ATOM 153 O GLN A 14 4.643 11.438 1.625 1.00 0.00 O ATOM 154 CB GLN A 14 7.123 12.159 3.684 1.00 0.00 C ATOM 155 CG GLN A 14 6.817 13.409 2.857 1.00 0.00 C ATOM 156 CD GLN A 14 8.107 14.090 2.393 1.00 0.00 C ATOM 157 OE1 GLN A 14 9.015 14.347 3.166 1.00 0.00 O ATOM 158 NE2 GLN A 14 8.135 14.367 1.093 1.00 0.00 N ATOM 0 H GLN A 14 7.883 11.246 1.498 1.00 0.00 H new ATOM 0 HA GLN A 14 6.607 10.094 3.756 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.733 12.283 4.694 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.202 12.032 3.772 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.213 13.137 1.991 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.227 14.107 3.451 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.339 14.124 0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.952 14.822 0.686 1.00 0.00 H new ATOM 167 N GLY A 15 4.216 10.945 3.791 1.00 0.00 N ATOM 168 CA GLY A 15 2.778 11.112 3.661 1.00 0.00 C ATOM 169 C GLY A 15 2.061 9.762 3.735 1.00 0.00 C ATOM 170 O GLY A 15 1.749 9.280 4.823 1.00 0.00 O ATOM 0 H GLY A 15 4.533 10.685 4.725 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.411 11.767 4.452 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.549 11.598 2.713 1.00 0.00 H new ATOM 174 N GLY A 16 1.820 9.191 2.564 1.00 0.00 N ATOM 175 CA GLY A 16 1.145 7.907 2.483 1.00 0.00 C ATOM 176 C GLY A 16 2.040 6.783 3.010 1.00 0.00 C ATOM 177 O GLY A 16 3.254 6.948 3.113 1.00 0.00 O ATOM 0 H GLY A 16 2.080 9.594 1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.220 7.941 3.059 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.869 7.702 1.449 1.00 0.00 H new ATOM 181 N PRO A 17 1.388 5.636 3.338 1.00 0.00 N ATOM 182 CA PRO A 17 2.111 4.485 3.852 1.00 0.00 C ATOM 183 C PRO A 17 2.873 3.772 2.733 1.00 0.00 C ATOM 184 O PRO A 17 2.328 3.542 1.654 1.00 0.00 O ATOM 185 CB PRO A 17 1.049 3.610 4.498 1.00 0.00 C ATOM 186 CG PRO A 17 -0.279 4.070 3.919 1.00 0.00 C ATOM 187 CD PRO A 17 -0.050 5.404 3.229 1.00 0.00 C ATOM 0 HA PRO A 17 2.878 4.759 4.577 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.226 2.557 4.281 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.061 3.718 5.583 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.662 3.335 3.211 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.025 4.171 4.708 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.368 5.370 2.187 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.617 6.201 3.710 1.00 0.00 H new ATOM 195 N LEU A 18 4.122 3.442 3.029 1.00 0.00 N ATOM 196 CA LEU A 18 4.965 2.760 2.061 1.00 0.00 C ATOM 197 C LEU A 18 4.999 1.265 2.385 1.00 0.00 C ATOM 198 O LEU A 18 5.498 0.866 3.436 1.00 0.00 O ATOM 199 CB LEU A 18 6.349 3.409 2.005 1.00 0.00 C ATOM 200 CG LEU A 18 6.401 4.831 1.440 1.00 0.00 C ATOM 201 CD1 LEU A 18 7.841 5.340 1.369 1.00 0.00 C ATOM 202 CD2 LEU A 18 5.698 4.908 0.083 1.00 0.00 C ATOM 0 H LEU A 18 4.570 3.634 3.925 1.00 0.00 H new ATOM 0 HA LEU A 18 4.551 2.860 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.762 3.425 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.001 2.776 1.403 1.00 0.00 H new ATOM 0 HG LEU A 18 5.860 5.489 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.850 6.352 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.275 5.345 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.427 4.686 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.749 5.929 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.189 4.235 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.654 4.615 0.197 1.00 0.00 H new ATOM 214 N ALA A 19 4.463 0.480 1.463 1.00 0.00 N ATOM 215 CA ALA A 19 4.426 -0.962 1.638 1.00 0.00 C ATOM 216 C ALA A 19 5.746 -1.431 2.252 1.00 0.00 C ATOM 217 O ALA A 19 6.806 -0.891 1.941 1.00 0.00 O ATOM 218 CB ALA A 19 4.139 -1.632 0.293 1.00 0.00 C ATOM 0 H ALA A 19 4.051 0.815 0.592 1.00 0.00 H new ATOM 0 HA ALA A 19 3.625 -1.245 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.111 -2.714 0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.177 -1.288 -0.087 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.924 -1.373 -0.418 1.00 0.00 H new ATOM 224 N PRO A 20 5.636 -2.458 3.137 1.00 0.00 N ATOM 225 CA PRO A 20 6.808 -3.006 3.798 1.00 0.00 C ATOM 226 C PRO A 20 7.623 -3.875 2.838 1.00 0.00 C ATOM 227 O PRO A 20 8.852 -3.819 2.836 1.00 0.00 O ATOM 228 CB PRO A 20 6.263 -3.783 4.985 1.00 0.00 C ATOM 229 CG PRO A 20 4.794 -4.030 4.683 1.00 0.00 C ATOM 230 CD PRO A 20 4.396 -3.123 3.530 1.00 0.00 C ATOM 0 HA PRO A 20 7.503 -2.235 4.129 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.798 -4.723 5.115 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.382 -3.218 5.909 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.629 -5.075 4.421 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.183 -3.821 5.561 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.974 -3.695 2.704 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.639 -2.401 3.837 1.00 0.00 H new ATOM 238 N MET A 21 6.906 -4.658 2.046 1.00 0.00 N ATOM 239 CA MET A 21 7.547 -5.537 1.083 1.00 0.00 C ATOM 240 C MET A 21 6.682 -5.706 -0.167 1.00 0.00 C ATOM 241 O MET A 21 5.590 -5.146 -0.251 1.00 0.00 O ATOM 242 CB MET A 21 7.790 -6.905 1.724 1.00 0.00 C ATOM 243 CG MET A 21 6.501 -7.464 2.330 1.00 0.00 C ATOM 244 SD MET A 21 6.889 -8.690 3.567 1.00 0.00 S ATOM 245 CE MET A 21 5.998 -8.019 4.960 1.00 0.00 C ATOM 0 H MET A 21 5.887 -4.702 2.051 1.00 0.00 H new ATOM 0 HA MET A 21 8.496 -5.090 0.787 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.174 -7.598 0.976 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.552 -6.817 2.499 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.919 -6.657 2.776 1.00 0.00 H new ATOM 0 HG3 MET A 21 5.884 -7.907 1.548 1.00 0.00 H new ATOM 0 HE1 MET A 21 6.134 -8.667 5.825 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.378 -7.023 5.189 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.937 -7.956 4.717 1.00 0.00 H new ATOM 255 N THR A 22 7.203 -6.480 -1.108 1.00 0.00 N ATOM 256 CA THR A 22 6.491 -6.729 -2.350 1.00 0.00 C ATOM 257 C THR A 22 5.501 -7.882 -2.176 1.00 0.00 C ATOM 258 O THR A 22 5.905 -9.027 -1.978 1.00 0.00 O ATOM 259 CB THR A 22 7.528 -6.979 -3.447 1.00 0.00 C ATOM 260 OG1 THR A 22 8.066 -5.688 -3.718 1.00 0.00 O ATOM 261 CG2 THR A 22 6.890 -7.402 -4.772 1.00 0.00 C ATOM 0 H THR A 22 8.109 -6.943 -1.035 1.00 0.00 H new ATOM 0 HA THR A 22 5.890 -5.867 -2.641 1.00 0.00 H new ATOM 0 HB THR A 22 8.225 -7.750 -3.117 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.748 -5.758 -4.418 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.670 -7.566 -5.515 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.327 -8.324 -4.627 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.218 -6.617 -5.119 1.00 0.00 H new ATOM 269 N GLY A 23 4.224 -7.540 -2.256 1.00 0.00 N ATOM 270 CA GLY A 23 3.173 -8.533 -2.109 1.00 0.00 C ATOM 271 C GLY A 23 1.957 -8.175 -2.967 1.00 0.00 C ATOM 272 O GLY A 23 2.046 -7.326 -3.853 1.00 0.00 O ATOM 0 H GLY A 23 3.893 -6.589 -2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.551 -9.514 -2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.877 -8.602 -1.062 1.00 0.00 H new ATOM 276 N THR A 24 0.850 -8.842 -2.675 1.00 0.00 N ATOM 277 CA THR A 24 -0.382 -8.605 -3.408 1.00 0.00 C ATOM 278 C THR A 24 -1.484 -8.128 -2.460 1.00 0.00 C ATOM 279 O THR A 24 -1.570 -8.587 -1.323 1.00 0.00 O ATOM 280 CB THR A 24 -0.739 -9.889 -4.159 1.00 0.00 C ATOM 281 OG1 THR A 24 0.295 -10.024 -5.130 1.00 0.00 O ATOM 282 CG2 THR A 24 -2.015 -9.745 -4.991 1.00 0.00 C ATOM 0 H THR A 24 0.781 -9.547 -1.941 1.00 0.00 H new ATOM 0 HA THR A 24 -0.260 -7.807 -4.140 1.00 0.00 H new ATOM 0 HB THR A 24 -0.861 -10.704 -3.445 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.142 -10.834 -5.661 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.223 -10.684 -5.503 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.850 -9.496 -4.336 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.882 -8.952 -5.727 1.00 0.00 H new ATOM 290 N ILE A 25 -2.298 -7.212 -2.964 1.00 0.00 N ATOM 291 CA ILE A 25 -3.391 -6.668 -2.177 1.00 0.00 C ATOM 292 C ILE A 25 -4.515 -7.703 -2.087 1.00 0.00 C ATOM 293 O ILE A 25 -5.037 -8.147 -3.109 1.00 0.00 O ATOM 294 CB ILE A 25 -3.841 -5.320 -2.743 1.00 0.00 C ATOM 295 CG1 ILE A 25 -2.637 -4.434 -3.070 1.00 0.00 C ATOM 296 CG2 ILE A 25 -4.822 -4.627 -1.796 1.00 0.00 C ATOM 297 CD1 ILE A 25 -1.747 -4.243 -1.841 1.00 0.00 C ATOM 0 H ILE A 25 -2.222 -6.833 -3.908 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.061 -6.466 -1.158 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.371 -5.502 -3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.058 -4.884 -3.876 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.981 -3.464 -3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.126 -3.671 -2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.700 -5.258 -1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.340 -4.458 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.899 -3.610 -2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.322 -3.770 -1.045 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.385 -5.213 -1.500 1.00 0.00 H new ATOM 309 N GLU A 26 -4.853 -8.057 -0.856 1.00 0.00 N ATOM 310 CA GLU A 26 -5.905 -9.031 -0.621 1.00 0.00 C ATOM 311 C GLU A 26 -7.223 -8.323 -0.301 1.00 0.00 C ATOM 312 O GLU A 26 -8.262 -8.649 -0.874 1.00 0.00 O ATOM 313 CB GLU A 26 -5.516 -9.998 0.500 1.00 0.00 C ATOM 314 CG GLU A 26 -6.494 -11.172 0.575 1.00 0.00 C ATOM 315 CD GLU A 26 -6.193 -12.206 -0.512 1.00 0.00 C ATOM 316 OE1 GLU A 26 -6.075 -11.782 -1.681 1.00 0.00 O ATOM 317 OE2 GLU A 26 -6.088 -13.398 -0.148 1.00 0.00 O ATOM 0 H GLU A 26 -4.417 -7.687 -0.011 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.041 -9.616 -1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.506 -10.371 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.503 -9.469 1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.430 -11.642 1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.515 -10.807 0.462 1.00 0.00 H new ATOM 324 N LYS A 27 -7.138 -7.367 0.612 1.00 0.00 N ATOM 325 CA LYS A 27 -8.311 -6.609 1.014 1.00 0.00 C ATOM 326 C LYS A 27 -7.949 -5.125 1.101 1.00 0.00 C ATOM 327 O LYS A 27 -6.826 -4.776 1.460 1.00 0.00 O ATOM 328 CB LYS A 27 -8.896 -7.176 2.309 1.00 0.00 C ATOM 329 CG LYS A 27 -9.922 -8.272 2.014 1.00 0.00 C ATOM 330 CD LYS A 27 -11.332 -7.689 1.907 1.00 0.00 C ATOM 331 CE LYS A 27 -11.841 -7.745 0.465 1.00 0.00 C ATOM 332 NZ LYS A 27 -13.304 -7.525 0.423 1.00 0.00 N ATOM 0 H LYS A 27 -6.275 -7.100 1.085 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.099 -6.702 0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.095 -7.580 2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.367 -6.376 2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.662 -8.777 1.084 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.894 -9.023 2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.009 -8.243 2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.330 -6.656 2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.336 -6.988 -0.135 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.600 -8.713 0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.633 -7.566 -0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.782 -8.263 0.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.526 -6.591 0.823 1.00 0.00 H new ATOM 346 N VAL A 28 -8.923 -4.291 0.765 1.00 0.00 N ATOM 347 CA VAL A 28 -8.721 -2.853 0.800 1.00 0.00 C ATOM 348 C VAL A 28 -9.841 -2.205 1.616 1.00 0.00 C ATOM 349 O VAL A 28 -10.942 -1.994 1.109 1.00 0.00 O ATOM 350 CB VAL A 28 -8.625 -2.303 -0.625 1.00 0.00 C ATOM 351 CG1 VAL A 28 -8.803 -0.783 -0.639 1.00 0.00 C ATOM 352 CG2 VAL A 28 -7.302 -2.707 -1.280 1.00 0.00 C ATOM 0 H VAL A 28 -9.854 -4.584 0.467 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.779 -2.612 1.292 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.435 -2.740 -1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.730 -0.418 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.781 -0.527 -0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.025 -0.320 -0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.259 -2.304 -2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.471 -2.311 -0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.233 -3.794 -1.319 1.00 0.00 H new ATOM 362 N PHE A 29 -9.522 -1.907 2.867 1.00 0.00 N ATOM 363 CA PHE A 29 -10.488 -1.288 3.759 1.00 0.00 C ATOM 364 C PHE A 29 -10.280 0.226 3.826 1.00 0.00 C ATOM 365 O PHE A 29 -10.186 0.796 4.912 1.00 0.00 O ATOM 366 CB PHE A 29 -10.261 -1.885 5.149 1.00 0.00 C ATOM 367 CG PHE A 29 -10.314 -3.413 5.186 1.00 0.00 C ATOM 368 CD1 PHE A 29 -11.409 -4.067 4.714 1.00 0.00 C ATOM 369 CD2 PHE A 29 -9.266 -4.118 5.691 1.00 0.00 C ATOM 370 CE1 PHE A 29 -11.458 -5.486 4.749 1.00 0.00 C ATOM 371 CE2 PHE A 29 -9.315 -5.536 5.726 1.00 0.00 C ATOM 372 CZ PHE A 29 -10.410 -6.191 5.254 1.00 0.00 C ATOM 0 H PHE A 29 -8.608 -2.083 3.284 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.500 -1.473 3.398 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.290 -1.556 5.520 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.014 -1.489 5.831 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.241 -3.508 4.313 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.396 -3.599 6.065 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.328 -6.005 4.375 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.483 -6.095 6.127 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.447 -7.270 5.280 1.00 0.00 H new ATOM 382 N VAL A 30 -10.213 0.835 2.651 1.00 0.00 N ATOM 383 CA VAL A 30 -10.017 2.273 2.563 1.00 0.00 C ATOM 384 C VAL A 30 -10.722 2.803 1.314 1.00 0.00 C ATOM 385 O VAL A 30 -11.354 2.042 0.582 1.00 0.00 O ATOM 386 CB VAL A 30 -8.523 2.600 2.592 1.00 0.00 C ATOM 387 CG1 VAL A 30 -7.904 2.219 3.938 1.00 0.00 C ATOM 388 CG2 VAL A 30 -7.790 1.914 1.437 1.00 0.00 C ATOM 0 H VAL A 30 -10.291 0.359 1.752 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.461 2.773 3.423 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.413 3.677 2.466 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.841 2.462 3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.398 2.773 4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.031 1.150 4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.730 2.163 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.913 0.834 1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.204 2.256 0.489 1.00 0.00 H new ATOM 398 N LYS A 31 -10.590 4.105 1.107 1.00 0.00 N ATOM 399 CA LYS A 31 -11.206 4.747 -0.042 1.00 0.00 C ATOM 400 C LYS A 31 -10.887 6.243 -0.017 1.00 0.00 C ATOM 401 O LYS A 31 -10.290 6.738 0.937 1.00 0.00 O ATOM 402 CB LYS A 31 -12.704 4.438 -0.089 1.00 0.00 C ATOM 403 CG LYS A 31 -13.381 4.808 1.233 1.00 0.00 C ATOM 404 CD LYS A 31 -14.143 6.129 1.108 1.00 0.00 C ATOM 405 CE LYS A 31 -15.278 6.206 2.131 1.00 0.00 C ATOM 406 NZ LYS A 31 -16.551 6.566 1.468 1.00 0.00 N ATOM 0 H LYS A 31 -10.065 4.733 1.716 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.793 4.348 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.168 4.990 -0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.854 3.378 -0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.068 4.015 1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.631 4.890 2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.458 6.964 1.256 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.549 6.225 0.101 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.384 5.247 2.638 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.037 6.945 2.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.310 6.614 2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.451 7.492 1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.787 5.846 0.756 1.00 0.00 H new ATOM 420 N ALA A 32 -11.299 6.921 -1.078 1.00 0.00 N ATOM 421 CA ALA A 32 -11.065 8.351 -1.190 1.00 0.00 C ATOM 422 C ALA A 32 -12.047 9.097 -0.285 1.00 0.00 C ATOM 423 O ALA A 32 -13.183 8.661 -0.103 1.00 0.00 O ATOM 424 CB ALA A 32 -11.186 8.775 -2.656 1.00 0.00 C ATOM 0 H ALA A 32 -11.794 6.507 -1.868 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.057 8.602 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -11.011 9.847 -2.740 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.448 8.239 -3.252 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.186 8.541 -3.021 1.00 0.00 H new ATOM 430 N GLY A 33 -11.573 10.208 0.260 1.00 0.00 N ATOM 431 CA GLY A 33 -12.395 11.018 1.142 1.00 0.00 C ATOM 432 C GLY A 33 -12.827 10.221 2.374 1.00 0.00 C ATOM 433 O GLY A 33 -13.815 10.562 3.023 1.00 0.00 O ATOM 0 H GLY A 33 -10.630 10.566 0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.839 11.902 1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.276 11.369 0.604 1.00 0.00 H new ATOM 437 N ASP A 34 -12.066 9.175 2.660 1.00 0.00 N ATOM 438 CA ASP A 34 -12.358 8.327 3.803 1.00 0.00 C ATOM 439 C ASP A 34 -11.616 8.860 5.031 1.00 0.00 C ATOM 440 O ASP A 34 -10.787 9.761 4.917 1.00 0.00 O ATOM 441 CB ASP A 34 -11.892 6.891 3.556 1.00 0.00 C ATOM 442 CG ASP A 34 -12.711 5.814 4.271 1.00 0.00 C ATOM 443 OD1 ASP A 34 -13.891 6.101 4.566 1.00 0.00 O ATOM 444 OD2 ASP A 34 -12.138 4.728 4.505 1.00 0.00 O ATOM 0 H ASP A 34 -11.247 8.895 2.120 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.436 8.334 3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.919 6.695 2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.852 6.803 3.870 1.00 0.00 H new ATOM 449 N LYS A 35 -11.942 8.280 6.177 1.00 0.00 N ATOM 450 CA LYS A 35 -11.318 8.686 7.425 1.00 0.00 C ATOM 451 C LYS A 35 -10.727 7.456 8.117 1.00 0.00 C ATOM 452 O LYS A 35 -11.385 6.422 8.222 1.00 0.00 O ATOM 453 CB LYS A 35 -12.309 9.463 8.292 1.00 0.00 C ATOM 454 CG LYS A 35 -13.023 10.543 7.476 1.00 0.00 C ATOM 455 CD LYS A 35 -12.155 11.796 7.348 1.00 0.00 C ATOM 456 CE LYS A 35 -13.019 13.054 7.237 1.00 0.00 C ATOM 457 NZ LYS A 35 -12.885 13.884 8.455 1.00 0.00 N ATOM 0 H LYS A 35 -12.630 7.532 6.267 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.493 9.372 7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.043 8.777 8.715 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.783 9.923 9.129 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.260 10.158 6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.969 10.799 7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.498 11.877 8.214 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.515 11.711 6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.721 13.631 6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.063 12.774 7.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.478 14.734 8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.192 13.336 9.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.891 14.167 8.575 1.00 0.00 H new ATOM 471 N VAL A 36 -9.492 7.609 8.573 1.00 0.00 N ATOM 472 CA VAL A 36 -8.806 6.524 9.253 1.00 0.00 C ATOM 473 C VAL A 36 -8.109 7.070 10.501 1.00 0.00 C ATOM 474 O VAL A 36 -8.009 8.283 10.681 1.00 0.00 O ATOM 475 CB VAL A 36 -7.844 5.828 8.288 1.00 0.00 C ATOM 476 CG1 VAL A 36 -8.610 5.023 7.236 1.00 0.00 C ATOM 477 CG2 VAL A 36 -6.902 6.837 7.628 1.00 0.00 C ATOM 0 H VAL A 36 -8.949 8.468 8.485 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.519 5.768 9.583 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.236 5.132 8.866 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.903 4.538 6.563 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.219 4.265 7.730 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.255 5.691 6.665 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.229 6.315 6.947 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.486 7.569 7.071 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.319 7.346 8.395 1.00 0.00 H new ATOM 487 N LYS A 37 -7.645 6.148 11.332 1.00 0.00 N ATOM 488 CA LYS A 37 -6.961 6.521 12.558 1.00 0.00 C ATOM 489 C LYS A 37 -5.617 5.793 12.629 1.00 0.00 C ATOM 490 O LYS A 37 -5.538 4.599 12.343 1.00 0.00 O ATOM 491 CB LYS A 37 -7.860 6.272 13.771 1.00 0.00 C ATOM 492 CG LYS A 37 -9.030 7.258 13.798 1.00 0.00 C ATOM 493 CD LYS A 37 -8.851 8.290 14.914 1.00 0.00 C ATOM 494 CE LYS A 37 -9.618 7.876 16.171 1.00 0.00 C ATOM 495 NZ LYS A 37 -10.937 8.544 16.217 1.00 0.00 N ATOM 0 H LYS A 37 -7.730 5.143 11.180 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.746 7.590 12.564 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.241 5.251 13.742 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.277 6.369 14.687 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.105 7.766 12.836 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.964 6.716 13.945 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.792 8.397 15.149 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.202 9.264 14.573 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.751 6.794 16.183 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.041 8.136 17.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.444 8.252 17.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.804 9.575 16.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.492 8.275 15.379 1.00 0.00 H new ATOM 509 N ALA A 38 -4.594 6.543 13.012 1.00 0.00 N ATOM 510 CA ALA A 38 -3.258 5.984 13.124 1.00 0.00 C ATOM 511 C ALA A 38 -3.346 4.580 13.726 1.00 0.00 C ATOM 512 O ALA A 38 -3.801 4.412 14.856 1.00 0.00 O ATOM 513 CB ALA A 38 -2.380 6.921 13.956 1.00 0.00 C ATOM 0 H ALA A 38 -4.664 7.533 13.249 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.797 5.893 12.141 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.378 6.501 14.040 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.326 7.895 13.471 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.810 7.035 14.951 1.00 0.00 H new ATOM 519 N GLY A 39 -2.902 3.606 12.944 1.00 0.00 N ATOM 520 CA GLY A 39 -2.925 2.222 13.385 1.00 0.00 C ATOM 521 C GLY A 39 -4.254 1.555 13.027 1.00 0.00 C ATOM 522 O GLY A 39 -4.770 0.741 13.792 1.00 0.00 O ATOM 0 H GLY A 39 -2.524 3.749 12.007 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.103 1.675 12.922 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.770 2.177 14.463 1.00 0.00 H new ATOM 526 N ASP A 40 -4.770 1.923 11.864 1.00 0.00 N ATOM 527 CA ASP A 40 -6.029 1.370 11.395 1.00 0.00 C ATOM 528 C ASP A 40 -5.760 0.416 10.230 1.00 0.00 C ATOM 529 O ASP A 40 -4.845 0.640 9.439 1.00 0.00 O ATOM 530 CB ASP A 40 -6.964 2.473 10.896 1.00 0.00 C ATOM 531 CG ASP A 40 -8.006 2.947 11.912 1.00 0.00 C ATOM 532 OD1 ASP A 40 -7.807 2.648 13.110 1.00 0.00 O ATOM 533 OD2 ASP A 40 -8.977 3.596 11.468 1.00 0.00 O ATOM 0 H ASP A 40 -4.339 2.598 11.232 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.499 0.849 12.229 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.362 3.328 10.590 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.483 2.114 10.007 1.00 0.00 H new ATOM 538 N SER A 41 -6.573 -0.628 10.161 1.00 0.00 N ATOM 539 CA SER A 41 -6.434 -1.617 9.106 1.00 0.00 C ATOM 540 C SER A 41 -6.845 -1.010 7.763 1.00 0.00 C ATOM 541 O SER A 41 -8.003 -1.110 7.360 1.00 0.00 O ATOM 542 CB SER A 41 -7.271 -2.862 9.404 1.00 0.00 C ATOM 543 OG SER A 41 -8.529 -2.532 9.986 1.00 0.00 O ATOM 0 H SER A 41 -7.331 -0.810 10.819 1.00 0.00 H new ATOM 0 HA SER A 41 -5.388 -1.919 9.056 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.433 -3.419 8.481 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.720 -3.517 10.079 1.00 0.00 H new ATOM 0 HG SER A 41 -9.035 -3.353 10.160 1.00 0.00 H new ATOM 549 N LEU A 42 -5.873 -0.394 7.106 1.00 0.00 N ATOM 550 CA LEU A 42 -6.119 0.229 5.816 1.00 0.00 C ATOM 551 C LEU A 42 -6.432 -0.855 4.782 1.00 0.00 C ATOM 552 O LEU A 42 -7.560 -0.951 4.301 1.00 0.00 O ATOM 553 CB LEU A 42 -4.947 1.132 5.425 1.00 0.00 C ATOM 554 CG LEU A 42 -4.698 2.338 6.332 1.00 0.00 C ATOM 555 CD1 LEU A 42 -3.444 3.100 5.899 1.00 0.00 C ATOM 556 CD2 LEU A 42 -5.929 3.245 6.389 1.00 0.00 C ATOM 0 H LEU A 42 -4.914 -0.313 7.443 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.991 0.881 5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.040 0.527 5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.116 1.494 4.411 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.520 1.973 7.344 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.290 3.953 6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.580 2.438 5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.568 3.453 4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.725 4.095 7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.163 3.604 5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.777 2.683 6.780 1.00 0.00 H new ATOM 568 N MET A 43 -5.413 -1.643 4.472 1.00 0.00 N ATOM 569 CA MET A 43 -5.566 -2.716 3.504 1.00 0.00 C ATOM 570 C MET A 43 -4.807 -3.968 3.949 1.00 0.00 C ATOM 571 O MET A 43 -4.122 -3.952 4.971 1.00 0.00 O ATOM 572 CB MET A 43 -5.038 -2.256 2.144 1.00 0.00 C ATOM 573 CG MET A 43 -5.762 -0.993 1.673 1.00 0.00 C ATOM 574 SD MET A 43 -4.612 0.369 1.576 1.00 0.00 S ATOM 575 CE MET A 43 -4.202 0.305 -0.160 1.00 0.00 C ATOM 0 H MET A 43 -4.479 -1.560 4.874 1.00 0.00 H new ATOM 0 HA MET A 43 -6.625 -2.963 3.428 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.968 -2.062 2.212 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.172 -3.051 1.410 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.216 -1.167 0.697 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.570 -0.749 2.362 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.573 1.157 -0.417 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.666 -0.620 -0.373 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.117 0.339 -0.751 1.00 0.00 H new ATOM 585 N VAL A 44 -4.955 -5.022 3.161 1.00 0.00 N ATOM 586 CA VAL A 44 -4.292 -6.280 3.461 1.00 0.00 C ATOM 587 C VAL A 44 -3.444 -6.704 2.260 1.00 0.00 C ATOM 588 O VAL A 44 -3.907 -6.658 1.122 1.00 0.00 O ATOM 589 CB VAL A 44 -5.326 -7.333 3.864 1.00 0.00 C ATOM 590 CG1 VAL A 44 -4.661 -8.688 4.113 1.00 0.00 C ATOM 591 CG2 VAL A 44 -6.121 -6.880 5.091 1.00 0.00 C ATOM 0 H VAL A 44 -5.524 -5.031 2.315 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.618 -6.164 4.310 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.025 -7.449 3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.418 -9.418 4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.161 -9.020 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.929 -8.592 4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.849 -7.647 5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.440 -6.721 5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.641 -5.949 4.864 1.00 0.00 H new ATOM 601 N MET A 45 -2.217 -7.108 2.556 1.00 0.00 N ATOM 602 CA MET A 45 -1.301 -7.540 1.514 1.00 0.00 C ATOM 603 C MET A 45 -0.947 -9.020 1.675 1.00 0.00 C ATOM 604 O MET A 45 -1.257 -9.628 2.698 1.00 0.00 O ATOM 605 CB MET A 45 -0.024 -6.699 1.577 1.00 0.00 C ATOM 606 CG MET A 45 -0.213 -5.361 0.861 1.00 0.00 C ATOM 607 SD MET A 45 1.304 -4.421 0.913 1.00 0.00 S ATOM 608 CE MET A 45 2.174 -5.161 -0.459 1.00 0.00 C ATOM 0 H MET A 45 -1.836 -7.145 3.502 1.00 0.00 H new ATOM 0 HA MET A 45 -1.788 -7.405 0.548 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.249 -6.523 2.618 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.800 -7.247 1.120 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.509 -5.532 -0.174 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.017 -4.796 1.334 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.864 -4.434 -0.887 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.733 -6.029 -0.110 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.457 -5.472 -1.219 1.00 0.00 H new ATOM 618 N ILE A 46 -0.302 -9.556 0.649 1.00 0.00 N ATOM 619 CA ILE A 46 0.098 -10.953 0.664 1.00 0.00 C ATOM 620 C ILE A 46 1.490 -11.087 0.043 1.00 0.00 C ATOM 621 O ILE A 46 1.649 -10.949 -1.169 1.00 0.00 O ATOM 622 CB ILE A 46 -0.964 -11.821 -0.014 1.00 0.00 C ATOM 623 CG1 ILE A 46 -2.346 -11.570 0.592 1.00 0.00 C ATOM 624 CG2 ILE A 46 -0.576 -13.300 0.036 1.00 0.00 C ATOM 625 CD1 ILE A 46 -2.453 -12.187 1.988 1.00 0.00 C ATOM 0 H ILE A 46 -0.047 -9.048 -0.198 1.00 0.00 H new ATOM 0 HA ILE A 46 0.169 -11.318 1.688 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.017 -11.537 -1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.533 -10.498 0.649 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.114 -11.993 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.347 -13.895 -0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.374 -13.445 -0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.478 -13.615 1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.445 -11.994 2.396 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.290 -13.263 1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.700 -11.744 2.640 1.00 0.00 H new ATOM 637 N ALA A 47 2.463 -11.353 0.902 1.00 0.00 N ATOM 638 CA ALA A 47 3.836 -11.508 0.454 1.00 0.00 C ATOM 639 C ALA A 47 4.239 -12.980 0.555 1.00 0.00 C ATOM 640 O ALA A 47 3.907 -13.780 -0.319 1.00 0.00 O ATOM 641 CB ALA A 47 4.748 -10.596 1.277 1.00 0.00 C ATOM 0 H ALA A 47 2.327 -11.465 1.907 1.00 0.00 H new ATOM 0 HA ALA A 47 3.934 -11.211 -0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.778 -10.712 0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.439 -9.559 1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.678 -10.866 2.331 1.00 0.00 H new ATOM 647 N MET A 48 4.948 -13.294 1.629 1.00 0.00 N ATOM 648 CA MET A 48 5.400 -14.657 1.856 1.00 0.00 C ATOM 649 C MET A 48 4.216 -15.590 2.119 1.00 0.00 C ATOM 650 O MET A 48 4.052 -16.092 3.230 1.00 0.00 O ATOM 651 CB MET A 48 6.350 -14.687 3.054 1.00 0.00 C ATOM 652 CG MET A 48 7.760 -14.252 2.647 1.00 0.00 C ATOM 653 SD MET A 48 8.975 -15.203 3.543 1.00 0.00 S ATOM 654 CE MET A 48 8.621 -16.834 2.909 1.00 0.00 C ATOM 0 H MET A 48 5.221 -12.628 2.352 1.00 0.00 H new ATOM 0 HA MET A 48 5.919 -15.002 0.962 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.974 -14.029 3.837 1.00 0.00 H new ATOM 0 HB3 MET A 48 6.382 -15.693 3.472 1.00 0.00 H new ATOM 0 HG2 MET A 48 7.897 -14.390 1.574 1.00 0.00 H new ATOM 0 HG3 MET A 48 7.895 -13.190 2.851 1.00 0.00 H new ATOM 0 HE1 MET A 48 9.552 -17.389 2.793 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.969 -17.361 3.605 1.00 0.00 H new ATOM 0 HE3 MET A 48 8.126 -16.749 1.942 1.00 0.00 H new ATOM 664 N LYS A 49 3.422 -15.794 1.078 1.00 0.00 N ATOM 665 CA LYS A 49 2.259 -16.658 1.183 1.00 0.00 C ATOM 666 C LYS A 49 1.578 -16.429 2.534 1.00 0.00 C ATOM 667 O LYS A 49 0.969 -17.342 3.089 1.00 0.00 O ATOM 668 CB LYS A 49 2.649 -18.116 0.930 1.00 0.00 C ATOM 669 CG LYS A 49 2.249 -18.554 -0.480 1.00 0.00 C ATOM 670 CD LYS A 49 1.095 -19.557 -0.436 1.00 0.00 C ATOM 671 CE LYS A 49 0.437 -19.697 -1.810 1.00 0.00 C ATOM 672 NZ LYS A 49 -0.824 -20.465 -1.706 1.00 0.00 N ATOM 0 H LYS A 49 3.561 -15.376 0.158 1.00 0.00 H new ATOM 0 HA LYS A 49 1.530 -16.409 0.412 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.724 -18.236 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.165 -18.759 1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.956 -17.683 -1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.106 -19.002 -0.982 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.465 -20.528 -0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.354 -19.232 0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.235 -18.710 -2.225 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.119 -20.198 -2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.257 -20.550 -2.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.623 -21.414 -1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.479 -19.971 -1.067 1.00 0.00 H new ATOM 686 N MET A 50 1.706 -15.205 3.024 1.00 0.00 N ATOM 687 CA MET A 50 1.111 -14.844 4.300 1.00 0.00 C ATOM 688 C MET A 50 0.316 -13.542 4.186 1.00 0.00 C ATOM 689 O MET A 50 0.549 -12.746 3.277 1.00 0.00 O ATOM 690 CB MET A 50 2.213 -14.679 5.349 1.00 0.00 C ATOM 691 CG MET A 50 2.553 -16.020 6.002 1.00 0.00 C ATOM 692 SD MET A 50 2.724 -15.813 7.767 1.00 0.00 S ATOM 693 CE MET A 50 2.969 -17.512 8.256 1.00 0.00 C ATOM 0 H MET A 50 2.213 -14.451 2.561 1.00 0.00 H new ATOM 0 HA MET A 50 0.428 -15.639 4.599 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.105 -14.261 4.882 1.00 0.00 H new ATOM 0 HB3 MET A 50 1.891 -13.970 6.112 1.00 0.00 H new ATOM 0 HG2 MET A 50 1.770 -16.747 5.787 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.479 -16.414 5.582 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.094 -17.565 9.338 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.102 -18.104 7.961 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.860 -17.906 7.768 1.00 0.00 H new ATOM 703 N GLU A 51 -0.607 -13.365 5.120 1.00 0.00 N ATOM 704 CA GLU A 51 -1.438 -12.174 5.135 1.00 0.00 C ATOM 705 C GLU A 51 -0.873 -11.146 6.118 1.00 0.00 C ATOM 706 O GLU A 51 -0.444 -11.500 7.214 1.00 0.00 O ATOM 707 CB GLU A 51 -2.888 -12.521 5.478 1.00 0.00 C ATOM 708 CG GLU A 51 -3.589 -11.341 6.155 1.00 0.00 C ATOM 709 CD GLU A 51 -5.053 -11.671 6.454 1.00 0.00 C ATOM 710 OE1 GLU A 51 -5.833 -11.721 5.478 1.00 0.00 O ATOM 711 OE2 GLU A 51 -5.358 -11.865 7.650 1.00 0.00 O ATOM 0 H GLU A 51 -0.797 -14.027 5.872 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.431 -11.737 4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.425 -12.795 4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.912 -13.389 6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.073 -11.090 7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.535 -10.463 5.511 1.00 0.00 H new ATOM 718 N HIS A 52 -0.893 -9.892 5.690 1.00 0.00 N ATOM 719 CA HIS A 52 -0.388 -8.810 6.518 1.00 0.00 C ATOM 720 C HIS A 52 -1.420 -7.682 6.574 1.00 0.00 C ATOM 721 O HIS A 52 -2.183 -7.487 5.629 1.00 0.00 O ATOM 722 CB HIS A 52 0.980 -8.338 6.021 1.00 0.00 C ATOM 723 CG HIS A 52 1.807 -9.424 5.375 1.00 0.00 C ATOM 724 ND1 HIS A 52 2.119 -10.610 6.015 1.00 0.00 N ATOM 725 CD2 HIS A 52 2.381 -9.490 4.139 1.00 0.00 C ATOM 726 CE1 HIS A 52 2.849 -11.350 5.193 1.00 0.00 C ATOM 727 NE2 HIS A 52 3.011 -10.653 4.032 1.00 0.00 N ATOM 0 H HIS A 52 -1.251 -9.601 4.780 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.236 -9.167 7.536 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.836 -7.530 5.304 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.537 -7.923 6.861 1.00 0.00 H new ATOM 0 HD1 HIS A 52 1.835 -10.871 6.959 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.331 -8.726 3.377 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.246 -12.332 5.405 1.00 0.00 H new ATOM 735 N THR A 53 -1.410 -6.969 7.690 1.00 0.00 N ATOM 736 CA THR A 53 -2.336 -5.866 7.882 1.00 0.00 C ATOM 737 C THR A 53 -1.608 -4.528 7.737 1.00 0.00 C ATOM 738 O THR A 53 -0.785 -4.171 8.578 1.00 0.00 O ATOM 739 CB THR A 53 -3.012 -6.046 9.243 1.00 0.00 C ATOM 740 OG1 THR A 53 -3.842 -7.191 9.069 1.00 0.00 O ATOM 741 CG2 THR A 53 -3.995 -4.918 9.563 1.00 0.00 C ATOM 0 H THR A 53 -0.775 -7.134 8.471 1.00 0.00 H new ATOM 0 HA THR A 53 -3.112 -5.863 7.116 1.00 0.00 H new ATOM 0 HB THR A 53 -2.251 -6.096 10.022 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.317 -7.381 9.905 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.446 -5.095 10.539 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.465 -3.966 9.575 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.775 -4.889 8.802 1.00 0.00 H new ATOM 749 N ILE A 54 -1.939 -3.824 6.665 1.00 0.00 N ATOM 750 CA ILE A 54 -1.327 -2.533 6.399 1.00 0.00 C ATOM 751 C ILE A 54 -1.860 -1.505 7.400 1.00 0.00 C ATOM 752 O ILE A 54 -2.936 -0.943 7.204 1.00 0.00 O ATOM 753 CB ILE A 54 -1.535 -2.132 4.937 1.00 0.00 C ATOM 754 CG1 ILE A 54 -1.283 -3.317 4.003 1.00 0.00 C ATOM 755 CG2 ILE A 54 -0.673 -0.922 4.572 1.00 0.00 C ATOM 756 CD1 ILE A 54 0.036 -4.013 4.343 1.00 0.00 C ATOM 0 H ILE A 54 -2.623 -4.123 5.970 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.248 -2.587 6.540 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.576 -1.836 4.809 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.105 -4.029 4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.260 -2.971 2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.840 -0.658 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.943 -0.078 5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.379 -1.166 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.190 -4.852 3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.858 -3.305 4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.000 -4.379 5.369 1.00 0.00 H new ATOM 768 N LYS A 55 -1.081 -1.291 8.450 1.00 0.00 N ATOM 769 CA LYS A 55 -1.461 -0.341 9.482 1.00 0.00 C ATOM 770 C LYS A 55 -1.162 1.079 8.997 1.00 0.00 C ATOM 771 O LYS A 55 -0.093 1.338 8.446 1.00 0.00 O ATOM 772 CB LYS A 55 -0.786 -0.693 10.809 1.00 0.00 C ATOM 773 CG LYS A 55 -1.388 -1.964 11.411 1.00 0.00 C ATOM 774 CD LYS A 55 -2.175 -1.649 12.684 1.00 0.00 C ATOM 775 CE LYS A 55 -3.270 -2.690 12.924 1.00 0.00 C ATOM 776 NZ LYS A 55 -4.539 -2.030 13.302 1.00 0.00 N ATOM 0 H LYS A 55 -0.189 -1.759 8.608 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.533 -0.394 9.673 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.283 -0.833 10.651 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.900 0.134 11.509 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.044 -2.440 10.682 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.593 -2.675 11.637 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.498 -1.625 13.538 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.622 -0.658 12.604 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.417 -3.286 12.023 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.961 -3.376 13.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.912 -2.466 14.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.368 -1.018 13.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.231 -2.142 12.534 1.00 0.00 H new ATOM 790 N SER A 56 -2.125 1.961 9.219 1.00 0.00 N ATOM 791 CA SER A 56 -1.978 3.348 8.812 1.00 0.00 C ATOM 792 C SER A 56 -0.799 3.987 9.547 1.00 0.00 C ATOM 793 O SER A 56 -0.565 3.700 10.720 1.00 0.00 O ATOM 794 CB SER A 56 -3.261 4.139 9.077 1.00 0.00 C ATOM 795 OG SER A 56 -3.343 5.310 8.269 1.00 0.00 O ATOM 0 H SER A 56 -3.010 1.742 9.676 1.00 0.00 H new ATOM 0 HA SER A 56 -1.784 3.371 7.740 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.125 3.504 8.883 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.302 4.421 10.129 1.00 0.00 H new ATOM 0 HG SER A 56 -3.164 6.101 8.820 1.00 0.00 H new ATOM 801 N PRO A 57 -0.069 4.865 8.809 1.00 0.00 N ATOM 802 CA PRO A 57 1.081 5.548 9.378 1.00 0.00 C ATOM 803 C PRO A 57 0.640 6.662 10.330 1.00 0.00 C ATOM 804 O PRO A 57 1.315 6.939 11.321 1.00 0.00 O ATOM 805 CB PRO A 57 1.864 6.063 8.183 1.00 0.00 C ATOM 806 CG PRO A 57 0.893 6.057 7.013 1.00 0.00 C ATOM 807 CD PRO A 57 -0.316 5.230 7.417 1.00 0.00 C ATOM 0 HA PRO A 57 1.701 4.892 9.989 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.245 7.067 8.369 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.726 5.428 7.978 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.593 7.074 6.760 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.366 5.635 6.126 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.238 5.802 7.316 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.418 4.346 6.788 1.00 0.00 H new ATOM 815 N LYS A 58 -0.488 7.270 9.997 1.00 0.00 N ATOM 816 CA LYS A 58 -1.027 8.347 10.809 1.00 0.00 C ATOM 817 C LYS A 58 -2.491 8.582 10.432 1.00 0.00 C ATOM 818 O LYS A 58 -2.971 8.052 9.431 1.00 0.00 O ATOM 819 CB LYS A 58 -0.153 9.597 10.689 1.00 0.00 C ATOM 820 CG LYS A 58 -0.131 10.115 9.249 1.00 0.00 C ATOM 821 CD LYS A 58 -0.315 11.634 9.210 1.00 0.00 C ATOM 822 CE LYS A 58 -0.569 12.119 7.782 1.00 0.00 C ATOM 823 NZ LYS A 58 -0.761 13.586 7.759 1.00 0.00 N ATOM 0 H LYS A 58 -1.045 7.037 9.175 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.010 8.073 11.864 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.531 10.374 11.353 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.862 9.368 11.012 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.814 9.847 8.777 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.922 9.634 8.674 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.151 11.919 9.849 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.573 12.122 9.611 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.272 11.846 7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.451 11.624 7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.932 13.898 6.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.578 13.839 8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.092 14.054 8.127 1.00 0.00 H new ATOM 837 N ASP A 59 -3.160 9.378 11.254 1.00 0.00 N ATOM 838 CA ASP A 59 -4.560 9.689 11.019 1.00 0.00 C ATOM 839 C ASP A 59 -4.663 10.764 9.936 1.00 0.00 C ATOM 840 O ASP A 59 -3.800 11.634 9.835 1.00 0.00 O ATOM 841 CB ASP A 59 -5.224 10.230 12.287 1.00 0.00 C ATOM 842 CG ASP A 59 -4.352 11.170 13.123 1.00 0.00 C ATOM 843 OD1 ASP A 59 -3.439 11.778 12.525 1.00 0.00 O ATOM 844 OD2 ASP A 59 -4.620 11.258 14.341 1.00 0.00 O ATOM 0 H ASP A 59 -2.759 9.817 12.083 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.063 8.772 10.712 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.135 10.758 12.005 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.524 9.387 12.910 1.00 0.00 H new ATOM 849 N GLY A 60 -5.728 10.669 9.153 1.00 0.00 N ATOM 850 CA GLY A 60 -5.956 11.623 8.081 1.00 0.00 C ATOM 851 C GLY A 60 -7.152 11.207 7.222 1.00 0.00 C ATOM 852 O GLY A 60 -7.872 10.271 7.565 1.00 0.00 O ATOM 0 H GLY A 60 -6.442 9.946 9.240 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.133 12.613 8.502 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.064 11.696 7.458 1.00 0.00 H new ATOM 856 N THR A 61 -7.326 11.923 6.121 1.00 0.00 N ATOM 857 CA THR A 61 -8.423 11.640 5.210 1.00 0.00 C ATOM 858 C THR A 61 -7.886 11.122 3.874 1.00 0.00 C ATOM 859 O THR A 61 -7.392 11.897 3.057 1.00 0.00 O ATOM 860 CB THR A 61 -9.265 12.910 5.074 1.00 0.00 C ATOM 861 OG1 THR A 61 -9.820 13.099 6.373 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.485 12.710 4.173 1.00 0.00 C ATOM 0 H THR A 61 -6.726 12.698 5.839 1.00 0.00 H new ATOM 0 HA THR A 61 -9.064 10.848 5.597 1.00 0.00 H new ATOM 0 HB THR A 61 -8.647 13.714 4.675 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.380 13.903 6.376 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.048 13.641 4.111 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.157 12.417 3.176 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.121 11.929 4.590 1.00 0.00 H new ATOM 870 N VAL A 62 -8.001 9.814 3.694 1.00 0.00 N ATOM 871 CA VAL A 62 -7.533 9.183 2.472 1.00 0.00 C ATOM 872 C VAL A 62 -7.944 10.039 1.272 1.00 0.00 C ATOM 873 O VAL A 62 -9.132 10.243 1.028 1.00 0.00 O ATOM 874 CB VAL A 62 -8.058 7.748 2.390 1.00 0.00 C ATOM 875 CG1 VAL A 62 -7.727 7.120 1.034 1.00 0.00 C ATOM 876 CG2 VAL A 62 -7.509 6.897 3.537 1.00 0.00 C ATOM 0 H VAL A 62 -8.412 9.174 4.374 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.445 9.118 2.468 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.143 7.782 2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.111 6.100 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.188 7.707 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.646 7.105 0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.898 5.882 3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.421 6.874 3.484 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.817 7.328 4.490 1.00 0.00 H new ATOM 886 N LYS A 63 -6.938 10.517 0.554 1.00 0.00 N ATOM 887 CA LYS A 63 -7.179 11.346 -0.614 1.00 0.00 C ATOM 888 C LYS A 63 -7.633 10.461 -1.777 1.00 0.00 C ATOM 889 O LYS A 63 -8.709 10.668 -2.336 1.00 0.00 O ATOM 890 CB LYS A 63 -5.947 12.195 -0.932 1.00 0.00 C ATOM 891 CG LYS A 63 -6.307 13.358 -1.859 1.00 0.00 C ATOM 892 CD LYS A 63 -5.115 14.298 -2.049 1.00 0.00 C ATOM 893 CE LYS A 63 -5.353 15.258 -3.216 1.00 0.00 C ATOM 894 NZ LYS A 63 -4.366 15.020 -4.293 1.00 0.00 N ATOM 0 H LYS A 63 -5.954 10.346 0.759 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.984 12.055 -0.419 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.519 12.582 -0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.184 11.574 -1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.627 12.971 -2.826 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.149 13.912 -1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.947 14.867 -1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.213 13.714 -2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.363 15.125 -3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.279 16.288 -2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.542 15.680 -5.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.406 15.170 -3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.456 14.042 -4.636 1.00 0.00 H new ATOM 908 N LYS A 64 -6.789 9.494 -2.108 1.00 0.00 N ATOM 909 CA LYS A 64 -7.090 8.577 -3.194 1.00 0.00 C ATOM 910 C LYS A 64 -6.199 7.339 -3.072 1.00 0.00 C ATOM 911 O LYS A 64 -5.026 7.446 -2.718 1.00 0.00 O ATOM 912 CB LYS A 64 -6.972 9.289 -4.543 1.00 0.00 C ATOM 913 CG LYS A 64 -7.053 8.289 -5.699 1.00 0.00 C ATOM 914 CD LYS A 64 -5.739 8.249 -6.482 1.00 0.00 C ATOM 915 CE LYS A 64 -5.758 7.132 -7.528 1.00 0.00 C ATOM 916 NZ LYS A 64 -5.163 7.601 -8.798 1.00 0.00 N ATOM 0 H LYS A 64 -5.897 9.326 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.123 8.234 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.768 10.027 -4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.027 9.831 -4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.279 7.296 -5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.870 8.564 -6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.574 9.208 -6.972 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.907 8.095 -5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.205 6.269 -7.157 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.783 6.804 -7.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.184 6.831 -9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.708 8.410 -9.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.178 7.892 -8.633 1.00 0.00 H new ATOM 930 N VAL A 65 -6.791 6.192 -3.371 1.00 0.00 N ATOM 931 CA VAL A 65 -6.066 4.935 -3.299 1.00 0.00 C ATOM 932 C VAL A 65 -5.419 4.646 -4.655 1.00 0.00 C ATOM 933 O VAL A 65 -6.038 4.850 -5.698 1.00 0.00 O ATOM 934 CB VAL A 65 -7.001 3.817 -2.833 1.00 0.00 C ATOM 935 CG1 VAL A 65 -6.207 2.593 -2.374 1.00 0.00 C ATOM 936 CG2 VAL A 65 -7.937 4.311 -1.727 1.00 0.00 C ATOM 0 H VAL A 65 -7.764 6.107 -3.664 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.265 4.998 -2.563 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.615 3.518 -3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.896 1.814 -2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.603 2.220 -3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.556 2.871 -1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.591 3.497 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.347 4.651 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.540 5.137 -2.103 1.00 0.00 H new ATOM 946 N PHE A 66 -4.182 4.176 -4.596 1.00 0.00 N ATOM 947 CA PHE A 66 -3.444 3.857 -5.807 1.00 0.00 C ATOM 948 C PHE A 66 -3.474 2.353 -6.087 1.00 0.00 C ATOM 949 O PHE A 66 -3.319 1.928 -7.231 1.00 0.00 O ATOM 950 CB PHE A 66 -1.995 4.291 -5.575 1.00 0.00 C ATOM 951 CG PHE A 66 -1.807 5.807 -5.483 1.00 0.00 C ATOM 952 CD1 PHE A 66 -2.361 6.619 -6.423 1.00 0.00 C ATOM 953 CD2 PHE A 66 -1.084 6.342 -4.463 1.00 0.00 C ATOM 954 CE1 PHE A 66 -2.187 8.025 -6.338 1.00 0.00 C ATOM 955 CE2 PHE A 66 -0.909 7.748 -4.378 1.00 0.00 C ATOM 956 CZ PHE A 66 -1.464 8.561 -5.317 1.00 0.00 C ATOM 0 H PHE A 66 -3.672 4.008 -3.729 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.891 4.368 -6.660 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.632 3.834 -4.654 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.377 3.907 -6.387 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.933 6.194 -7.234 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.643 5.697 -3.718 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.628 8.670 -7.084 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.335 8.173 -3.568 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.331 9.631 -5.252 1.00 0.00 H new ATOM 966 N TYR A 67 -3.676 1.589 -5.024 1.00 0.00 N ATOM 967 CA TYR A 67 -3.729 0.142 -5.141 1.00 0.00 C ATOM 968 C TYR A 67 -5.078 -0.398 -4.662 1.00 0.00 C ATOM 969 O TYR A 67 -5.663 0.132 -3.719 1.00 0.00 O ATOM 970 CB TYR A 67 -2.624 -0.396 -4.229 1.00 0.00 C ATOM 971 CG TYR A 67 -1.221 -0.304 -4.830 1.00 0.00 C ATOM 972 CD1 TYR A 67 -0.479 0.850 -4.677 1.00 0.00 C ATOM 973 CD2 TYR A 67 -0.696 -1.374 -5.526 1.00 0.00 C ATOM 974 CE1 TYR A 67 0.843 0.937 -5.243 1.00 0.00 C ATOM 975 CE2 TYR A 67 0.625 -1.287 -6.092 1.00 0.00 C ATOM 976 CZ TYR A 67 1.329 -0.136 -5.923 1.00 0.00 C ATOM 977 OH TYR A 67 2.577 -0.054 -6.457 1.00 0.00 O ATOM 0 H TYR A 67 -3.805 1.945 -4.077 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.600 -0.164 -6.179 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.642 0.156 -3.289 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.839 -1.438 -3.991 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.890 1.688 -4.133 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.276 -2.277 -5.646 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.434 1.834 -5.130 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.047 -2.117 -6.639 1.00 0.00 H new ATOM 0 HH TYR A 67 2.793 -0.894 -6.913 1.00 0.00 H new ATOM 987 N ARG A 68 -5.532 -1.446 -5.334 1.00 0.00 N ATOM 988 CA ARG A 68 -6.801 -2.064 -4.989 1.00 0.00 C ATOM 989 C ARG A 68 -6.621 -3.570 -4.788 1.00 0.00 C ATOM 990 O ARG A 68 -5.512 -4.088 -4.909 1.00 0.00 O ATOM 991 CB ARG A 68 -7.846 -1.823 -6.080 1.00 0.00 C ATOM 992 CG ARG A 68 -8.072 -0.326 -6.303 1.00 0.00 C ATOM 993 CD ARG A 68 -9.509 0.069 -5.957 1.00 0.00 C ATOM 994 NE ARG A 68 -9.868 1.328 -6.646 1.00 0.00 N ATOM 995 CZ ARG A 68 -10.981 2.031 -6.395 1.00 0.00 C ATOM 996 NH1 ARG A 68 -11.849 1.602 -5.469 1.00 0.00 N ATOM 997 NH2 ARG A 68 -11.225 3.163 -7.070 1.00 0.00 N ATOM 0 H ARG A 68 -5.044 -1.883 -6.116 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.150 -1.610 -4.062 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.519 -2.287 -7.010 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.786 -2.298 -5.799 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.376 0.246 -5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.862 -0.074 -7.342 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.194 -0.725 -6.253 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.611 0.193 -4.879 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.228 1.683 -7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.663 0.741 -4.955 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.696 2.137 -5.278 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.564 3.489 -7.775 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.072 3.698 -6.879 1.00 0.00 H new ATOM 1011 N GLU A 69 -7.729 -4.230 -4.484 1.00 0.00 N ATOM 1012 CA GLU A 69 -7.707 -5.666 -4.265 1.00 0.00 C ATOM 1013 C GLU A 69 -7.121 -6.381 -5.484 1.00 0.00 C ATOM 1014 O GLU A 69 -7.549 -6.143 -6.613 1.00 0.00 O ATOM 1015 CB GLU A 69 -9.107 -6.193 -3.941 1.00 0.00 C ATOM 1016 CG GLU A 69 -9.737 -5.405 -2.791 1.00 0.00 C ATOM 1017 CD GLU A 69 -11.207 -5.095 -3.079 1.00 0.00 C ATOM 1018 OE1 GLU A 69 -11.448 -4.106 -3.805 1.00 0.00 O ATOM 1019 OE2 GLU A 69 -12.058 -5.855 -2.566 1.00 0.00 O ATOM 0 H GLU A 69 -8.647 -3.797 -4.384 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.069 -5.872 -3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.740 -6.121 -4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.050 -7.248 -3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.657 -5.977 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.189 -4.475 -2.639 1.00 0.00 H new ATOM 1026 N GLY A 70 -6.151 -7.242 -5.216 1.00 0.00 N ATOM 1027 CA GLY A 70 -5.501 -7.992 -6.278 1.00 0.00 C ATOM 1028 C GLY A 70 -4.575 -7.092 -7.098 1.00 0.00 C ATOM 1029 O GLY A 70 -4.595 -7.130 -8.327 1.00 0.00 O ATOM 0 H GLY A 70 -5.799 -7.437 -4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.928 -8.814 -5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.255 -8.434 -6.930 1.00 0.00 H new ATOM 1033 N ALA A 71 -3.784 -6.304 -6.384 1.00 0.00 N ATOM 1034 CA ALA A 71 -2.852 -5.397 -7.030 1.00 0.00 C ATOM 1035 C ALA A 71 -1.423 -5.773 -6.634 1.00 0.00 C ATOM 1036 O ALA A 71 -1.162 -6.106 -5.478 1.00 0.00 O ATOM 1037 CB ALA A 71 -3.200 -3.955 -6.655 1.00 0.00 C ATOM 0 H ALA A 71 -3.770 -6.275 -5.364 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.926 -5.479 -8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.500 -3.274 -7.140 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.214 -3.728 -6.984 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.134 -3.834 -5.574 1.00 0.00 H new ATOM 1043 N GLN A 72 -0.534 -5.707 -7.614 1.00 0.00 N ATOM 1044 CA GLN A 72 0.862 -6.037 -7.382 1.00 0.00 C ATOM 1045 C GLN A 72 1.635 -4.792 -6.942 1.00 0.00 C ATOM 1046 O GLN A 72 1.829 -3.866 -7.728 1.00 0.00 O ATOM 1047 CB GLN A 72 1.493 -6.662 -8.628 1.00 0.00 C ATOM 1048 CG GLN A 72 3.020 -6.635 -8.542 1.00 0.00 C ATOM 1049 CD GLN A 72 3.617 -7.980 -8.962 1.00 0.00 C ATOM 1050 OE1 GLN A 72 2.942 -8.850 -9.488 1.00 0.00 O ATOM 1051 NE2 GLN A 72 4.915 -8.100 -8.702 1.00 0.00 N ATOM 0 H GLN A 72 -0.753 -5.430 -8.571 1.00 0.00 H new ATOM 0 HA GLN A 72 0.912 -6.775 -6.581 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.150 -7.691 -8.737 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.166 -6.121 -9.516 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.410 -5.844 -9.183 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.326 -6.400 -7.523 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.420 -7.332 -8.259 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.406 -8.960 -8.945 1.00 0.00 H new ATOM 1060 N ALA A 73 2.057 -4.810 -5.686 1.00 0.00 N ATOM 1061 CA ALA A 73 2.805 -3.694 -5.131 1.00 0.00 C ATOM 1062 C ALA A 73 4.277 -4.088 -4.999 1.00 0.00 C ATOM 1063 O ALA A 73 4.616 -5.269 -5.065 1.00 0.00 O ATOM 1064 CB ALA A 73 2.189 -3.281 -3.793 1.00 0.00 C ATOM 0 H ALA A 73 1.895 -5.580 -5.037 1.00 0.00 H new ATOM 0 HA ALA A 73 2.753 -2.830 -5.793 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.750 -2.444 -3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.152 -2.982 -3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.225 -4.122 -3.101 1.00 0.00 H new ATOM 1070 N ASN A 74 5.113 -3.077 -4.814 1.00 0.00 N ATOM 1071 CA ASN A 74 6.541 -3.303 -4.672 1.00 0.00 C ATOM 1072 C ASN A 74 6.996 -2.814 -3.295 1.00 0.00 C ATOM 1073 O ASN A 74 6.239 -2.154 -2.586 1.00 0.00 O ATOM 1074 CB ASN A 74 7.330 -2.531 -5.732 1.00 0.00 C ATOM 1075 CG ASN A 74 8.202 -3.475 -6.562 1.00 0.00 C ATOM 1076 OD1 ASN A 74 7.779 -4.037 -7.559 1.00 0.00 O ATOM 1077 ND2 ASN A 74 9.440 -3.616 -6.097 1.00 0.00 N ATOM 0 H ASN A 74 4.829 -2.099 -4.759 1.00 0.00 H new ATOM 0 HA ASN A 74 6.726 -4.370 -4.791 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.641 -1.997 -6.386 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.957 -1.781 -5.249 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.100 -4.224 -6.581 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.729 -3.116 -5.256 1.00 0.00 H new ATOM 1084 N ARG A 75 8.230 -3.158 -2.959 1.00 0.00 N ATOM 1085 CA ARG A 75 8.795 -2.763 -1.680 1.00 0.00 C ATOM 1086 C ARG A 75 8.975 -1.244 -1.626 1.00 0.00 C ATOM 1087 O ARG A 75 9.632 -0.662 -2.488 1.00 0.00 O ATOM 1088 CB ARG A 75 10.147 -3.438 -1.442 1.00 0.00 C ATOM 1089 CG ARG A 75 10.076 -4.934 -1.758 1.00 0.00 C ATOM 1090 CD ARG A 75 11.320 -5.662 -1.245 1.00 0.00 C ATOM 1091 NE ARG A 75 12.305 -5.812 -2.339 1.00 0.00 N ATOM 1092 CZ ARG A 75 13.484 -6.435 -2.208 1.00 0.00 C ATOM 1093 NH1 ARG A 75 13.832 -6.970 -1.030 1.00 0.00 N ATOM 1094 NH2 ARG A 75 14.316 -6.522 -3.255 1.00 0.00 N ATOM 0 H ARG A 75 8.855 -3.706 -3.550 1.00 0.00 H new ATOM 0 HA ARG A 75 8.102 -3.079 -0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.907 -2.967 -2.065 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.451 -3.296 -0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.184 -5.364 -1.301 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.984 -5.078 -2.835 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.763 -5.105 -0.419 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.044 -6.642 -0.856 1.00 0.00 H new ATOM 0 HE ARG A 75 12.072 -5.416 -3.250 1.00 0.00 H new ATOM 0 HH11 ARG A 75 13.199 -6.903 -0.233 1.00 0.00 H new ATOM 0 HH12 ARG A 75 14.730 -7.444 -0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.052 -6.114 -4.152 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.214 -6.996 -3.155 1.00 0.00 H new ATOM 1108 N HIS A 76 8.380 -0.646 -0.604 1.00 0.00 N ATOM 1109 CA HIS A 76 8.466 0.794 -0.427 1.00 0.00 C ATOM 1110 C HIS A 76 7.717 1.497 -1.561 1.00 0.00 C ATOM 1111 O HIS A 76 8.320 2.217 -2.355 1.00 0.00 O ATOM 1112 CB HIS A 76 9.925 1.241 -0.313 1.00 0.00 C ATOM 1113 CG HIS A 76 10.502 1.108 1.076 1.00 0.00 C ATOM 1114 ND1 HIS A 76 10.851 2.200 1.851 1.00 0.00 N ATOM 1115 CD2 HIS A 76 10.786 0.001 1.821 1.00 0.00 C ATOM 1116 CE1 HIS A 76 11.323 1.759 3.007 1.00 0.00 C ATOM 1117 NE2 HIS A 76 11.283 0.396 2.987 1.00 0.00 N ATOM 0 H HIS A 76 7.837 -1.132 0.110 1.00 0.00 H new ATOM 0 HA HIS A 76 7.985 1.078 0.509 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.529 0.653 -1.004 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.001 2.281 -0.629 1.00 0.00 H new ATOM 0 HD2 HIS A 76 10.633 -1.023 1.514 1.00 0.00 H new ATOM 0 HE1 HIS A 76 11.678 2.372 3.823 1.00 0.00 H new ATOM 0 HE2 HIS A 76 11.585 -0.218 3.743 1.00 0.00 H new ATOM 1125 N THR A 77 6.414 1.263 -1.600 1.00 0.00 N ATOM 1126 CA THR A 77 5.576 1.864 -2.624 1.00 0.00 C ATOM 1127 C THR A 77 4.375 2.565 -1.986 1.00 0.00 C ATOM 1128 O THR A 77 3.925 2.177 -0.909 1.00 0.00 O ATOM 1129 CB THR A 77 5.184 0.769 -3.617 1.00 0.00 C ATOM 1130 OG1 THR A 77 4.752 -0.309 -2.792 1.00 0.00 O ATOM 1131 CG2 THR A 77 6.389 0.203 -4.371 1.00 0.00 C ATOM 0 H THR A 77 5.918 0.665 -0.939 1.00 0.00 H new ATOM 0 HA THR A 77 6.113 2.640 -3.170 1.00 0.00 H new ATOM 0 HB THR A 77 4.464 1.168 -4.332 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.525 -0.853 -2.534 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.055 -0.570 -5.063 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.877 1.002 -4.929 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.094 -0.226 -3.660 1.00 0.00 H new ATOM 1139 N PRO A 78 3.877 3.612 -2.696 1.00 0.00 N ATOM 1140 CA PRO A 78 2.736 4.371 -2.210 1.00 0.00 C ATOM 1141 C PRO A 78 1.437 3.584 -2.393 1.00 0.00 C ATOM 1142 O PRO A 78 1.042 3.284 -3.518 1.00 0.00 O ATOM 1143 CB PRO A 78 2.761 5.668 -3.002 1.00 0.00 C ATOM 1144 CG PRO A 78 3.630 5.397 -4.219 1.00 0.00 C ATOM 1145 CD PRO A 78 4.384 4.100 -3.975 1.00 0.00 C ATOM 0 HA PRO A 78 2.789 4.572 -1.140 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.755 5.964 -3.299 1.00 0.00 H new ATOM 0 HB3 PRO A 78 3.169 6.483 -2.404 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.016 5.318 -5.116 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.327 6.219 -4.381 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.203 3.380 -4.773 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.460 4.269 -3.936 1.00 0.00 H new ATOM 1153 N LEU A 79 0.808 3.273 -1.269 1.00 0.00 N ATOM 1154 CA LEU A 79 -0.439 2.527 -1.290 1.00 0.00 C ATOM 1155 C LEU A 79 -1.612 3.505 -1.370 1.00 0.00 C ATOM 1156 O LEU A 79 -2.479 3.372 -2.232 1.00 0.00 O ATOM 1157 CB LEU A 79 -0.513 1.573 -0.097 1.00 0.00 C ATOM 1158 CG LEU A 79 0.657 0.599 0.058 1.00 0.00 C ATOM 1159 CD1 LEU A 79 0.580 -0.144 1.393 1.00 0.00 C ATOM 1160 CD2 LEU A 79 0.730 -0.363 -1.130 1.00 0.00 C ATOM 0 H LEU A 79 1.139 3.524 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.490 1.895 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.588 2.167 0.814 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.433 0.994 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 79 1.582 1.175 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.423 -0.829 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.614 0.575 2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.352 -0.707 1.443 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.570 -1.045 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.195 -0.935 -1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.868 0.205 -2.050 1.00 0.00 H new ATOM 1172 N VAL A 80 -1.602 4.467 -0.458 1.00 0.00 N ATOM 1173 CA VAL A 80 -2.655 5.467 -0.414 1.00 0.00 C ATOM 1174 C VAL A 80 -2.028 6.855 -0.268 1.00 0.00 C ATOM 1175 O VAL A 80 -0.853 6.976 0.078 1.00 0.00 O ATOM 1176 CB VAL A 80 -3.644 5.137 0.706 1.00 0.00 C ATOM 1177 CG1 VAL A 80 -4.622 4.045 0.269 1.00 0.00 C ATOM 1178 CG2 VAL A 80 -2.908 4.735 1.986 1.00 0.00 C ATOM 0 H VAL A 80 -0.881 4.575 0.256 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.224 5.463 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.221 6.037 0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.314 3.829 1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.182 4.385 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.068 3.141 0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.634 4.506 2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.294 3.856 1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.271 5.557 2.313 1.00 0.00 H new ATOM 1188 N GLU A 81 -2.839 7.867 -0.539 1.00 0.00 N ATOM 1189 CA GLU A 81 -2.378 9.242 -0.442 1.00 0.00 C ATOM 1190 C GLU A 81 -3.292 10.044 0.486 1.00 0.00 C ATOM 1191 O GLU A 81 -4.482 10.194 0.213 1.00 0.00 O ATOM 1192 CB GLU A 81 -2.294 9.891 -1.825 1.00 0.00 C ATOM 1193 CG GLU A 81 -1.258 11.017 -1.841 1.00 0.00 C ATOM 1194 CD GLU A 81 -0.189 10.762 -2.905 1.00 0.00 C ATOM 1195 OE1 GLU A 81 0.726 9.963 -2.611 1.00 0.00 O ATOM 1196 OE2 GLU A 81 -0.311 11.373 -3.989 1.00 0.00 O ATOM 0 H GLU A 81 -3.812 7.763 -0.826 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.374 9.239 -0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.030 9.139 -2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.270 10.286 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.752 11.968 -2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.789 11.098 -0.861 1.00 0.00 H new ATOM 1203 N PHE A 82 -2.701 10.539 1.564 1.00 0.00 N ATOM 1204 CA PHE A 82 -3.448 11.322 2.534 1.00 0.00 C ATOM 1205 C PHE A 82 -3.674 12.749 2.029 1.00 0.00 C ATOM 1206 O PHE A 82 -2.889 13.261 1.233 1.00 0.00 O ATOM 1207 CB PHE A 82 -2.607 11.373 3.810 1.00 0.00 C ATOM 1208 CG PHE A 82 -2.690 10.105 4.662 1.00 0.00 C ATOM 1209 CD1 PHE A 82 -3.798 9.861 5.412 1.00 0.00 C ATOM 1210 CD2 PHE A 82 -1.657 9.221 4.668 1.00 0.00 C ATOM 1211 CE1 PHE A 82 -3.875 8.684 6.203 1.00 0.00 C ATOM 1212 CE2 PHE A 82 -1.734 8.043 5.458 1.00 0.00 C ATOM 1213 CZ PHE A 82 -2.842 7.800 6.209 1.00 0.00 C ATOM 0 H PHE A 82 -1.714 10.413 1.787 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.423 10.868 2.707 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.566 11.549 3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.929 12.224 4.411 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.619 10.562 5.406 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.777 9.415 4.072 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.754 8.491 6.800 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.913 7.341 5.462 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.901 6.905 6.810 1.00 0.00 H new ATOM 1223 N GLU A 83 -4.752 13.350 2.512 1.00 0.00 N ATOM 1224 CA GLU A 83 -5.091 14.707 2.120 1.00 0.00 C ATOM 1225 C GLU A 83 -4.116 15.702 2.753 1.00 0.00 C ATOM 1226 O GLU A 83 -3.323 15.334 3.618 1.00 0.00 O ATOM 1227 CB GLU A 83 -6.536 15.041 2.496 1.00 0.00 C ATOM 1228 CG GLU A 83 -7.519 14.425 1.499 1.00 0.00 C ATOM 1229 CD GLU A 83 -7.805 15.388 0.345 1.00 0.00 C ATOM 1230 OE1 GLU A 83 -6.824 15.977 -0.159 1.00 0.00 O ATOM 1231 OE2 GLU A 83 -8.997 15.514 -0.008 1.00 0.00 O ATOM 0 H GLU A 83 -5.402 12.922 3.171 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.005 14.784 1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.749 14.670 3.499 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.668 16.123 2.521 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.110 13.494 1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.450 14.175 2.008 1.00 0.00 H new ATOM 1238 N GLU A 84 -4.207 16.942 2.296 1.00 0.00 N ATOM 1239 CA GLU A 84 -3.342 17.993 2.806 1.00 0.00 C ATOM 1240 C GLU A 84 -3.537 18.154 4.315 1.00 0.00 C ATOM 1241 O GLU A 84 -4.656 18.048 4.815 1.00 0.00 O ATOM 1242 CB GLU A 84 -3.595 19.314 2.076 1.00 0.00 C ATOM 1243 CG GLU A 84 -2.301 19.862 1.471 1.00 0.00 C ATOM 1244 CD GLU A 84 -2.596 20.762 0.270 1.00 0.00 C ATOM 1245 OE1 GLU A 84 -3.318 21.762 0.474 1.00 0.00 O ATOM 1246 OE2 GLU A 84 -2.093 20.430 -0.825 1.00 0.00 O ATOM 0 H GLU A 84 -4.866 17.243 1.578 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.307 17.707 2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.333 19.163 1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.014 20.043 2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.752 20.425 2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.661 19.035 1.162 1.00 0.00 H new ATOM 1253 N GLU A 85 -2.431 18.409 4.998 1.00 0.00 N ATOM 1254 CA GLU A 85 -2.465 18.586 6.440 1.00 0.00 C ATOM 1255 C GLU A 85 -3.149 19.908 6.796 1.00 0.00 C ATOM 1256 O GLU A 85 -3.214 20.819 5.972 1.00 0.00 O ATOM 1257 CB GLU A 85 -1.057 18.520 7.035 1.00 0.00 C ATOM 1258 CG GLU A 85 -0.273 19.797 6.730 1.00 0.00 C ATOM 1259 CD GLU A 85 0.233 20.450 8.018 1.00 0.00 C ATOM 1260 OE1 GLU A 85 -0.620 21.004 8.746 1.00 0.00 O ATOM 1261 OE2 GLU A 85 1.460 20.381 8.246 1.00 0.00 O ATOM 0 H GLU A 85 -1.505 18.497 4.579 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.045 17.771 6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.120 18.377 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.527 17.658 6.630 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.571 19.564 6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.908 20.498 6.188 1.00 0.00 H new ATOM 1268 N GLU A 86 -3.643 19.970 8.024 1.00 0.00 N ATOM 1269 CA GLU A 86 -4.319 21.165 8.499 1.00 0.00 C ATOM 1270 C GLU A 86 -3.574 21.756 9.698 1.00 0.00 C ATOM 1271 O GLU A 86 -3.703 21.265 10.818 1.00 0.00 O ATOM 1272 CB GLU A 86 -5.777 20.865 8.854 1.00 0.00 C ATOM 1273 CG GLU A 86 -6.733 21.630 7.936 1.00 0.00 C ATOM 1274 CD GLU A 86 -6.905 23.076 8.405 1.00 0.00 C ATOM 1275 OE1 GLU A 86 -7.384 23.249 9.547 1.00 0.00 O ATOM 1276 OE2 GLU A 86 -6.552 23.976 7.612 1.00 0.00 O ATOM 0 H GLU A 86 -3.588 19.212 8.704 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.318 21.902 7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.963 19.794 8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.966 21.139 9.892 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.350 21.618 6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.702 21.132 7.919 1.00 0.00 H new ATOM 1283 N SER A 87 -2.809 22.802 9.421 1.00 0.00 N ATOM 1284 CA SER A 87 -2.043 23.465 10.462 1.00 0.00 C ATOM 1285 C SER A 87 -2.944 24.423 11.245 1.00 0.00 C ATOM 1286 O SER A 87 -3.986 24.846 10.748 1.00 0.00 O ATOM 1287 CB SER A 87 -0.851 24.221 9.872 1.00 0.00 C ATOM 1288 OG SER A 87 0.325 24.062 10.661 1.00 0.00 O ATOM 0 H SER A 87 -2.703 23.206 8.491 1.00 0.00 H new ATOM 0 HA SER A 87 -1.657 22.704 11.140 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.660 23.864 8.860 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.096 25.280 9.795 1.00 0.00 H new ATOM 0 HG SER A 87 1.064 24.558 10.251 1.00 0.00 H new ATOM 1294 N ASP A 88 -2.508 24.736 12.457 1.00 0.00 N ATOM 1295 CA ASP A 88 -3.262 25.636 13.313 1.00 0.00 C ATOM 1296 C ASP A 88 -2.534 25.791 14.650 1.00 0.00 C ATOM 1297 O ASP A 88 -2.517 26.876 15.229 1.00 0.00 O ATOM 1298 CB ASP A 88 -4.660 25.083 13.598 1.00 0.00 C ATOM 1299 CG ASP A 88 -5.639 26.085 14.214 1.00 0.00 C ATOM 1300 OD1 ASP A 88 -5.211 27.241 14.423 1.00 0.00 O ATOM 1301 OD2 ASP A 88 -6.792 25.673 14.462 1.00 0.00 O ATOM 0 H ASP A 88 -1.643 24.383 12.866 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.350 26.594 12.800 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -5.084 24.710 12.666 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.567 24.229 14.269 1.00 0.00 H new ATOM 1306 N LYS A 89 -1.950 24.690 15.100 1.00 0.00 N ATOM 1307 CA LYS A 89 -1.222 24.690 16.357 1.00 0.00 C ATOM 1308 C LYS A 89 -2.188 25.007 17.501 1.00 0.00 C ATOM 1309 O LYS A 89 -2.870 26.030 17.476 1.00 0.00 O ATOM 1310 CB LYS A 89 -0.024 25.639 16.283 1.00 0.00 C ATOM 1311 CG LYS A 89 1.293 24.860 16.282 1.00 0.00 C ATOM 1312 CD LYS A 89 1.857 24.735 17.699 1.00 0.00 C ATOM 1313 CE LYS A 89 2.814 23.546 17.806 1.00 0.00 C ATOM 1314 NZ LYS A 89 4.042 23.934 18.535 1.00 0.00 N ATOM 0 H LYS A 89 -1.966 23.792 14.616 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.805 23.703 16.555 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.092 26.247 15.381 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.045 26.324 17.131 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.132 23.867 15.862 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.017 25.364 15.642 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.380 25.653 17.968 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.040 24.614 18.410 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.323 22.721 18.322 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.073 23.189 16.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.681 23.116 18.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.518 24.706 18.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.791 24.253 19.493 1.00 0.00 H new ATOM 1328 N ARG A 90 -2.214 24.111 18.477 1.00 0.00 N ATOM 1329 CA ARG A 90 -3.084 24.283 19.627 1.00 0.00 C ATOM 1330 C ARG A 90 -2.314 24.012 20.921 1.00 0.00 C ATOM 1331 O ARG A 90 -2.242 22.872 21.377 1.00 0.00 O ATOM 1332 CB ARG A 90 -4.289 23.342 19.552 1.00 0.00 C ATOM 1333 CG ARG A 90 -5.569 24.115 19.230 1.00 0.00 C ATOM 1334 CD ARG A 90 -6.501 24.162 20.442 1.00 0.00 C ATOM 1335 NE ARG A 90 -7.686 24.995 20.138 1.00 0.00 N ATOM 1336 CZ ARG A 90 -7.689 26.335 20.164 1.00 0.00 C ATOM 1337 NH1 ARG A 90 -6.570 27.002 20.481 1.00 0.00 N ATOM 1338 NH2 ARG A 90 -8.811 27.008 19.874 1.00 0.00 N ATOM 0 H ARG A 90 -1.646 23.264 18.495 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.441 25.313 19.621 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.116 22.584 18.788 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.405 22.818 20.501 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.317 25.129 18.921 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.081 23.644 18.391 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.815 23.153 20.709 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.971 24.570 21.303 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.555 24.520 19.893 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.716 26.490 20.702 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.572 28.022 20.501 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.662 26.500 19.634 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.814 28.028 19.894 1.00 0.00 H new ATOM 1352 N GLU A 91 -1.757 25.079 21.475 1.00 0.00 N ATOM 1353 CA GLU A 91 -0.995 24.970 22.707 1.00 0.00 C ATOM 1354 C GLU A 91 -0.563 26.357 23.188 1.00 0.00 C ATOM 1355 O GLU A 91 -0.205 27.214 22.381 1.00 0.00 O ATOM 1356 CB GLU A 91 0.215 24.051 22.525 1.00 0.00 C ATOM 1357 CG GLU A 91 0.923 23.805 23.858 1.00 0.00 C ATOM 1358 CD GLU A 91 1.445 22.370 23.945 1.00 0.00 C ATOM 1359 OE1 GLU A 91 0.601 21.452 23.854 1.00 0.00 O ATOM 1360 OE2 GLU A 91 2.676 22.222 24.101 1.00 0.00 O ATOM 0 H GLU A 91 -1.818 26.023 21.093 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.635 24.525 23.469 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.107 23.100 22.099 1.00 0.00 H new ATOM 0 HB3 GLU A 91 0.912 24.498 21.816 1.00 0.00 H new ATOM 0 HG2 GLU A 91 1.752 24.504 23.968 1.00 0.00 H new ATOM 0 HG3 GLU A 91 0.234 23.995 24.681 1.00 0.00 H new ATOM 1367 N SER A 92 -0.610 26.535 24.500 1.00 0.00 N ATOM 1368 CA SER A 92 -0.228 27.803 25.098 1.00 0.00 C ATOM 1369 C SER A 92 -0.186 27.672 26.622 1.00 0.00 C ATOM 1370 O SER A 92 -1.222 27.496 27.262 1.00 0.00 O ATOM 1371 CB SER A 92 -1.192 28.918 24.688 1.00 0.00 C ATOM 1372 OG SER A 92 -2.509 28.426 24.454 1.00 0.00 O ATOM 0 H SER A 92 -0.907 25.822 25.166 1.00 0.00 H new ATOM 0 HA SER A 92 0.765 28.066 24.735 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.222 29.677 25.470 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.821 29.404 23.786 1.00 0.00 H new ATOM 0 HG SER A 92 -3.094 29.168 24.196 1.00 0.00 H new ATOM 1378 N GLU A 93 1.022 27.762 27.159 1.00 0.00 N ATOM 1379 CA GLU A 93 1.212 27.656 28.595 1.00 0.00 C ATOM 1380 C GLU A 93 2.660 27.986 28.964 1.00 0.00 C ATOM 1381 O GLU A 93 3.521 27.108 28.960 1.00 0.00 O ATOM 1382 CB GLU A 93 0.821 26.265 29.098 1.00 0.00 C ATOM 1383 CG GLU A 93 -0.402 26.337 30.014 1.00 0.00 C ATOM 1384 CD GLU A 93 0.004 26.703 31.444 1.00 0.00 C ATOM 1385 OE1 GLU A 93 0.691 27.737 31.591 1.00 0.00 O ATOM 1386 OE2 GLU A 93 -0.383 25.941 32.356 1.00 0.00 O ATOM 0 H GLU A 93 1.879 27.907 26.625 1.00 0.00 H new ATOM 0 HA GLU A 93 0.559 28.380 29.083 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.607 25.615 28.250 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.658 25.821 29.637 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.105 27.077 29.631 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.918 25.377 30.013 1.00 0.00 H new ATOM 1393 N SER A 94 2.883 29.254 29.276 1.00 0.00 N ATOM 1394 CA SER A 94 4.211 29.711 29.647 1.00 0.00 C ATOM 1395 C SER A 94 4.163 31.184 30.058 1.00 0.00 C ATOM 1396 O SER A 94 3.216 31.894 29.722 1.00 0.00 O ATOM 1397 CB SER A 94 5.203 29.513 28.499 1.00 0.00 C ATOM 1398 OG SER A 94 6.213 28.562 28.824 1.00 0.00 O ATOM 0 H SER A 94 2.166 29.979 29.279 1.00 0.00 H new ATOM 0 HA SER A 94 4.552 29.115 30.494 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.667 29.183 27.609 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.669 30.467 28.254 1.00 0.00 H new ATOM 0 HG SER A 94 5.798 27.694 29.009 1.00 0.00 H new ATOM 1404 N GLY A 95 5.195 31.599 30.777 1.00 0.00 N ATOM 1405 CA GLY A 95 5.281 32.975 31.237 1.00 0.00 C ATOM 1406 C GLY A 95 6.696 33.305 31.716 1.00 0.00 C ATOM 1407 O GLY A 95 6.912 33.555 32.900 1.00 0.00 O ATOM 0 H GLY A 95 5.979 31.007 31.053 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.000 33.651 30.429 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.572 33.136 32.049 1.00 0.00 H new ATOM 1411 N PRO A 96 7.649 33.294 30.744 1.00 0.00 N ATOM 1412 CA PRO A 96 9.037 33.589 31.055 1.00 0.00 C ATOM 1413 C PRO A 96 9.241 35.088 31.286 1.00 0.00 C ATOM 1414 O PRO A 96 8.489 35.908 30.761 1.00 0.00 O ATOM 1415 CB PRO A 96 9.826 33.059 29.869 1.00 0.00 C ATOM 1416 CG PRO A 96 8.825 32.907 28.736 1.00 0.00 C ATOM 1417 CD PRO A 96 7.429 33.002 29.331 1.00 0.00 C ATOM 0 HA PRO A 96 9.370 33.120 31.981 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.626 33.746 29.594 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.294 32.104 30.107 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.975 33.685 27.988 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.961 31.950 28.232 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.846 33.787 28.850 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.878 32.071 29.200 1.00 0.00 H new ATOM 1425 N SER A 97 10.261 35.400 32.072 1.00 0.00 N ATOM 1426 CA SER A 97 10.573 36.785 32.379 1.00 0.00 C ATOM 1427 C SER A 97 11.845 36.860 33.226 1.00 0.00 C ATOM 1428 O SER A 97 11.807 36.620 34.432 1.00 0.00 O ATOM 1429 CB SER A 97 9.410 37.463 33.107 1.00 0.00 C ATOM 1430 OG SER A 97 8.578 38.200 32.215 1.00 0.00 O ATOM 0 H SER A 97 10.882 34.717 32.506 1.00 0.00 H new ATOM 0 HA SER A 97 10.737 37.314 31.441 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.813 36.708 33.619 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.802 38.132 33.873 1.00 0.00 H new ATOM 0 HG SER A 97 8.288 37.618 31.482 1.00 0.00 H new ATOM 1436 N SER A 98 12.941 37.193 32.561 1.00 0.00 N ATOM 1437 CA SER A 98 14.222 37.303 33.237 1.00 0.00 C ATOM 1438 C SER A 98 15.268 37.887 32.285 1.00 0.00 C ATOM 1439 O SER A 98 15.862 38.926 32.573 1.00 0.00 O ATOM 1440 CB SER A 98 14.685 35.943 33.763 1.00 0.00 C ATOM 1441 OG SER A 98 15.536 36.071 34.900 1.00 0.00 O ATOM 0 H SER A 98 12.968 37.390 31.561 1.00 0.00 H new ATOM 0 HA SER A 98 14.102 37.971 34.090 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.815 35.341 34.027 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.214 35.410 32.973 1.00 0.00 H new ATOM 0 HG SER A 98 15.808 35.181 35.207 1.00 0.00 H new ATOM 1447 N GLY A 99 15.461 37.196 31.172 1.00 0.00 N ATOM 1448 CA GLY A 99 16.425 37.633 30.177 1.00 0.00 C ATOM 1449 C GLY A 99 17.848 37.596 30.738 1.00 0.00 C ATOM 1450 O GLY A 99 18.216 36.658 31.444 1.00 0.00 O ATOM 0 H GLY A 99 14.966 36.336 30.937 1.00 0.00 H new ATOM 0 HA2 GLY A 99 16.360 36.993 29.297 1.00 0.00 H new ATOM 0 HA3 GLY A 99 16.184 38.645 29.853 1.00 0.00 H new TER 1454 GLY A 99