USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 816 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 30 GLN : amide:sc= -2.26 K(o=-5.7,f=-6.7!) USER MOD Set 1.2: A 32 ASN : amide:sc= -1.62 K(o=-5.7,f=-7) USER MOD Set 1.3: A 41 GLN : amide:sc= -1.8 K(o=-5.7,f=-9.5!) USER MOD Single : A 2 SER OG : rot 26:sc= 0.408 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 0.924 (180deg=0.921) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.865 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 58 SER OG : rot 58:sc= 0.615 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 70 MET CE :methyl 154:sc= -4.08! (180deg=-6.02!) USER MOD Single : A 74 SER OG : rot -120:sc= -0.21 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 53:sc= 0.055 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 65:sc= 0.928 USER MOD Single : A 100 LYS NZ :NH3+ 156:sc= -0.039 (180deg=-0.263) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 4.005 -1.715 -1.651 1.00 23.13 N ATOM 19 CA SER A 2 4.585 -2.959 -1.158 1.00 70.22 C ATOM 20 C SER A 2 4.144 -4.142 -2.014 1.00 60.42 C ATOM 21 O SER A 2 3.364 -3.987 -2.953 1.00 33.03 O ATOM 22 CB SER A 2 4.183 -3.191 0.300 1.00 14.01 C ATOM 23 OG SER A 2 4.181 -1.974 1.028 1.00 44.23 O ATOM 0 HA SER A 2 5.670 -2.874 -1.219 1.00 70.22 H new ATOM 0 HB2 SER A 2 3.192 -3.644 0.340 1.00 14.01 H new ATOM 0 HB3 SER A 2 4.874 -3.895 0.764 1.00 14.01 H new ATOM 0 HG SER A 2 4.019 -1.227 0.415 1.00 44.23 H new ATOM 29 N VAL A 3 4.649 -5.326 -1.681 1.00 5.10 N ATOM 30 CA VAL A 3 4.308 -6.537 -2.417 1.00 74.43 C ATOM 31 C VAL A 3 2.797 -6.707 -2.524 1.00 53.33 C ATOM 32 O VAL A 3 2.295 -7.296 -3.480 1.00 14.34 O ATOM 33 CB VAL A 3 4.909 -7.788 -1.750 1.00 11.31 C ATOM 34 CG1 VAL A 3 4.507 -9.043 -2.508 1.00 62.02 C ATOM 35 CG2 VAL A 3 6.423 -7.669 -1.662 1.00 71.40 C ATOM 0 H VAL A 3 5.296 -5.472 -0.906 1.00 5.10 H new ATOM 0 HA VAL A 3 4.730 -6.430 -3.416 1.00 74.43 H new ATOM 0 HB VAL A 3 4.514 -7.864 -0.737 1.00 11.31 H new ATOM 0 HG11 VAL A 3 4.941 -9.917 -2.022 1.00 62.02 H new ATOM 0 HG12 VAL A 3 3.421 -9.133 -2.513 1.00 62.02 H new ATOM 0 HG13 VAL A 3 4.870 -8.981 -3.534 1.00 62.02 H new ATOM 0 HG21 VAL A 3 6.831 -8.562 -1.188 1.00 71.40 H new ATOM 0 HG22 VAL A 3 6.839 -7.568 -2.664 1.00 71.40 H new ATOM 0 HG23 VAL A 3 6.685 -6.792 -1.070 1.00 71.40 H new ATOM 45 N GLU A 4 2.077 -6.187 -1.535 1.00 43.03 N ATOM 46 CA GLU A 4 0.622 -6.282 -1.517 1.00 11.43 C ATOM 47 C GLU A 4 0.029 -5.801 -2.838 1.00 22.33 C ATOM 48 O GLU A 4 -0.721 -6.522 -3.497 1.00 35.51 O ATOM 49 CB GLU A 4 0.048 -5.462 -0.360 1.00 73.40 C ATOM 50 CG GLU A 4 -1.461 -5.291 -0.424 1.00 34.13 C ATOM 51 CD GLU A 4 -2.009 -4.510 0.754 1.00 73.21 C ATOM 52 OE1 GLU A 4 -3.233 -4.581 0.993 1.00 60.22 O ATOM 53 OE2 GLU A 4 -1.216 -3.829 1.436 1.00 42.52 O1- ATOM 0 H GLU A 4 2.477 -5.696 -0.736 1.00 43.03 H new ATOM 0 HA GLU A 4 0.355 -7.329 -1.378 1.00 11.43 H new ATOM 0 HB2 GLU A 4 0.311 -5.944 0.581 1.00 73.40 H new ATOM 0 HB3 GLU A 4 0.517 -4.478 -0.356 1.00 73.40 H new ATOM 0 HG2 GLU A 4 -1.726 -4.780 -1.349 1.00 34.13 H new ATOM 0 HG3 GLU A 4 -1.933 -6.273 -0.456 1.00 34.13 H new ATOM 60 N THR A 5 0.371 -4.574 -3.221 1.00 74.04 N ATOM 61 CA THR A 5 -0.127 -3.994 -4.462 1.00 61.14 C ATOM 62 C THR A 5 0.353 -4.787 -5.672 1.00 11.11 C ATOM 63 O THR A 5 -0.438 -5.148 -6.543 1.00 53.10 O ATOM 64 CB THR A 5 0.318 -2.527 -4.615 1.00 23.45 C ATOM 65 OG1 THR A 5 0.019 -1.797 -3.419 1.00 72.15 O ATOM 66 CG2 THR A 5 -0.374 -1.872 -5.801 1.00 71.31 C ATOM 0 H THR A 5 0.991 -3.963 -2.689 1.00 74.04 H new ATOM 0 HA THR A 5 -1.215 -4.033 -4.414 1.00 61.14 H new ATOM 0 HB THR A 5 1.394 -2.513 -4.790 1.00 23.45 H new ATOM 0 HG1 THR A 5 0.306 -0.866 -3.524 1.00 72.15 H new ATOM 0 HG21 THR A 5 -0.044 -0.837 -5.889 1.00 71.31 H new ATOM 0 HG22 THR A 5 -0.121 -2.412 -6.713 1.00 71.31 H new ATOM 0 HG23 THR A 5 -1.453 -1.897 -5.652 1.00 71.31 H new ATOM 74 N ILE A 6 1.654 -5.056 -5.719 1.00 14.44 N ATOM 75 CA ILE A 6 2.238 -5.809 -6.821 1.00 13.03 C ATOM 76 C ILE A 6 1.467 -7.100 -7.076 1.00 73.35 C ATOM 77 O ILE A 6 1.002 -7.348 -8.189 1.00 33.51 O ATOM 78 CB ILE A 6 3.715 -6.152 -6.548 1.00 41.41 C ATOM 79 CG1 ILE A 6 4.604 -4.938 -6.829 1.00 24.24 C ATOM 80 CG2 ILE A 6 4.148 -7.339 -7.396 1.00 42.51 C ATOM 81 CD1 ILE A 6 4.462 -3.837 -5.803 1.00 64.21 C ATOM 0 H ILE A 6 2.323 -4.763 -5.007 1.00 14.44 H new ATOM 0 HA ILE A 6 2.178 -5.173 -7.704 1.00 13.03 H new ATOM 0 HB ILE A 6 3.822 -6.422 -5.497 1.00 41.41 H new ATOM 0 HG12 ILE A 6 5.645 -5.260 -6.863 1.00 24.24 H new ATOM 0 HG13 ILE A 6 4.361 -4.540 -7.814 1.00 24.24 H new ATOM 0 HG21 ILE A 6 5.194 -7.570 -7.192 1.00 42.51 H new ATOM 0 HG22 ILE A 6 3.532 -8.204 -7.152 1.00 42.51 H new ATOM 0 HG23 ILE A 6 4.029 -7.095 -8.452 1.00 42.51 H new ATOM 0 HD11 ILE A 6 5.120 -3.009 -6.065 1.00 64.21 H new ATOM 0 HD12 ILE A 6 3.430 -3.488 -5.784 1.00 64.21 H new ATOM 0 HD13 ILE A 6 4.734 -4.219 -4.819 1.00 64.21 H new ATOM 93 N ILE A 7 1.334 -7.917 -6.037 1.00 51.41 N ATOM 94 CA ILE A 7 0.617 -9.182 -6.148 1.00 0.02 C ATOM 95 C ILE A 7 -0.868 -8.950 -6.408 1.00 53.31 C ATOM 96 O ILE A 7 -1.457 -9.571 -7.292 1.00 54.10 O ATOM 97 CB ILE A 7 0.776 -10.033 -4.875 1.00 13.24 C ATOM 98 CG1 ILE A 7 2.245 -10.409 -4.667 1.00 70.25 C ATOM 99 CG2 ILE A 7 -0.088 -11.283 -4.961 1.00 54.25 C ATOM 100 CD1 ILE A 7 2.846 -11.164 -5.831 1.00 52.51 C ATOM 0 H ILE A 7 1.713 -7.726 -5.109 1.00 51.41 H new ATOM 0 HA ILE A 7 1.053 -9.719 -6.991 1.00 0.02 H new ATOM 0 HB ILE A 7 0.445 -9.444 -4.019 1.00 13.24 H new ATOM 0 HG12 ILE A 7 2.823 -9.501 -4.496 1.00 70.25 H new ATOM 0 HG13 ILE A 7 2.332 -11.017 -3.766 1.00 70.25 H new ATOM 0 HG21 ILE A 7 0.036 -11.874 -4.053 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -1.134 -10.996 -5.067 1.00 54.25 H new ATOM 0 HG23 ILE A 7 0.215 -11.876 -5.824 1.00 54.25 H new ATOM 0 HD11 ILE A 7 3.888 -11.397 -5.614 1.00 52.51 H new ATOM 0 HD12 ILE A 7 2.292 -12.089 -5.989 1.00 52.51 H new ATOM 0 HD13 ILE A 7 2.791 -10.550 -6.730 1.00 52.51 H new ATOM 112 N GLU A 8 -1.466 -8.050 -5.632 1.00 35.43 N ATOM 113 CA GLU A 8 -2.882 -7.736 -5.780 1.00 71.25 C ATOM 114 C GLU A 8 -3.218 -7.409 -7.231 1.00 71.52 C ATOM 115 O GLU A 8 -4.287 -7.764 -7.727 1.00 32.54 O ATOM 116 CB GLU A 8 -3.262 -6.560 -4.878 1.00 71.25 C ATOM 117 CG GLU A 8 -3.581 -6.965 -3.449 1.00 15.12 C ATOM 118 CD GLU A 8 -4.894 -7.716 -3.335 1.00 1.01 C ATOM 119 OE1 GLU A 8 -4.979 -8.636 -2.495 1.00 75.25 O ATOM 120 OE2 GLU A 8 -5.835 -7.384 -4.086 1.00 14.41 O1- ATOM 0 H GLU A 8 -0.992 -7.527 -4.896 1.00 35.43 H new ATOM 0 HA GLU A 8 -3.456 -8.613 -5.482 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -2.443 -5.841 -4.868 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -4.127 -6.051 -5.304 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -2.775 -7.589 -3.064 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -3.621 -6.074 -2.823 1.00 15.12 H new ATOM 127 N ARG A 9 -2.298 -6.728 -7.907 1.00 14.15 N ATOM 128 CA ARG A 9 -2.496 -6.351 -9.301 1.00 33.34 C ATOM 129 C ARG A 9 -2.457 -7.577 -10.207 1.00 22.34 C ATOM 130 O ARG A 9 -3.191 -7.658 -11.193 1.00 52.23 O ATOM 131 CB ARG A 9 -1.428 -5.347 -9.737 1.00 41.22 C ATOM 132 CG ARG A 9 -1.669 -3.937 -9.220 1.00 63.41 C ATOM 133 CD ARG A 9 -1.028 -2.895 -10.123 1.00 44.44 C ATOM 134 NE ARG A 9 -1.946 -1.804 -10.437 1.00 1.20 N ATOM 135 CZ ARG A 9 -2.960 -1.919 -11.289 1.00 43.43 C ATOM 136 NH1 ARG A 9 -3.183 -3.070 -11.908 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 -3.751 -0.880 -11.524 1.00 51.24 N ATOM 0 H ARG A 9 -1.408 -6.426 -7.511 1.00 14.15 H new ATOM 0 HA ARG A 9 -3.478 -5.887 -9.389 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -0.454 -5.691 -9.388 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -1.387 -5.323 -10.826 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -2.741 -3.751 -9.152 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -1.265 -3.844 -8.212 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -0.139 -2.492 -9.638 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -0.699 -3.370 -11.048 1.00 44.44 H new ATOM 0 HE ARG A 9 -1.802 -0.905 -9.978 1.00 1.20 H new ATOM 0 HH11 ARG A 9 -2.576 -3.870 -11.731 1.00 23.04 H new ATOM 0 HH12 ARG A 9 -3.962 -3.155 -12.561 1.00 23.04 H new ATOM 0 HH21 ARG A 9 -3.581 0.008 -11.051 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -4.529 -0.969 -12.178 1.00 51.24 H new ATOM 151 N ILE A 10 -1.596 -8.530 -9.867 1.00 40.41 N ATOM 152 CA ILE A 10 -1.461 -9.752 -10.650 1.00 14.34 C ATOM 153 C ILE A 10 -2.693 -10.639 -10.503 1.00 62.03 C ATOM 154 O ILE A 10 -3.336 -10.997 -11.489 1.00 74.00 O ATOM 155 CB ILE A 10 -0.213 -10.555 -10.232 1.00 5.51 C ATOM 156 CG1 ILE A 10 1.043 -9.691 -10.368 1.00 24.51 C ATOM 157 CG2 ILE A 10 -0.090 -11.816 -11.072 1.00 55.12 C ATOM 158 CD1 ILE A 10 2.217 -10.202 -9.562 1.00 13.02 C ATOM 0 H ILE A 10 -0.981 -8.479 -9.055 1.00 40.41 H new ATOM 0 HA ILE A 10 -1.356 -9.448 -11.692 1.00 14.34 H new ATOM 0 HB ILE A 10 -0.318 -10.848 -9.187 1.00 5.51 H new ATOM 0 HG12 ILE A 10 1.328 -9.641 -11.419 1.00 24.51 H new ATOM 0 HG13 ILE A 10 0.811 -8.674 -10.052 1.00 24.51 H new ATOM 0 HG21 ILE A 10 0.796 -12.372 -10.765 1.00 55.12 H new ATOM 0 HG22 ILE A 10 -0.975 -12.436 -10.930 1.00 55.12 H new ATOM 0 HG23 ILE A 10 -0.002 -11.545 -12.124 1.00 55.12 H new ATOM 0 HD11 ILE A 10 3.072 -9.542 -9.706 1.00 13.02 H new ATOM 0 HD12 ILE A 10 1.950 -10.226 -8.505 1.00 13.02 H new ATOM 0 HD13 ILE A 10 2.476 -11.208 -9.893 1.00 13.02 H new ATOM 170 N LYS A 11 -3.020 -10.987 -9.262 1.00 61.13 N ATOM 171 CA LYS A 11 -4.177 -11.828 -8.983 1.00 50.23 C ATOM 172 C LYS A 11 -5.412 -11.317 -9.719 1.00 62.52 C ATOM 173 O LYS A 11 -6.255 -12.099 -10.155 1.00 43.22 O ATOM 174 CB LYS A 11 -4.450 -11.874 -7.478 1.00 4.34 C ATOM 175 CG LYS A 11 -4.585 -10.501 -6.843 1.00 75.22 C ATOM 176 CD LYS A 11 -5.089 -10.596 -5.412 1.00 21.30 C ATOM 177 CE LYS A 11 -4.063 -11.252 -4.502 1.00 45.52 C ATOM 178 NZ LYS A 11 -4.579 -11.420 -3.114 1.00 13.21 N1+ ATOM 0 H LYS A 11 -2.499 -10.699 -8.434 1.00 61.13 H new ATOM 0 HA LYS A 11 -3.956 -12.835 -9.337 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -5.365 -12.439 -7.300 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -3.641 -12.415 -6.987 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -3.619 -9.996 -6.857 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -5.271 -9.893 -7.432 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -5.321 -9.598 -5.040 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -6.016 -11.169 -5.389 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -3.788 -12.226 -4.907 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -3.156 -10.647 -4.482 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -3.863 -11.901 -2.533 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -4.786 -10.486 -2.705 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -5.449 -11.990 -3.134 1.00 13.21 H new ATOM 192 N ALA A 12 -5.511 -9.998 -9.852 1.00 55.14 N ATOM 193 CA ALA A 12 -6.640 -9.383 -10.538 1.00 34.34 C ATOM 194 C ALA A 12 -6.537 -9.574 -12.048 1.00 55.24 C ATOM 195 O ALA A 12 -7.531 -9.859 -12.717 1.00 10.40 O ATOM 196 CB ALA A 12 -6.723 -7.903 -10.196 1.00 45.33 C ATOM 0 H ALA A 12 -4.823 -9.336 -9.494 1.00 55.14 H new ATOM 0 HA ALA A 12 -7.551 -9.875 -10.198 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -7.571 -7.457 -10.715 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -6.853 -7.785 -9.120 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -5.804 -7.406 -10.507 1.00 45.33 H new ATOM 202 N ARG A 13 -5.328 -9.415 -12.578 1.00 1.42 N ATOM 203 CA ARG A 13 -5.096 -9.568 -14.009 1.00 42.34 C ATOM 204 C ARG A 13 -5.273 -11.023 -14.435 1.00 75.41 C ATOM 205 O ARG A 13 -6.014 -11.320 -15.372 1.00 71.34 O ATOM 206 CB ARG A 13 -3.692 -9.085 -14.373 1.00 55.21 C ATOM 207 CG ARG A 13 -3.412 -9.096 -15.867 1.00 12.20 C ATOM 208 CD ARG A 13 -4.159 -7.979 -16.581 1.00 25.52 C ATOM 209 NE ARG A 13 -3.412 -6.724 -16.565 1.00 14.11 N ATOM 210 CZ ARG A 13 -2.379 -6.473 -17.361 1.00 35.11 C ATOM 211 NH1 ARG A 13 -1.972 -7.387 -18.232 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -1.750 -5.307 -17.287 1.00 54.31 N ATOM 0 H ARG A 13 -4.495 -9.180 -12.038 1.00 1.42 H new ATOM 0 HA ARG A 13 -5.830 -8.961 -14.539 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -3.556 -8.072 -13.994 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -2.958 -9.715 -13.870 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -2.341 -8.987 -16.039 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -3.706 -10.058 -16.287 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -4.351 -8.273 -17.613 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -5.129 -7.830 -16.106 1.00 25.52 H new ATOM 0 HE ARG A 13 -3.700 -6.000 -15.906 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -2.453 -8.285 -18.291 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -1.178 -7.192 -18.842 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -2.060 -4.602 -16.618 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -0.957 -5.116 -17.899 1.00 54.31 H new ATOM 226 N VAL A 14 -4.586 -11.925 -13.742 1.00 22.42 N ATOM 227 CA VAL A 14 -4.668 -13.349 -14.048 1.00 65.13 C ATOM 228 C VAL A 14 -6.118 -13.816 -14.107 1.00 11.41 C ATOM 229 O VAL A 14 -6.519 -14.514 -15.037 1.00 11.41 O ATOM 230 CB VAL A 14 -3.910 -14.191 -13.006 1.00 21.10 C ATOM 231 CG1 VAL A 14 -2.411 -14.140 -13.265 1.00 11.02 C ATOM 232 CG2 VAL A 14 -4.232 -13.713 -11.599 1.00 61.14 C ATOM 0 H VAL A 14 -3.966 -11.696 -12.965 1.00 22.42 H new ATOM 0 HA VAL A 14 -4.205 -13.490 -15.024 1.00 65.13 H new ATOM 0 HB VAL A 14 -4.235 -15.227 -13.097 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -1.892 -14.741 -12.518 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -2.200 -14.534 -14.259 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -2.066 -13.108 -13.203 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -3.688 -14.319 -10.875 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -3.937 -12.669 -11.493 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -5.303 -13.807 -11.419 1.00 61.14 H new ATOM 242 N GLY A 15 -6.900 -13.425 -13.106 1.00 21.44 N ATOM 243 CA GLY A 15 -8.299 -13.813 -13.063 1.00 52.30 C ATOM 244 C GLY A 15 -9.148 -13.031 -14.045 1.00 73.25 C ATOM 245 O GLY A 15 -10.349 -13.269 -14.163 1.00 42.21 O ATOM 0 H GLY A 15 -6.591 -12.847 -12.324 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -8.384 -14.878 -13.281 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -8.684 -13.662 -12.054 1.00 52.30 H new ATOM 249 N ALA A 16 -8.524 -12.092 -14.748 1.00 11.20 N ATOM 250 CA ALA A 16 -9.231 -11.273 -15.724 1.00 51.25 C ATOM 251 C ALA A 16 -8.775 -11.595 -17.145 1.00 3.23 C ATOM 252 O ALA A 16 -9.294 -11.041 -18.114 1.00 4.14 O ATOM 253 CB ALA A 16 -9.021 -9.796 -15.424 1.00 14.21 C ATOM 0 H ALA A 16 -7.530 -11.880 -14.660 1.00 11.20 H new ATOM 0 HA ALA A 16 -10.294 -11.501 -15.650 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -9.555 -9.196 -16.161 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -9.401 -9.570 -14.428 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -7.957 -9.563 -15.468 1.00 14.21 H new ATOM 259 N VAL A 17 -7.804 -12.494 -17.260 1.00 61.40 N ATOM 260 CA VAL A 17 -7.279 -12.890 -18.561 1.00 25.41 C ATOM 261 C VAL A 17 -8.405 -13.273 -19.514 1.00 62.03 C ATOM 262 O VAL A 17 -9.246 -14.113 -19.193 1.00 65.32 O ATOM 263 CB VAL A 17 -6.303 -14.075 -18.436 1.00 5.11 C ATOM 264 CG1 VAL A 17 -6.073 -14.723 -19.792 1.00 42.13 C ATOM 265 CG2 VAL A 17 -4.987 -13.619 -17.824 1.00 53.34 C ATOM 0 H VAL A 17 -7.364 -12.962 -16.468 1.00 61.40 H new ATOM 0 HA VAL A 17 -6.744 -12.029 -18.961 1.00 25.41 H new ATOM 0 HB VAL A 17 -6.746 -14.820 -17.775 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -5.381 -15.558 -19.684 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -7.022 -15.087 -20.187 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -5.651 -13.989 -20.479 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -4.309 -14.469 -17.743 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -4.537 -12.855 -18.458 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -5.171 -13.206 -16.832 1.00 53.34 H new ATOM 275 N ASP A 18 -8.417 -12.650 -20.688 1.00 53.03 N ATOM 276 CA ASP A 18 -9.440 -12.926 -21.689 1.00 53.12 C ATOM 277 C ASP A 18 -8.879 -13.790 -22.815 1.00 33.02 C ATOM 278 O ASP A 18 -7.723 -13.655 -23.216 1.00 11.13 O ATOM 279 CB ASP A 18 -9.992 -11.619 -22.260 1.00 41.05 C ATOM 280 CG ASP A 18 -11.020 -10.978 -21.348 1.00 3.44 C ATOM 281 OD1 ASP A 18 -11.154 -9.737 -21.386 1.00 41.35 O ATOM 282 OD2 ASP A 18 -11.690 -11.717 -20.599 1.00 43.50 O1- ATOM 0 H ASP A 18 -7.730 -11.951 -20.969 1.00 53.03 H new ATOM 0 HA ASP A 18 -10.249 -13.472 -21.204 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -9.170 -10.922 -22.424 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -10.444 -11.813 -23.233 1.00 41.05 H new ATOM 287 N PRO A 19 -9.716 -14.699 -23.337 1.00 61.33 N ATOM 288 CA PRO A 19 -9.326 -15.603 -24.424 1.00 24.45 C ATOM 289 C PRO A 19 -9.138 -14.871 -25.747 1.00 52.45 C ATOM 290 O PRO A 19 -8.605 -15.429 -26.705 1.00 60.01 O ATOM 291 CB PRO A 19 -10.502 -16.579 -24.513 1.00 44.51 C ATOM 292 CG PRO A 19 -11.665 -15.821 -23.970 1.00 61.04 C ATOM 293 CD PRO A 19 -11.108 -14.914 -22.908 1.00 65.12 C ATOM 0 HA PRO A 19 -8.368 -16.086 -24.229 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -10.679 -16.893 -25.542 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -10.312 -17.482 -23.933 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -12.157 -15.247 -24.755 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -12.412 -16.497 -23.554 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -11.660 -13.976 -22.851 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -11.158 -15.374 -21.921 1.00 65.12 H new ATOM 301 N ASN A 20 -9.580 -13.619 -25.793 1.00 14.21 N ATOM 302 CA ASN A 20 -9.460 -12.810 -27.001 1.00 51.20 C ATOM 303 C ASN A 20 -8.016 -12.369 -27.221 1.00 32.21 C ATOM 304 O ASN A 20 -7.544 -12.295 -28.355 1.00 25.02 O ATOM 305 CB ASN A 20 -10.371 -11.583 -26.912 1.00 64.43 C ATOM 306 CG ASN A 20 -11.595 -11.706 -27.798 1.00 2.35 C ATOM 307 OD1 ASN A 20 -11.782 -10.923 -28.729 1.00 4.13 O ATOM 308 ND2 ASN A 20 -12.437 -12.693 -27.511 1.00 52.44 N ATOM 0 H ASN A 20 -10.024 -13.142 -25.008 1.00 14.21 H new ATOM 0 HA ASN A 20 -9.767 -13.422 -27.849 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -10.687 -11.443 -25.878 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -9.808 -10.694 -27.197 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -13.278 -12.825 -28.072 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -12.242 -13.319 -26.729 1.00 52.44 H new ATOM 315 N GLY A 21 -7.318 -12.081 -26.127 1.00 50.52 N ATOM 316 CA GLY A 21 -5.934 -11.653 -26.221 1.00 62.51 C ATOM 317 C GLY A 21 -4.966 -12.818 -26.226 1.00 11.23 C ATOM 318 O GLY A 21 -4.625 -13.366 -27.275 1.00 25.24 O ATOM 0 H GLY A 21 -7.686 -12.136 -25.177 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -5.799 -11.068 -27.131 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -5.702 -10.996 -25.383 1.00 62.51 H new ATOM 322 N PRO A 22 -4.504 -13.214 -25.030 1.00 62.45 N ATOM 323 CA PRO A 22 -3.561 -14.326 -24.875 1.00 23.24 C ATOM 324 C PRO A 22 -4.200 -15.676 -25.185 1.00 51.52 C ATOM 325 O PRO A 22 -5.292 -15.741 -25.749 1.00 44.23 O ATOM 326 CB PRO A 22 -3.163 -14.249 -23.399 1.00 44.15 C ATOM 327 CG PRO A 22 -4.312 -13.576 -22.731 1.00 54.42 C ATOM 328 CD PRO A 22 -4.868 -12.608 -23.740 1.00 52.42 C ATOM 0 HA PRO A 22 -2.719 -14.246 -25.563 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -2.990 -15.242 -22.983 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -2.241 -13.683 -23.267 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -5.067 -14.301 -22.429 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -3.989 -13.057 -21.829 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -5.948 -12.497 -23.638 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -4.434 -11.615 -23.626 1.00 52.42 H new ATOM 336 N ARG A 23 -3.511 -16.750 -24.812 1.00 3.14 N ATOM 337 CA ARG A 23 -4.012 -18.098 -25.052 1.00 53.14 C ATOM 338 C ARG A 23 -3.735 -19.001 -23.853 1.00 53.31 C ATOM 339 O ARG A 23 -2.901 -18.687 -23.004 1.00 11.32 O ATOM 340 CB ARG A 23 -3.368 -18.688 -26.309 1.00 65.52 C ATOM 341 CG ARG A 23 -3.816 -18.015 -27.596 1.00 43.32 C ATOM 342 CD ARG A 23 -5.328 -18.059 -27.751 1.00 4.23 C ATOM 343 NE ARG A 23 -5.727 -18.491 -29.088 1.00 13.13 N ATOM 344 CZ ARG A 23 -6.942 -18.299 -29.590 1.00 63.53 C ATOM 345 NH1 ARG A 23 -7.871 -17.684 -28.870 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -7.230 -18.720 -30.814 1.00 32.33 N ATOM 0 H ARG A 23 -2.606 -16.713 -24.343 1.00 3.14 H new ATOM 0 HA ARG A 23 -5.090 -18.038 -25.199 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -2.284 -18.606 -26.224 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -3.604 -19.751 -26.363 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -3.479 -16.979 -27.602 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -3.347 -18.508 -28.448 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -5.749 -18.738 -27.010 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -5.742 -17.071 -27.550 1.00 4.23 H new ATOM 0 HE ARG A 23 -5.035 -18.966 -29.668 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -7.653 -17.357 -27.929 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -8.803 -17.538 -29.258 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -6.518 -19.192 -31.372 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -8.163 -18.572 -31.198 1.00 32.33 H new ATOM 360 N LYS A 24 -4.441 -20.125 -23.791 1.00 71.13 N ATOM 361 CA LYS A 24 -4.271 -21.075 -22.698 1.00 41.04 C ATOM 362 C LYS A 24 -2.910 -21.758 -22.776 1.00 22.22 C ATOM 363 O LYS A 24 -2.719 -22.702 -23.543 1.00 21.24 O ATOM 364 CB LYS A 24 -5.383 -22.127 -22.733 1.00 44.53 C ATOM 365 CG LYS A 24 -6.581 -21.775 -21.866 1.00 62.53 C ATOM 366 CD LYS A 24 -7.855 -22.412 -22.392 1.00 63.55 C ATOM 367 CE LYS A 24 -8.165 -23.717 -21.674 1.00 34.31 C ATOM 368 NZ LYS A 24 -8.921 -24.662 -22.542 1.00 63.14 N1+ ATOM 0 H LYS A 24 -5.136 -20.400 -24.485 1.00 71.13 H new ATOM 0 HA LYS A 24 -4.328 -20.524 -21.759 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -5.716 -22.257 -23.763 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -4.977 -23.084 -22.406 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -6.402 -22.108 -20.844 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -6.701 -20.692 -21.832 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -8.688 -21.720 -22.266 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -7.755 -22.599 -23.461 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -7.234 -24.185 -21.353 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -8.744 -23.508 -20.774 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -9.113 -25.539 -22.016 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -9.821 -24.226 -22.828 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -8.358 -24.882 -23.388 1.00 63.14 H new ATOM 382 N VAL A 25 -1.964 -21.275 -21.976 1.00 32.25 N ATOM 383 CA VAL A 25 -0.621 -21.841 -21.952 1.00 72.11 C ATOM 384 C VAL A 25 -0.437 -22.773 -20.760 1.00 51.12 C ATOM 385 O VAL A 25 -1.318 -22.889 -19.908 1.00 43.45 O ATOM 386 CB VAL A 25 0.452 -20.736 -21.895 1.00 34.14 C ATOM 387 CG1 VAL A 25 0.489 -19.959 -23.202 1.00 11.11 C ATOM 388 CG2 VAL A 25 0.196 -19.806 -20.720 1.00 3.14 C ATOM 0 H VAL A 25 -2.104 -20.493 -21.336 1.00 32.25 H new ATOM 0 HA VAL A 25 -0.501 -22.409 -22.875 1.00 72.11 H new ATOM 0 HB VAL A 25 1.425 -21.206 -21.752 1.00 34.14 H new ATOM 0 HG11 VAL A 25 1.252 -19.183 -23.143 1.00 11.11 H new ATOM 0 HG12 VAL A 25 0.724 -20.637 -24.022 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -0.483 -19.499 -23.379 1.00 11.11 H new ATOM 0 HG21 VAL A 25 0.963 -19.032 -20.695 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -0.784 -19.342 -20.830 1.00 3.14 H new ATOM 0 HG23 VAL A 25 0.225 -20.376 -19.792 1.00 3.14 H new ATOM 398 N LEU A 26 0.711 -23.437 -20.707 1.00 52.13 N ATOM 399 CA LEU A 26 1.012 -24.361 -19.618 1.00 53.31 C ATOM 400 C LEU A 26 2.360 -24.034 -18.983 1.00 41.52 C ATOM 401 O LEU A 26 3.349 -23.814 -19.680 1.00 23.31 O ATOM 402 CB LEU A 26 1.014 -25.802 -20.132 1.00 34.22 C ATOM 403 CG LEU A 26 1.989 -26.109 -21.269 1.00 5.53 C ATOM 404 CD1 LEU A 26 2.376 -27.579 -21.258 1.00 50.53 C ATOM 405 CD2 LEU A 26 1.383 -25.725 -22.610 1.00 1.25 C ATOM 0 H LEU A 26 1.450 -23.354 -21.405 1.00 52.13 H new ATOM 0 HA LEU A 26 0.238 -24.253 -18.858 1.00 53.31 H new ATOM 0 HB2 LEU A 26 1.242 -26.464 -19.297 1.00 34.22 H new ATOM 0 HB3 LEU A 26 0.007 -26.048 -20.468 1.00 34.22 H new ATOM 0 HG LEU A 26 2.891 -25.516 -21.118 1.00 5.53 H new ATOM 0 HD11 LEU A 26 3.070 -27.779 -22.074 1.00 50.53 H new ATOM 0 HD12 LEU A 26 2.853 -27.823 -20.308 1.00 50.53 H new ATOM 0 HD13 LEU A 26 1.483 -28.191 -21.383 1.00 50.53 H new ATOM 0 HD21 LEU A 26 2.091 -25.951 -23.407 1.00 1.25 H new ATOM 0 HD22 LEU A 26 0.465 -26.290 -22.770 1.00 1.25 H new ATOM 0 HD23 LEU A 26 1.158 -24.658 -22.616 1.00 1.25 H new ATOM 417 N GLY A 27 2.390 -24.007 -17.655 1.00 11.13 N ATOM 418 CA GLY A 27 3.622 -23.709 -16.947 1.00 74.50 C ATOM 419 C GLY A 27 3.380 -22.952 -15.656 1.00 72.22 C ATOM 420 O GLY A 27 2.237 -22.677 -15.294 1.00 33.15 O ATOM 0 H GLY A 27 1.584 -24.186 -17.056 1.00 11.13 H new ATOM 0 HA2 GLY A 27 4.145 -24.640 -16.726 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.275 -23.122 -17.592 1.00 74.50 H new ATOM 424 N VAL A 28 4.460 -22.615 -14.958 1.00 0.31 N ATOM 425 CA VAL A 28 4.361 -21.885 -13.700 1.00 11.43 C ATOM 426 C VAL A 28 5.496 -20.878 -13.557 1.00 12.21 C ATOM 427 O VAL A 28 6.562 -21.039 -14.152 1.00 72.43 O ATOM 428 CB VAL A 28 4.384 -22.843 -12.493 1.00 51.42 C ATOM 429 CG1 VAL A 28 3.773 -22.175 -11.271 1.00 54.12 C ATOM 430 CG2 VAL A 28 3.654 -24.136 -12.825 1.00 65.50 C ATOM 0 H VAL A 28 5.414 -22.836 -15.243 1.00 0.31 H new ATOM 0 HA VAL A 28 3.409 -21.354 -13.716 1.00 11.43 H new ATOM 0 HB VAL A 28 5.421 -23.087 -12.264 1.00 51.42 H new ATOM 0 HG11 VAL A 28 3.798 -22.866 -10.428 1.00 54.12 H new ATOM 0 HG12 VAL A 28 4.343 -21.280 -11.023 1.00 54.12 H new ATOM 0 HG13 VAL A 28 2.740 -21.900 -11.485 1.00 54.12 H new ATOM 0 HG21 VAL A 28 3.680 -24.801 -11.961 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.618 -23.914 -13.081 1.00 65.50 H new ATOM 0 HG23 VAL A 28 4.140 -24.621 -13.671 1.00 65.50 H new ATOM 440 N PHE A 29 5.261 -19.838 -12.764 1.00 21.24 N ATOM 441 CA PHE A 29 6.264 -18.804 -12.543 1.00 24.31 C ATOM 442 C PHE A 29 6.587 -18.668 -11.057 1.00 74.32 C ATOM 443 O PHE A 29 5.691 -18.685 -10.213 1.00 14.41 O ATOM 444 CB PHE A 29 5.774 -17.463 -13.094 1.00 62.43 C ATOM 445 CG PHE A 29 5.542 -17.474 -14.578 1.00 74.23 C ATOM 446 CD1 PHE A 29 6.466 -18.052 -15.433 1.00 73.12 C ATOM 447 CD2 PHE A 29 4.399 -16.906 -15.117 1.00 0.33 C ATOM 448 CE1 PHE A 29 6.256 -18.064 -16.798 1.00 43.11 C ATOM 449 CE2 PHE A 29 4.183 -16.916 -16.483 1.00 64.12 C ATOM 450 CZ PHE A 29 5.113 -17.495 -17.324 1.00 52.54 C ATOM 0 H PHE A 29 4.385 -19.689 -12.264 1.00 21.24 H new ATOM 0 HA PHE A 29 7.173 -19.096 -13.069 1.00 24.31 H new ATOM 0 HB2 PHE A 29 4.846 -17.190 -12.591 1.00 62.43 H new ATOM 0 HB3 PHE A 29 6.506 -16.691 -12.854 1.00 62.43 H new ATOM 0 HD1 PHE A 29 7.362 -18.499 -15.027 1.00 73.12 H new ATOM 0 HD2 PHE A 29 3.669 -16.451 -14.464 1.00 0.33 H new ATOM 0 HE1 PHE A 29 6.985 -18.518 -17.453 1.00 43.11 H new ATOM 0 HE2 PHE A 29 3.288 -16.471 -16.892 1.00 64.12 H new ATOM 0 HZ PHE A 29 4.947 -17.503 -18.391 1.00 52.54 H new ATOM 460 N GLN A 30 7.872 -18.533 -10.747 1.00 73.10 N ATOM 461 CA GLN A 30 8.314 -18.396 -9.364 1.00 2.03 C ATOM 462 C GLN A 30 8.841 -16.989 -9.098 1.00 32.14 C ATOM 463 O GLN A 30 9.990 -16.676 -9.415 1.00 10.04 O ATOM 464 CB GLN A 30 9.397 -19.428 -9.047 1.00 11.10 C ATOM 465 CG GLN A 30 9.616 -19.643 -7.559 1.00 21.52 C ATOM 466 CD GLN A 30 8.324 -19.896 -6.809 1.00 3.11 C ATOM 467 OE1 GLN A 30 7.517 -20.737 -7.206 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.120 -19.167 -5.717 1.00 1.20 N ATOM 0 H GLN A 30 8.625 -18.516 -11.434 1.00 73.10 H new ATOM 0 HA GLN A 30 7.455 -18.571 -8.716 1.00 2.03 H new ATOM 0 HB2 GLN A 30 9.127 -20.379 -9.507 1.00 11.10 H new ATOM 0 HB3 GLN A 30 10.335 -19.109 -9.501 1.00 11.10 H new ATOM 0 HG2 GLN A 30 10.288 -20.489 -7.413 1.00 21.52 H new ATOM 0 HG3 GLN A 30 10.110 -18.767 -7.138 1.00 21.52 H new ATOM 0 HE21 GLN A 30 8.816 -18.481 -5.424 1.00 1.20 H new ATOM 0 HE22 GLN A 30 7.268 -19.293 -5.171 1.00 1.20 H new ATOM 477 N LEU A 31 7.996 -16.147 -8.515 1.00 65.02 N ATOM 478 CA LEU A 31 8.377 -14.773 -8.207 1.00 54.50 C ATOM 479 C LEU A 31 9.230 -14.715 -6.943 1.00 53.24 C ATOM 480 O LEU A 31 8.846 -15.238 -5.899 1.00 13.04 O ATOM 481 CB LEU A 31 7.130 -13.903 -8.034 1.00 52.25 C ATOM 482 CG LEU A 31 7.291 -12.423 -8.383 1.00 62.25 C ATOM 483 CD1 LEU A 31 6.020 -11.656 -8.051 1.00 62.41 C ATOM 484 CD2 LEU A 31 8.483 -11.828 -7.648 1.00 64.43 C ATOM 0 H LEU A 31 7.043 -16.391 -8.246 1.00 65.02 H new ATOM 0 HA LEU A 31 8.967 -14.390 -9.040 1.00 54.50 H new ATOM 0 HB2 LEU A 31 6.334 -14.317 -8.653 1.00 52.25 H new ATOM 0 HB3 LEU A 31 6.800 -13.978 -6.998 1.00 52.25 H new ATOM 0 HG LEU A 31 7.472 -12.339 -9.455 1.00 62.25 H new ATOM 0 HD11 LEU A 31 6.153 -10.605 -8.306 1.00 62.41 H new ATOM 0 HD12 LEU A 31 5.188 -12.066 -8.623 1.00 62.41 H new ATOM 0 HD13 LEU A 31 5.808 -11.747 -6.986 1.00 62.41 H new ATOM 0 HD21 LEU A 31 8.582 -10.774 -7.909 1.00 64.43 H new ATOM 0 HD22 LEU A 31 8.332 -11.923 -6.573 1.00 64.43 H new ATOM 0 HD23 LEU A 31 9.390 -12.360 -7.935 1.00 64.43 H new ATOM 496 N ASN A 32 10.388 -14.072 -7.046 1.00 55.44 N ATOM 497 CA ASN A 32 11.295 -13.943 -5.912 1.00 63.23 C ATOM 498 C ASN A 32 11.687 -12.486 -5.690 1.00 53.21 C ATOM 499 O ASN A 32 12.455 -11.914 -6.465 1.00 30.12 O ATOM 500 CB ASN A 32 12.548 -14.792 -6.134 1.00 15.22 C ATOM 501 CG ASN A 32 12.233 -16.272 -6.242 1.00 74.20 C ATOM 502 OD1 ASN A 32 12.342 -17.013 -5.265 1.00 54.54 O ATOM 503 ND2 ASN A 32 11.840 -16.708 -7.433 1.00 41.33 N ATOM 0 H ASN A 32 10.721 -13.632 -7.904 1.00 55.44 H new ATOM 0 HA ASN A 32 10.776 -14.300 -5.023 1.00 63.23 H new ATOM 0 HB2 ASN A 32 13.050 -14.463 -7.044 1.00 15.22 H new ATOM 0 HB3 ASN A 32 13.243 -14.631 -5.310 1.00 15.22 H new ATOM 0 HD21 ASN A 32 11.614 -17.694 -7.566 1.00 41.33 H new ATOM 0 HD22 ASN A 32 11.764 -16.057 -8.215 1.00 41.33 H new ATOM 510 N ILE A 33 11.155 -11.890 -4.629 1.00 31.21 N ATOM 511 CA ILE A 33 11.450 -10.500 -4.306 1.00 31.14 C ATOM 512 C ILE A 33 12.462 -10.403 -3.168 1.00 52.44 C ATOM 513 O ILE A 33 12.251 -10.952 -2.086 1.00 11.10 O ATOM 514 CB ILE A 33 10.176 -9.730 -3.911 1.00 13.11 C ATOM 515 CG1 ILE A 33 9.108 -9.877 -4.997 1.00 12.13 C ATOM 516 CG2 ILE A 33 10.497 -8.262 -3.672 1.00 60.34 C ATOM 517 CD1 ILE A 33 8.018 -10.865 -4.643 1.00 72.22 C ATOM 0 H ILE A 33 10.517 -12.348 -3.978 1.00 31.21 H new ATOM 0 HA ILE A 33 11.872 -10.050 -5.205 1.00 31.14 H new ATOM 0 HB ILE A 33 9.786 -10.152 -2.985 1.00 13.11 H new ATOM 0 HG12 ILE A 33 8.657 -8.903 -5.186 1.00 12.13 H new ATOM 0 HG13 ILE A 33 9.586 -10.192 -5.925 1.00 12.13 H new ATOM 0 HG21 ILE A 33 9.587 -7.731 -3.394 1.00 60.34 H new ATOM 0 HG22 ILE A 33 11.228 -8.176 -2.868 1.00 60.34 H new ATOM 0 HG23 ILE A 33 10.907 -7.826 -4.583 1.00 60.34 H new ATOM 0 HD11 ILE A 33 7.296 -10.918 -5.458 1.00 72.22 H new ATOM 0 HD12 ILE A 33 8.457 -11.850 -4.483 1.00 72.22 H new ATOM 0 HD13 ILE A 33 7.514 -10.540 -3.733 1.00 72.22 H new ATOM 529 N LYS A 34 13.561 -9.700 -3.419 1.00 22.24 N ATOM 530 CA LYS A 34 14.605 -9.527 -2.416 1.00 23.21 C ATOM 531 C LYS A 34 14.116 -8.651 -1.267 1.00 44.34 C ATOM 532 O LYS A 34 13.308 -7.743 -1.466 1.00 15.11 O ATOM 533 CB LYS A 34 15.853 -8.908 -3.050 1.00 53.34 C ATOM 534 CG LYS A 34 15.893 -7.393 -2.957 1.00 41.43 C ATOM 535 CD LYS A 34 16.653 -6.783 -4.123 1.00 33.21 C ATOM 536 CE LYS A 34 17.981 -6.192 -3.675 1.00 40.23 C ATOM 537 NZ LYS A 34 19.087 -6.541 -4.610 1.00 30.42 N1+ ATOM 0 H LYS A 34 13.752 -9.240 -4.309 1.00 22.24 H new ATOM 0 HA LYS A 34 14.858 -10.510 -2.017 1.00 23.21 H new ATOM 0 HB2 LYS A 34 16.739 -9.317 -2.564 1.00 53.34 H new ATOM 0 HB3 LYS A 34 15.901 -9.201 -4.099 1.00 53.34 H new ATOM 0 HG2 LYS A 34 14.876 -7.002 -2.940 1.00 41.43 H new ATOM 0 HG3 LYS A 34 16.364 -7.097 -2.020 1.00 41.43 H new ATOM 0 HD2 LYS A 34 16.830 -7.545 -4.882 1.00 33.21 H new ATOM 0 HD3 LYS A 34 16.046 -6.006 -4.588 1.00 33.21 H new ATOM 0 HE2 LYS A 34 17.892 -5.108 -3.607 1.00 40.23 H new ATOM 0 HE3 LYS A 34 18.222 -6.555 -2.676 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 19.975 -6.120 -4.270 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 19.190 -7.575 -4.656 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 18.870 -6.172 -5.558 1.00 30.42 H new ATOM 551 N THR A 35 14.614 -8.926 -0.066 1.00 41.14 N ATOM 552 CA THR A 35 14.229 -8.162 1.114 1.00 62.04 C ATOM 553 C THR A 35 15.394 -8.028 2.088 1.00 21.21 C ATOM 554 O THR A 35 16.446 -8.638 1.898 1.00 42.41 O ATOM 555 CB THR A 35 13.038 -8.815 1.842 1.00 73.14 C ATOM 556 OG1 THR A 35 13.497 -9.903 2.653 1.00 74.33 O ATOM 557 CG2 THR A 35 12.005 -9.320 0.846 1.00 21.11 C ATOM 0 H THR A 35 15.285 -9.672 0.115 1.00 41.14 H new ATOM 0 HA THR A 35 13.935 -7.172 0.767 1.00 62.04 H new ATOM 0 HB THR A 35 12.570 -8.061 2.475 1.00 73.14 H new ATOM 0 HG1 THR A 35 12.735 -10.312 3.113 1.00 74.33 H new ATOM 0 HG21 THR A 35 11.174 -9.777 1.384 1.00 21.11 H new ATOM 0 HG22 THR A 35 11.636 -8.485 0.250 1.00 21.11 H new ATOM 0 HG23 THR A 35 12.463 -10.060 0.190 1.00 21.11 H new ATOM 565 N ALA A 36 15.199 -7.228 3.130 1.00 32.44 N ATOM 566 CA ALA A 36 16.234 -7.017 4.135 1.00 70.24 C ATOM 567 C ALA A 36 16.302 -8.189 5.108 1.00 54.21 C ATOM 568 O ALA A 36 17.269 -8.333 5.856 1.00 10.51 O ATOM 569 CB ALA A 36 15.982 -5.719 4.887 1.00 11.33 C ATOM 0 H ALA A 36 14.334 -6.715 3.301 1.00 32.44 H new ATOM 0 HA ALA A 36 17.194 -6.948 3.623 1.00 70.24 H new ATOM 0 HB1 ALA A 36 16.762 -5.574 5.634 1.00 11.33 H new ATOM 0 HB2 ALA A 36 15.992 -4.885 4.186 1.00 11.33 H new ATOM 0 HB3 ALA A 36 15.011 -5.767 5.381 1.00 11.33 H new ATOM 575 N SER A 37 15.269 -9.026 5.093 1.00 12.43 N ATOM 576 CA SER A 37 15.210 -10.185 5.977 1.00 24.12 C ATOM 577 C SER A 37 15.221 -11.481 5.173 1.00 71.45 C ATOM 578 O SER A 37 15.008 -12.564 5.718 1.00 35.33 O ATOM 579 CB SER A 37 13.955 -10.122 6.850 1.00 74.34 C ATOM 580 OG SER A 37 13.438 -8.804 6.906 1.00 31.32 O ATOM 0 H SER A 37 14.461 -8.923 4.478 1.00 12.43 H new ATOM 0 HA SER A 37 16.091 -10.169 6.619 1.00 24.12 H new ATOM 0 HB2 SER A 37 13.197 -10.797 6.452 1.00 74.34 H new ATOM 0 HB3 SER A 37 14.191 -10.466 7.857 1.00 74.34 H new ATOM 0 HG SER A 37 12.636 -8.791 7.468 1.00 31.32 H new ATOM 586 N GLY A 38 15.471 -11.363 3.873 1.00 20.32 N ATOM 587 CA GLY A 38 15.505 -12.534 3.016 1.00 11.02 C ATOM 588 C GLY A 38 14.888 -12.274 1.656 1.00 44.13 C ATOM 589 O GLY A 38 15.161 -11.251 1.027 1.00 2.10 O ATOM 0 H GLY A 38 15.650 -10.478 3.398 1.00 20.32 H new ATOM 0 HA2 GLY A 38 16.538 -12.857 2.887 1.00 11.02 H new ATOM 0 HA3 GLY A 38 14.974 -13.352 3.502 1.00 11.02 H new ATOM 593 N VAL A 39 14.052 -13.202 1.199 1.00 25.01 N ATOM 594 CA VAL A 39 13.394 -13.069 -0.095 1.00 53.13 C ATOM 595 C VAL A 39 11.975 -13.625 -0.049 1.00 4.40 C ATOM 596 O VAL A 39 11.733 -14.687 0.525 1.00 12.03 O ATOM 597 CB VAL A 39 14.183 -13.792 -1.202 1.00 31.52 C ATOM 598 CG1 VAL A 39 14.037 -15.300 -1.064 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.720 -13.328 -2.575 1.00 44.20 C ATOM 0 H VAL A 39 13.815 -14.054 1.707 1.00 25.01 H new ATOM 0 HA VAL A 39 13.356 -12.004 -0.324 1.00 53.13 H new ATOM 0 HB VAL A 39 15.238 -13.541 -1.095 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.601 -15.794 -1.855 1.00 45.01 H new ATOM 0 HG12 VAL A 39 14.420 -15.615 -0.094 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.985 -15.573 -1.145 1.00 45.01 H new ATOM 0 HG21 VAL A 39 14.288 -13.849 -3.346 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.659 -13.548 -2.695 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.881 -12.254 -2.669 1.00 44.20 H new ATOM 609 N GLU A 40 11.042 -12.903 -0.659 1.00 32.42 N ATOM 610 CA GLU A 40 9.647 -13.324 -0.688 1.00 60.10 C ATOM 611 C GLU A 40 9.400 -14.310 -1.827 1.00 42.53 C ATOM 612 O GLU A 40 9.822 -14.081 -2.961 1.00 20.13 O ATOM 613 CB GLU A 40 8.727 -12.112 -0.839 1.00 24.13 C ATOM 614 CG GLU A 40 9.087 -10.956 0.079 1.00 11.04 C ATOM 615 CD GLU A 40 7.915 -10.028 0.338 1.00 24.31 C ATOM 616 OE1 GLU A 40 8.119 -8.985 0.993 1.00 60.43 O ATOM 617 OE2 GLU A 40 6.796 -10.346 -0.115 1.00 55.13 O1- ATOM 0 H GLU A 40 11.227 -12.023 -1.140 1.00 32.42 H new ATOM 0 HA GLU A 40 9.425 -13.822 0.256 1.00 60.10 H new ATOM 0 HB2 GLU A 40 8.760 -11.768 -1.873 1.00 24.13 H new ATOM 0 HB3 GLU A 40 7.700 -12.418 -0.638 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.450 -11.350 1.028 1.00 11.04 H new ATOM 0 HG3 GLU A 40 9.905 -10.387 -0.363 1.00 11.04 H new ATOM 624 N GLN A 41 8.713 -15.404 -1.517 1.00 42.11 N ATOM 625 CA GLN A 41 8.411 -16.424 -2.514 1.00 75.52 C ATOM 626 C GLN A 41 6.937 -16.385 -2.903 1.00 53.35 C ATOM 627 O GLN A 41 6.068 -16.163 -2.060 1.00 61.42 O ATOM 628 CB GLN A 41 8.773 -17.812 -1.981 1.00 53.24 C ATOM 629 CG GLN A 41 10.270 -18.039 -1.845 1.00 24.20 C ATOM 630 CD GLN A 41 10.862 -18.757 -3.041 1.00 1.24 C ATOM 631 OE1 GLN A 41 10.138 -19.320 -3.863 1.00 52.30 O ATOM 632 NE2 GLN A 41 12.186 -18.740 -3.147 1.00 4.21 N ATOM 0 H GLN A 41 8.355 -15.607 -0.584 1.00 42.11 H new ATOM 0 HA GLN A 41 9.008 -16.216 -3.402 1.00 75.52 H new ATOM 0 HB2 GLN A 41 8.303 -17.953 -1.008 1.00 53.24 H new ATOM 0 HB3 GLN A 41 8.358 -18.568 -2.648 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.769 -17.078 -1.719 1.00 24.20 H new ATOM 0 HG3 GLN A 41 10.465 -18.620 -0.944 1.00 24.20 H new ATOM 0 HE21 GLN A 41 12.748 -18.261 -2.443 1.00 4.21 H new ATOM 0 HE22 GLN A 41 12.641 -19.205 -3.932 1.00 4.21 H new ATOM 641 N TRP A 42 6.663 -16.602 -4.184 1.00 43.02 N ATOM 642 CA TRP A 42 5.293 -16.590 -4.685 1.00 5.44 C ATOM 643 C TRP A 42 5.154 -17.488 -5.910 1.00 60.44 C ATOM 644 O TRP A 42 6.085 -17.616 -6.707 1.00 11.52 O ATOM 645 CB TRP A 42 4.867 -15.163 -5.033 1.00 34.30 C ATOM 646 CG TRP A 42 4.825 -14.250 -3.846 1.00 73.05 C ATOM 647 CD1 TRP A 42 5.861 -13.522 -3.334 1.00 55.51 C ATOM 648 CD2 TRP A 42 3.689 -13.968 -3.022 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.437 -12.805 -2.241 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.109 -13.061 -2.030 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.357 -14.392 -3.027 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.244 -12.574 -1.053 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.500 -13.907 -2.058 1.00 35.41 C ATOM 654 CH2 TRP A 42 1.946 -13.005 -1.081 1.00 22.13 C ATOM 0 H TRP A 42 7.371 -16.788 -4.895 1.00 43.02 H new ATOM 0 HA TRP A 42 4.642 -16.974 -3.900 1.00 5.44 H new ATOM 0 HB2 TRP A 42 5.557 -14.755 -5.772 1.00 34.30 H new ATOM 0 HB3 TRP A 42 3.881 -15.189 -5.498 1.00 34.30 H new ATOM 0 HD1 TRP A 42 6.866 -13.511 -3.730 1.00 55.51 H new ATOM 0 HE1 TRP A 42 6.018 -12.183 -1.678 1.00 41.21 H new ATOM 0 HE3 TRP A 42 2.004 -15.086 -3.775 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 3.586 -11.880 -0.299 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.469 -14.228 -2.053 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.252 -12.644 -0.337 1.00 22.13 H new ATOM 665 N ILE A 43 3.988 -18.108 -6.054 1.00 22.22 N ATOM 666 CA ILE A 43 3.728 -18.993 -7.183 1.00 14.53 C ATOM 667 C ILE A 43 2.613 -18.445 -8.065 1.00 73.12 C ATOM 668 O ILE A 43 1.478 -18.274 -7.618 1.00 34.33 O ATOM 669 CB ILE A 43 3.347 -20.409 -6.712 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.372 -20.929 -5.702 1.00 31.22 C ATOM 671 CG2 ILE A 43 3.241 -21.352 -7.900 1.00 31.11 C ATOM 672 CD1 ILE A 43 3.767 -21.317 -4.372 1.00 2.14 C ATOM 0 H ILE A 43 3.208 -18.014 -5.403 1.00 22.22 H new ATOM 0 HA ILE A 43 4.651 -19.048 -7.761 1.00 14.53 H new ATOM 0 HB ILE A 43 2.374 -20.362 -6.222 1.00 20.41 H new ATOM 0 HG12 ILE A 43 4.881 -21.794 -6.126 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.129 -20.162 -5.538 1.00 31.22 H new ATOM 0 HG21 ILE A 43 2.971 -22.349 -7.551 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.476 -20.988 -8.586 1.00 31.11 H new ATOM 0 HG23 ILE A 43 4.200 -21.396 -8.416 1.00 31.11 H new ATOM 0 HD11 ILE A 43 4.552 -21.676 -3.706 1.00 2.14 H new ATOM 0 HD12 ILE A 43 3.282 -20.449 -3.926 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.030 -22.106 -4.524 1.00 2.14 H new ATOM 684 N VAL A 44 2.942 -18.173 -9.324 1.00 32.54 N ATOM 685 CA VAL A 44 1.967 -17.646 -10.273 1.00 1.41 C ATOM 686 C VAL A 44 1.842 -18.553 -11.492 1.00 62.00 C ATOM 687 O VAL A 44 2.689 -18.532 -12.384 1.00 64.24 O ATOM 688 CB VAL A 44 2.346 -16.228 -10.738 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.565 -15.183 -9.955 1.00 0.24 C ATOM 690 CG2 VAL A 44 3.844 -16.003 -10.595 1.00 14.24 C ATOM 0 H VAL A 44 3.876 -18.309 -9.711 1.00 32.54 H new ATOM 0 HA VAL A 44 1.009 -17.606 -9.754 1.00 1.41 H new ATOM 0 HB VAL A 44 2.086 -16.128 -11.792 1.00 75.11 H new ATOM 0 HG11 VAL A 44 1.846 -14.187 -10.297 1.00 0.24 H new ATOM 0 HG12 VAL A 44 0.497 -15.333 -10.113 1.00 0.24 H new ATOM 0 HG13 VAL A 44 1.792 -15.279 -8.893 1.00 0.24 H new ATOM 0 HG21 VAL A 44 4.094 -14.996 -10.928 1.00 14.24 H new ATOM 0 HG22 VAL A 44 4.132 -16.122 -9.550 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.381 -16.730 -11.204 1.00 14.24 H new ATOM 700 N ASP A 45 0.778 -19.349 -11.524 1.00 45.32 N ATOM 701 CA ASP A 45 0.539 -20.262 -12.636 1.00 21.31 C ATOM 702 C ASP A 45 -0.082 -19.529 -13.819 1.00 43.53 C ATOM 703 O ASP A 45 -0.724 -18.491 -13.652 1.00 12.42 O ATOM 704 CB ASP A 45 -0.373 -21.408 -12.195 1.00 64.12 C ATOM 705 CG ASP A 45 -1.434 -21.733 -13.227 1.00 63.33 C ATOM 706 OD1 ASP A 45 -1.286 -22.757 -13.929 1.00 21.05 O ATOM 707 OD2 ASP A 45 -2.412 -20.966 -13.333 1.00 51.12 O1- ATOM 0 H ASP A 45 0.068 -19.380 -10.793 1.00 45.32 H new ATOM 0 HA ASP A 45 1.499 -20.671 -12.950 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.230 -22.296 -12.006 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -0.855 -21.143 -11.254 1.00 64.12 H new ATOM 712 N LEU A 46 0.114 -20.072 -15.014 1.00 52.01 N ATOM 713 CA LEU A 46 -0.426 -19.469 -16.228 1.00 33.22 C ATOM 714 C LEU A 46 -1.504 -20.355 -16.844 1.00 13.22 C ATOM 715 O LEU A 46 -2.258 -19.920 -17.715 1.00 72.41 O ATOM 716 CB LEU A 46 0.693 -19.228 -17.243 1.00 61.21 C ATOM 717 CG LEU A 46 1.844 -20.234 -17.226 1.00 13.54 C ATOM 718 CD1 LEU A 46 2.454 -20.370 -18.612 1.00 24.32 C ATOM 719 CD2 LEU A 46 2.901 -19.818 -16.214 1.00 32.43 C ATOM 0 H LEU A 46 0.643 -20.930 -15.169 1.00 52.01 H new ATOM 0 HA LEU A 46 -0.877 -18.514 -15.959 1.00 33.22 H new ATOM 0 HB2 LEU A 46 0.256 -19.224 -18.241 1.00 61.21 H new ATOM 0 HB3 LEU A 46 1.104 -18.233 -17.071 1.00 61.21 H new ATOM 0 HG LEU A 46 1.448 -21.205 -16.929 1.00 13.54 H new ATOM 0 HD11 LEU A 46 3.272 -21.090 -18.581 1.00 24.32 H new ATOM 0 HD12 LEU A 46 1.693 -20.715 -19.312 1.00 24.32 H new ATOM 0 HD13 LEU A 46 2.835 -19.402 -18.938 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.713 -20.546 -16.216 1.00 32.43 H new ATOM 0 HD22 LEU A 46 3.293 -18.836 -16.480 1.00 32.43 H new ATOM 0 HD23 LEU A 46 2.456 -19.773 -15.220 1.00 32.43 H new ATOM 731 N LYS A 47 -1.573 -21.600 -16.385 1.00 32.14 N ATOM 732 CA LYS A 47 -2.562 -22.547 -16.887 1.00 73.41 C ATOM 733 C LYS A 47 -3.972 -22.120 -16.495 1.00 25.15 C ATOM 734 O LYS A 47 -4.865 -22.049 -17.340 1.00 30.54 O ATOM 735 CB LYS A 47 -2.273 -23.950 -16.346 1.00 12.14 C ATOM 736 CG LYS A 47 -0.804 -24.333 -16.401 1.00 71.22 C ATOM 737 CD LYS A 47 -0.615 -25.744 -16.930 1.00 44.04 C ATOM 738 CE LYS A 47 -0.534 -26.757 -15.799 1.00 52.41 C ATOM 739 NZ LYS A 47 -0.172 -28.114 -16.294 1.00 64.34 N1+ ATOM 0 H LYS A 47 -0.956 -21.977 -15.666 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.496 -22.562 -17.975 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -2.617 -24.010 -15.313 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.851 -24.677 -16.917 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -0.267 -23.630 -17.038 1.00 71.22 H new ATOM 0 HG3 LYS A 47 -0.369 -24.256 -15.404 1.00 71.22 H new ATOM 0 HD2 LYS A 47 -1.443 -26.000 -17.591 1.00 44.04 H new ATOM 0 HD3 LYS A 47 0.295 -25.791 -17.528 1.00 44.04 H new ATOM 0 HE2 LYS A 47 0.205 -26.428 -15.069 1.00 52.41 H new ATOM 0 HE3 LYS A 47 -1.493 -26.803 -15.283 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 -0.127 -28.775 -15.493 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 -0.891 -28.439 -16.972 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 0.755 -28.076 -16.764 1.00 64.34 H new ATOM 753 N GLN A 48 -4.165 -21.837 -15.211 1.00 45.21 N ATOM 754 CA GLN A 48 -5.468 -21.416 -14.709 1.00 10.22 C ATOM 755 C GLN A 48 -5.452 -19.942 -14.319 1.00 4.23 C ATOM 756 O GLN A 48 -6.471 -19.386 -13.908 1.00 2.01 O ATOM 757 CB GLN A 48 -5.875 -22.271 -13.507 1.00 63.24 C ATOM 758 CG GLN A 48 -5.983 -23.753 -13.822 1.00 72.31 C ATOM 759 CD GLN A 48 -6.524 -24.560 -12.659 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.684 -24.973 -12.661 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.684 -24.790 -11.656 1.00 43.10 N ATOM 0 H GLN A 48 -3.436 -21.891 -14.499 1.00 45.21 H new ATOM 0 HA GLN A 48 -6.198 -21.552 -15.507 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -5.146 -22.130 -12.709 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.834 -21.918 -13.129 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.632 -23.890 -14.687 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -5.000 -24.134 -14.097 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -4.731 -24.429 -11.696 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -5.992 -25.328 -10.846 1.00 43.10 H new ATOM 770 N LEU A 49 -4.288 -19.315 -14.448 1.00 40.44 N ATOM 771 CA LEU A 49 -4.138 -17.904 -14.108 1.00 12.54 C ATOM 772 C LEU A 49 -4.459 -17.661 -12.637 1.00 71.02 C ATOM 773 O LEU A 49 -5.442 -16.997 -12.306 1.00 2.15 O ATOM 774 CB LEU A 49 -5.049 -17.047 -14.989 1.00 75.10 C ATOM 775 CG LEU A 49 -4.866 -17.207 -16.499 1.00 14.43 C ATOM 776 CD1 LEU A 49 -3.389 -17.259 -16.856 1.00 31.41 C ATOM 777 CD2 LEU A 49 -5.580 -18.457 -16.993 1.00 22.10 C ATOM 0 H LEU A 49 -3.435 -19.761 -14.785 1.00 40.44 H new ATOM 0 HA LEU A 49 -3.100 -17.621 -14.286 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -6.085 -17.281 -14.742 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -4.889 -16.000 -14.733 1.00 75.10 H new ATOM 0 HG LEU A 49 -5.307 -16.341 -16.992 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -3.279 -17.373 -17.934 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -2.905 -16.336 -16.538 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -2.923 -18.106 -16.352 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -5.439 -18.555 -18.069 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -5.168 -19.333 -16.492 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -6.645 -18.379 -16.772 1.00 22.10 H new ATOM 789 N LYS A 50 -3.623 -18.201 -11.758 1.00 54.03 N ATOM 790 CA LYS A 50 -3.815 -18.041 -10.321 1.00 73.12 C ATOM 791 C LYS A 50 -2.521 -17.597 -9.645 1.00 13.13 C ATOM 792 O LYS A 50 -1.482 -17.468 -10.295 1.00 33.05 O ATOM 793 CB LYS A 50 -4.301 -19.353 -9.701 1.00 23.41 C ATOM 794 CG LYS A 50 -3.509 -20.568 -10.150 1.00 12.24 C ATOM 795 CD LYS A 50 -4.147 -21.860 -9.664 1.00 71.24 C ATOM 796 CE LYS A 50 -3.403 -22.434 -8.469 1.00 14.43 C ATOM 797 NZ LYS A 50 -3.943 -23.762 -8.064 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.805 -18.754 -12.015 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.570 -17.270 -10.165 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -4.245 -19.274 -8.615 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -5.350 -19.499 -9.957 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.444 -20.580 -11.238 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.489 -20.499 -9.771 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -5.186 -21.674 -9.392 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -4.155 -22.590 -10.474 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -2.345 -22.531 -8.713 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.475 -21.742 -7.630 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -3.409 -24.119 -7.246 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -4.946 -23.665 -7.807 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -3.851 -24.430 -8.856 1.00 41.23 H new ATOM 811 N VAL A 51 -2.589 -17.367 -8.338 1.00 11.01 N ATOM 812 CA VAL A 51 -1.422 -16.941 -7.574 1.00 51.13 C ATOM 813 C VAL A 51 -1.470 -17.483 -6.150 1.00 24.24 C ATOM 814 O VAL A 51 -2.530 -17.523 -5.525 1.00 11.33 O ATOM 815 CB VAL A 51 -1.315 -15.406 -7.524 1.00 74.54 C ATOM 816 CG1 VAL A 51 -2.654 -14.788 -7.151 1.00 60.22 C ATOM 817 CG2 VAL A 51 -0.231 -14.979 -6.546 1.00 51.31 C ATOM 0 H VAL A 51 -3.440 -17.469 -7.785 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.546 -17.343 -8.083 1.00 51.13 H new ATOM 0 HB VAL A 51 -1.040 -15.047 -8.516 1.00 74.54 H new ATOM 0 HG11 VAL A 51 -2.558 -13.703 -7.121 1.00 60.22 H new ATOM 0 HG12 VAL A 51 -3.402 -15.066 -7.893 1.00 60.22 H new ATOM 0 HG13 VAL A 51 -2.963 -15.152 -6.171 1.00 60.22 H new ATOM 0 HG21 VAL A 51 -0.169 -13.891 -6.524 1.00 51.31 H new ATOM 0 HG22 VAL A 51 -0.473 -15.349 -5.550 1.00 51.31 H new ATOM 0 HG23 VAL A 51 0.727 -15.390 -6.863 1.00 51.31 H new ATOM 827 N ASP A 52 -0.315 -17.900 -5.644 1.00 34.02 N ATOM 828 CA ASP A 52 -0.224 -18.439 -4.291 1.00 10.05 C ATOM 829 C ASP A 52 1.089 -18.029 -3.631 1.00 41.12 C ATOM 830 O ASP A 52 1.992 -17.515 -4.290 1.00 32.23 O ATOM 831 CB ASP A 52 -0.343 -19.963 -4.317 1.00 62.44 C ATOM 832 CG ASP A 52 -1.469 -20.441 -5.212 1.00 53.22 C ATOM 833 OD1 ASP A 52 -1.177 -20.940 -6.319 1.00 40.15 O ATOM 834 OD2 ASP A 52 -2.643 -20.316 -4.805 1.00 41.01 O1- ATOM 0 H ASP A 52 0.571 -17.876 -6.149 1.00 34.02 H new ATOM 0 HA ASP A 52 -1.047 -18.029 -3.706 1.00 10.05 H new ATOM 0 HB2 ASP A 52 0.598 -20.392 -4.661 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -0.508 -20.329 -3.304 1.00 62.44 H new ATOM 839 N GLN A 53 1.187 -18.261 -2.326 1.00 45.12 N ATOM 840 CA GLN A 53 2.389 -17.914 -1.576 1.00 63.05 C ATOM 841 C GLN A 53 3.323 -19.114 -1.461 1.00 31.52 C ATOM 842 O GLN A 53 2.889 -20.263 -1.544 1.00 43.42 O ATOM 843 CB GLN A 53 2.017 -17.407 -0.181 1.00 21.35 C ATOM 844 CG GLN A 53 2.727 -16.120 0.206 1.00 51.34 C ATOM 845 CD GLN A 53 3.569 -16.272 1.457 1.00 13.11 C ATOM 846 OE1 GLN A 53 3.102 -16.020 2.568 1.00 31.44 O ATOM 847 NE2 GLN A 53 4.818 -16.686 1.284 1.00 1.42 N ATOM 0 H GLN A 53 0.449 -18.688 -1.766 1.00 45.12 H new ATOM 0 HA GLN A 53 2.908 -17.122 -2.116 1.00 63.05 H new ATOM 0 HB2 GLN A 53 0.940 -17.246 -0.137 1.00 21.35 H new ATOM 0 HB3 GLN A 53 2.254 -18.178 0.552 1.00 21.35 H new ATOM 0 HG2 GLN A 53 3.363 -15.798 -0.619 1.00 51.34 H new ATOM 0 HG3 GLN A 53 1.988 -15.335 0.363 1.00 51.34 H new ATOM 0 HE21 GLN A 53 5.164 -16.884 0.345 1.00 1.42 H new ATOM 0 HE22 GLN A 53 5.432 -16.807 2.090 1.00 1.42 H new ATOM 856 N GLY A 54 4.610 -18.840 -1.270 1.00 60.23 N ATOM 857 CA GLY A 54 5.587 -19.906 -1.149 1.00 32.11 C ATOM 858 C GLY A 54 6.235 -20.254 -2.474 1.00 61.12 C ATOM 859 O GLY A 54 6.285 -19.427 -3.384 1.00 34.53 O ATOM 0 H GLY A 54 4.994 -17.898 -1.197 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.358 -19.608 -0.438 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.103 -20.793 -0.741 1.00 32.11 H new ATOM 863 N VAL A 55 6.735 -21.481 -2.582 1.00 63.32 N ATOM 864 CA VAL A 55 7.385 -21.936 -3.806 1.00 0.23 C ATOM 865 C VAL A 55 6.692 -23.172 -4.369 1.00 31.05 C ATOM 866 O VAL A 55 6.168 -23.998 -3.622 1.00 13.53 O ATOM 867 CB VAL A 55 8.870 -22.260 -3.565 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.017 -23.352 -2.518 1.00 35.12 C ATOM 869 CG2 VAL A 55 9.545 -22.664 -4.868 1.00 61.54 C ATOM 0 H VAL A 55 6.703 -22.177 -1.837 1.00 63.32 H new ATOM 0 HA VAL A 55 7.310 -21.121 -4.526 1.00 0.23 H new ATOM 0 HB VAL A 55 9.363 -21.363 -3.189 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.074 -23.567 -2.362 1.00 35.12 H new ATOM 0 HG12 VAL A 55 8.572 -23.019 -1.580 1.00 35.12 H new ATOM 0 HG13 VAL A 55 8.510 -24.254 -2.860 1.00 35.12 H new ATOM 0 HG21 VAL A 55 10.595 -22.890 -4.679 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.052 -23.547 -5.275 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.473 -21.845 -5.584 1.00 61.54 H new ATOM 879 N PHE A 56 6.692 -23.292 -5.692 1.00 21.01 N ATOM 880 CA PHE A 56 6.062 -24.428 -6.357 1.00 21.13 C ATOM 881 C PHE A 56 6.977 -25.649 -6.330 1.00 72.32 C ATOM 882 O PHE A 56 8.196 -25.522 -6.225 1.00 54.15 O ATOM 883 CB PHE A 56 5.713 -24.070 -7.803 1.00 15.22 C ATOM 884 CG PHE A 56 4.855 -25.097 -8.484 1.00 13.30 C ATOM 885 CD1 PHE A 56 3.694 -25.558 -7.885 1.00 53.50 C ATOM 886 CD2 PHE A 56 5.211 -25.604 -9.725 1.00 11.02 C ATOM 887 CE1 PHE A 56 2.903 -26.504 -8.509 1.00 22.55 C ATOM 888 CE2 PHE A 56 4.423 -26.548 -10.354 1.00 40.34 C ATOM 889 CZ PHE A 56 3.269 -27.000 -9.745 1.00 32.22 C ATOM 0 H PHE A 56 7.121 -22.617 -6.325 1.00 21.01 H new ATOM 0 HA PHE A 56 5.146 -24.670 -5.819 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.197 -23.110 -7.817 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.635 -23.944 -8.371 1.00 15.22 H new ATOM 0 HD1 PHE A 56 3.403 -25.173 -6.919 1.00 53.50 H new ATOM 0 HD2 PHE A 56 6.114 -25.257 -10.205 1.00 11.02 H new ATOM 0 HE1 PHE A 56 2.000 -26.855 -8.031 1.00 22.55 H new ATOM 0 HE2 PHE A 56 4.709 -26.932 -11.322 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.654 -27.740 -10.234 1.00 32.22 H new ATOM 899 N ALA A 57 6.378 -26.831 -6.425 1.00 32.10 N ATOM 900 CA ALA A 57 7.137 -28.076 -6.414 1.00 4.40 C ATOM 901 C ALA A 57 8.243 -28.054 -7.464 1.00 45.14 C ATOM 902 O ALA A 57 9.311 -28.631 -7.265 1.00 5.11 O ATOM 903 CB ALA A 57 6.211 -29.261 -6.642 1.00 15.14 C ATOM 0 H ALA A 57 5.369 -26.953 -6.510 1.00 32.10 H new ATOM 0 HA ALA A 57 7.605 -28.179 -5.435 1.00 4.40 H new ATOM 0 HB1 ALA A 57 6.791 -30.184 -6.631 1.00 15.14 H new ATOM 0 HB2 ALA A 57 5.462 -29.295 -5.851 1.00 15.14 H new ATOM 0 HB3 ALA A 57 5.716 -29.155 -7.607 1.00 15.14 H new ATOM 909 N SER A 58 7.977 -27.385 -8.582 1.00 54.32 N ATOM 910 CA SER A 58 8.948 -27.293 -9.666 1.00 12.25 C ATOM 911 C SER A 58 8.400 -26.453 -10.816 1.00 23.03 C ATOM 912 O SER A 58 7.842 -26.969 -11.784 1.00 74.33 O ATOM 913 CB SER A 58 9.316 -28.690 -10.170 1.00 24.15 C ATOM 914 OG SER A 58 10.585 -29.090 -9.682 1.00 63.33 O ATOM 0 H SER A 58 7.098 -26.899 -8.760 1.00 54.32 H new ATOM 0 HA SER A 58 9.843 -26.807 -9.278 1.00 12.25 H new ATOM 0 HB2 SER A 58 8.558 -29.406 -9.852 1.00 24.15 H new ATOM 0 HB3 SER A 58 9.323 -28.697 -11.260 1.00 24.15 H new ATOM 0 HG SER A 58 10.581 -29.067 -8.702 1.00 63.33 H new ATOM 920 N PRO A 59 8.563 -25.126 -10.708 1.00 64.12 N ATOM 921 CA PRO A 59 8.092 -24.186 -11.729 1.00 73.32 C ATOM 922 C PRO A 59 8.900 -24.278 -13.019 1.00 23.22 C ATOM 923 O PRO A 59 10.026 -24.777 -13.023 1.00 4.44 O ATOM 924 CB PRO A 59 8.292 -22.818 -11.071 1.00 61.42 C ATOM 925 CG PRO A 59 9.382 -23.032 -10.077 1.00 4.13 C ATOM 926 CD PRO A 59 9.220 -24.442 -9.581 1.00 10.03 C ATOM 0 HA PRO A 59 7.062 -24.387 -12.023 1.00 73.32 H new ATOM 0 HB2 PRO A 59 8.569 -22.062 -11.806 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.378 -22.473 -10.588 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.361 -22.890 -10.535 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.307 -22.319 -9.256 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.181 -24.896 -9.340 1.00 10.03 H new ATOM 0 HD3 PRO A 59 8.613 -24.483 -8.677 1.00 10.03 H new ATOM 934 N ASP A 60 8.318 -23.796 -14.111 1.00 20.31 N ATOM 935 CA ASP A 60 8.985 -23.824 -15.408 1.00 71.05 C ATOM 936 C ASP A 60 9.974 -22.669 -15.535 1.00 72.31 C ATOM 937 O ASP A 60 10.899 -22.716 -16.347 1.00 5.43 O ATOM 938 CB ASP A 60 7.955 -23.756 -16.537 1.00 60.31 C ATOM 939 CG ASP A 60 8.298 -24.679 -17.689 1.00 74.41 C ATOM 940 OD1 ASP A 60 9.464 -25.118 -17.772 1.00 62.40 O ATOM 941 OD2 ASP A 60 7.398 -24.962 -18.508 1.00 72.43 O1- ATOM 0 H ASP A 60 7.386 -23.381 -14.125 1.00 20.31 H new ATOM 0 HA ASP A 60 9.536 -24.761 -15.486 1.00 71.05 H new ATOM 0 HB2 ASP A 60 6.972 -24.019 -16.145 1.00 60.31 H new ATOM 0 HB3 ASP A 60 7.889 -22.732 -16.903 1.00 60.31 H new ATOM 946 N VAL A 61 9.773 -21.631 -14.728 1.00 23.13 N ATOM 947 CA VAL A 61 10.646 -20.465 -14.750 1.00 4.42 C ATOM 948 C VAL A 61 10.729 -19.814 -13.374 1.00 2.01 C ATOM 949 O VAL A 61 9.773 -19.854 -12.597 1.00 3.25 O ATOM 950 CB VAL A 61 10.161 -19.419 -15.772 1.00 33.32 C ATOM 951 CG1 VAL A 61 11.029 -18.172 -15.713 1.00 0.55 C ATOM 952 CG2 VAL A 61 10.155 -20.009 -17.174 1.00 33.43 C ATOM 0 H VAL A 61 9.012 -21.575 -14.051 1.00 23.13 H new ATOM 0 HA VAL A 61 11.635 -20.817 -15.043 1.00 4.42 H new ATOM 0 HB VAL A 61 9.140 -19.133 -15.518 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.671 -17.445 -16.442 1.00 0.55 H new ATOM 0 HG12 VAL A 61 10.977 -17.740 -14.714 1.00 0.55 H new ATOM 0 HG13 VAL A 61 12.062 -18.436 -15.941 1.00 0.55 H new ATOM 0 HG21 VAL A 61 9.810 -19.257 -17.884 1.00 33.43 H new ATOM 0 HG22 VAL A 61 11.164 -20.324 -17.441 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.487 -20.870 -17.204 1.00 33.43 H new ATOM 962 N THR A 62 11.876 -19.213 -13.077 1.00 50.24 N ATOM 963 CA THR A 62 12.085 -18.553 -11.794 1.00 14.23 C ATOM 964 C THR A 62 12.428 -17.080 -11.983 1.00 31.34 C ATOM 965 O THR A 62 13.502 -16.741 -12.479 1.00 52.43 O ATOM 966 CB THR A 62 13.209 -19.232 -10.990 1.00 64.24 C ATOM 967 OG1 THR A 62 13.343 -20.600 -11.392 1.00 4.13 O ATOM 968 CG2 THR A 62 12.925 -19.163 -9.497 1.00 53.40 C ATOM 0 H THR A 62 12.676 -19.169 -13.708 1.00 50.24 H new ATOM 0 HA THR A 62 11.151 -18.637 -11.239 1.00 14.23 H new ATOM 0 HB THR A 62 14.140 -18.702 -11.192 1.00 64.24 H new ATOM 0 HG1 THR A 62 14.061 -21.023 -10.877 1.00 4.13 H new ATOM 0 HG21 THR A 62 13.733 -19.649 -8.950 1.00 53.40 H new ATOM 0 HG22 THR A 62 12.854 -18.120 -9.188 1.00 53.40 H new ATOM 0 HG23 THR A 62 11.985 -19.670 -9.282 1.00 53.40 H new ATOM 976 N VAL A 63 11.508 -16.207 -11.583 1.00 71.42 N ATOM 977 CA VAL A 63 11.715 -14.770 -11.706 1.00 52.44 C ATOM 978 C VAL A 63 12.349 -14.195 -10.445 1.00 12.25 C ATOM 979 O VAL A 63 11.860 -14.413 -9.336 1.00 15.12 O ATOM 980 CB VAL A 63 10.390 -14.034 -11.983 1.00 74.33 C ATOM 981 CG1 VAL A 63 10.596 -12.527 -11.944 1.00 23.22 C ATOM 982 CG2 VAL A 63 9.810 -14.466 -13.321 1.00 54.53 C ATOM 0 H VAL A 63 10.613 -16.471 -11.171 1.00 71.42 H new ATOM 0 HA VAL A 63 12.390 -14.619 -12.549 1.00 52.44 H new ATOM 0 HB VAL A 63 9.678 -14.299 -11.201 1.00 74.33 H new ATOM 0 HG11 VAL A 63 9.649 -12.025 -12.142 1.00 23.22 H new ATOM 0 HG12 VAL A 63 10.963 -12.235 -10.960 1.00 23.22 H new ATOM 0 HG13 VAL A 63 11.324 -12.240 -12.702 1.00 23.22 H new ATOM 0 HG21 VAL A 63 8.874 -13.936 -13.500 1.00 54.53 H new ATOM 0 HG22 VAL A 63 10.517 -14.232 -14.117 1.00 54.53 H new ATOM 0 HG23 VAL A 63 9.622 -15.540 -13.306 1.00 54.53 H new ATOM 992 N THR A 64 13.442 -13.459 -10.620 1.00 21.22 N ATOM 993 CA THR A 64 14.143 -12.852 -9.496 1.00 44.01 C ATOM 994 C THR A 64 14.234 -11.339 -9.656 1.00 25.10 C ATOM 995 O THR A 64 14.977 -10.837 -10.499 1.00 72.04 O ATOM 996 CB THR A 64 15.565 -13.427 -9.347 1.00 34.33 C ATOM 997 OG1 THR A 64 15.779 -14.463 -10.312 1.00 1.35 O ATOM 998 CG2 THR A 64 15.779 -13.981 -7.946 1.00 73.53 C ATOM 0 H THR A 64 13.861 -13.269 -11.530 1.00 21.22 H new ATOM 0 HA THR A 64 13.567 -13.085 -8.600 1.00 44.01 H new ATOM 0 HB THR A 64 16.279 -12.621 -9.516 1.00 34.33 H new ATOM 0 HG1 THR A 64 16.685 -14.822 -10.211 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.789 -14.382 -7.864 1.00 73.53 H new ATOM 0 HG22 THR A 64 15.644 -13.184 -7.215 1.00 73.53 H new ATOM 0 HG23 THR A 64 15.057 -14.775 -7.755 1.00 73.53 H new ATOM 1006 N VAL A 65 13.474 -10.616 -8.840 1.00 24.10 N ATOM 1007 CA VAL A 65 13.470 -9.159 -8.889 1.00 44.40 C ATOM 1008 C VAL A 65 13.667 -8.561 -7.500 1.00 72.43 C ATOM 1009 O VAL A 65 13.585 -9.263 -6.493 1.00 51.43 O ATOM 1010 CB VAL A 65 12.155 -8.621 -9.485 1.00 33.51 C ATOM 1011 CG1 VAL A 65 12.191 -8.692 -11.005 1.00 53.11 C ATOM 1012 CG2 VAL A 65 10.966 -9.394 -8.936 1.00 61.51 C ATOM 0 H VAL A 65 12.853 -11.016 -8.137 1.00 24.10 H new ATOM 0 HA VAL A 65 14.300 -8.862 -9.530 1.00 44.40 H new ATOM 0 HB VAL A 65 12.045 -7.576 -9.195 1.00 33.51 H new ATOM 0 HG11 VAL A 65 11.254 -8.308 -11.409 1.00 53.11 H new ATOM 0 HG12 VAL A 65 13.021 -8.091 -11.378 1.00 53.11 H new ATOM 0 HG13 VAL A 65 12.324 -9.728 -11.318 1.00 53.11 H new ATOM 0 HG21 VAL A 65 10.046 -9.001 -9.368 1.00 61.51 H new ATOM 0 HG22 VAL A 65 11.067 -10.448 -9.195 1.00 61.51 H new ATOM 0 HG23 VAL A 65 10.932 -9.288 -7.852 1.00 61.51 H new ATOM 1022 N GLY A 66 13.926 -7.258 -7.454 1.00 71.14 N ATOM 1023 CA GLY A 66 14.130 -6.587 -6.184 1.00 41.23 C ATOM 1024 C GLY A 66 12.857 -5.966 -5.644 1.00 23.54 C ATOM 1025 O GLY A 66 11.876 -5.812 -6.373 1.00 73.14 O ATOM 0 H GLY A 66 13.998 -6.655 -8.274 1.00 71.14 H new ATOM 0 HA2 GLY A 66 14.518 -7.301 -5.458 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.886 -5.811 -6.304 1.00 41.23 H new ATOM 1029 N LEU A 67 12.870 -5.611 -4.365 1.00 13.24 N ATOM 1030 CA LEU A 67 11.707 -5.004 -3.727 1.00 45.22 C ATOM 1031 C LEU A 67 11.322 -3.701 -4.420 1.00 21.23 C ATOM 1032 O LEU A 67 10.226 -3.577 -4.965 1.00 45.23 O ATOM 1033 CB LEU A 67 11.990 -4.744 -2.247 1.00 52.23 C ATOM 1034 CG LEU A 67 10.794 -4.871 -1.302 1.00 43.21 C ATOM 1035 CD1 LEU A 67 10.404 -6.330 -1.127 1.00 15.22 C ATOM 1036 CD2 LEU A 67 11.109 -4.236 0.045 1.00 21.12 C ATOM 0 H LEU A 67 13.673 -5.733 -3.748 1.00 13.24 H new ATOM 0 HA LEU A 67 10.872 -5.700 -3.814 1.00 45.22 H new ATOM 0 HB2 LEU A 67 12.763 -5.439 -1.918 1.00 52.23 H new ATOM 0 HB3 LEU A 67 12.401 -3.739 -2.147 1.00 52.23 H new ATOM 0 HG LEU A 67 9.950 -4.341 -1.743 1.00 43.21 H new ATOM 0 HD11 LEU A 67 9.551 -6.400 -0.451 1.00 15.22 H new ATOM 0 HD12 LEU A 67 10.136 -6.754 -2.095 1.00 15.22 H new ATOM 0 HD13 LEU A 67 11.245 -6.884 -0.709 1.00 15.22 H new ATOM 0 HD21 LEU A 67 10.247 -4.336 0.705 1.00 21.12 H new ATOM 0 HD22 LEU A 67 11.968 -4.737 0.492 1.00 21.12 H new ATOM 0 HD23 LEU A 67 11.338 -3.180 -0.095 1.00 21.12 H new ATOM 1048 N GLU A 68 12.234 -2.734 -4.399 1.00 23.10 N ATOM 1049 CA GLU A 68 11.990 -1.442 -5.027 1.00 24.34 C ATOM 1050 C GLU A 68 11.738 -1.602 -6.524 1.00 61.31 C ATOM 1051 O GLU A 68 10.956 -0.858 -7.116 1.00 21.23 O ATOM 1052 CB GLU A 68 13.179 -0.506 -4.798 1.00 2.03 C ATOM 1053 CG GLU A 68 13.464 -0.232 -3.330 1.00 62.33 C ATOM 1054 CD GLU A 68 13.706 1.237 -3.047 1.00 54.24 C ATOM 1055 OE1 GLU A 68 12.920 1.831 -2.278 1.00 72.13 O ATOM 1056 OE2 GLU A 68 14.681 1.795 -3.594 1.00 60.41 O1- ATOM 0 H GLU A 68 13.148 -2.821 -3.954 1.00 23.10 H new ATOM 0 HA GLU A 68 11.100 -1.008 -4.570 1.00 24.34 H new ATOM 0 HB2 GLU A 68 14.067 -0.941 -5.257 1.00 2.03 H new ATOM 0 HB3 GLU A 68 12.989 0.440 -5.305 1.00 2.03 H new ATOM 0 HG2 GLU A 68 12.624 -0.580 -2.730 1.00 62.33 H new ATOM 0 HG3 GLU A 68 14.337 -0.806 -3.020 1.00 62.33 H new ATOM 1063 N ASP A 69 12.404 -2.580 -7.127 1.00 20.45 N ATOM 1064 CA ASP A 69 12.252 -2.840 -8.555 1.00 42.22 C ATOM 1065 C ASP A 69 10.782 -3.009 -8.923 1.00 43.43 C ATOM 1066 O ASP A 69 10.270 -2.323 -9.808 1.00 14.14 O ATOM 1067 CB ASP A 69 13.039 -4.090 -8.953 1.00 71.20 C ATOM 1068 CG ASP A 69 14.501 -4.003 -8.564 1.00 61.35 C ATOM 1069 OD1 ASP A 69 15.196 -5.039 -8.631 1.00 51.33 O ATOM 1070 OD2 ASP A 69 14.952 -2.899 -8.194 1.00 23.21 O1- ATOM 0 H ASP A 69 13.054 -3.206 -6.651 1.00 20.45 H new ATOM 0 HA ASP A 69 12.647 -1.983 -9.100 1.00 42.22 H new ATOM 0 HB2 ASP A 69 12.591 -4.964 -8.479 1.00 71.20 H new ATOM 0 HB3 ASP A 69 12.961 -4.237 -10.030 1.00 71.20 H new ATOM 1075 N MET A 70 10.109 -3.929 -8.239 1.00 54.02 N ATOM 1076 CA MET A 70 8.695 -4.188 -8.494 1.00 40.11 C ATOM 1077 C MET A 70 7.844 -2.983 -8.108 1.00 33.44 C ATOM 1078 O MET A 70 6.926 -2.601 -8.836 1.00 2.01 O ATOM 1079 CB MET A 70 8.234 -5.423 -7.719 1.00 64.44 C ATOM 1080 CG MET A 70 7.429 -6.402 -8.558 1.00 53.12 C ATOM 1081 SD MET A 70 7.778 -8.121 -8.145 1.00 44.35 S ATOM 1082 CE MET A 70 6.986 -8.965 -9.513 1.00 74.02 C ATOM 0 H MET A 70 10.518 -4.507 -7.505 1.00 54.02 H new ATOM 0 HA MET A 70 8.571 -4.371 -9.561 1.00 40.11 H new ATOM 0 HB2 MET A 70 9.107 -5.936 -7.316 1.00 64.44 H new ATOM 0 HB3 MET A 70 7.631 -5.104 -6.869 1.00 64.44 H new ATOM 0 HG2 MET A 70 6.366 -6.207 -8.417 1.00 53.12 H new ATOM 0 HG3 MET A 70 7.646 -6.235 -9.613 1.00 53.12 H new ATOM 0 HE1 MET A 70 7.469 -9.928 -9.675 1.00 74.02 H new ATOM 0 HE2 MET A 70 5.932 -9.122 -9.283 1.00 74.02 H new ATOM 0 HE3 MET A 70 7.074 -8.359 -10.415 1.00 74.02 H new ATOM 1092 N LEU A 71 8.152 -2.388 -6.961 1.00 4.41 N ATOM 1093 CA LEU A 71 7.414 -1.226 -6.479 1.00 52.32 C ATOM 1094 C LEU A 71 7.330 -0.149 -7.555 1.00 50.24 C ATOM 1095 O LEU A 71 6.283 0.464 -7.755 1.00 51.41 O ATOM 1096 CB LEU A 71 8.080 -0.659 -5.223 1.00 73.33 C ATOM 1097 CG LEU A 71 8.050 -1.555 -3.985 1.00 72.22 C ATOM 1098 CD1 LEU A 71 9.081 -1.093 -2.967 1.00 1.03 C ATOM 1099 CD2 LEU A 71 6.658 -1.568 -3.370 1.00 30.51 C ATOM 0 H LEU A 71 8.908 -2.691 -6.347 1.00 4.41 H new ATOM 0 HA LEU A 71 6.402 -1.546 -6.233 1.00 52.32 H new ATOM 0 HB2 LEU A 71 9.120 -0.433 -5.458 1.00 73.33 H new ATOM 0 HB3 LEU A 71 7.597 0.286 -4.975 1.00 73.33 H new ATOM 0 HG LEU A 71 8.300 -2.571 -4.289 1.00 72.22 H new ATOM 0 HD11 LEU A 71 9.045 -1.743 -2.092 1.00 1.03 H new ATOM 0 HD12 LEU A 71 10.076 -1.137 -3.411 1.00 1.03 H new ATOM 0 HD13 LEU A 71 8.862 -0.068 -2.667 1.00 1.03 H new ATOM 0 HD21 LEU A 71 6.655 -2.211 -2.490 1.00 30.51 H new ATOM 0 HD22 LEU A 71 6.379 -0.555 -3.080 1.00 30.51 H new ATOM 0 HD23 LEU A 71 5.942 -1.947 -4.099 1.00 30.51 H new ATOM 1111 N ALA A 72 8.442 0.076 -8.248 1.00 72.12 N ATOM 1112 CA ALA A 72 8.494 1.076 -9.307 1.00 10.33 C ATOM 1113 C ALA A 72 7.478 0.768 -10.402 1.00 3.31 C ATOM 1114 O ALA A 72 6.860 1.675 -10.960 1.00 20.22 O ATOM 1115 CB ALA A 72 9.897 1.153 -9.892 1.00 1.25 C ATOM 0 H ALA A 72 9.319 -0.421 -8.095 1.00 72.12 H new ATOM 0 HA ALA A 72 8.240 2.043 -8.873 1.00 10.33 H new ATOM 0 HB1 ALA A 72 9.921 1.904 -10.682 1.00 1.25 H new ATOM 0 HB2 ALA A 72 10.603 1.428 -9.109 1.00 1.25 H new ATOM 0 HB3 ALA A 72 10.173 0.183 -10.305 1.00 1.25 H new ATOM 1121 N ILE A 73 7.313 -0.515 -10.705 1.00 10.35 N ATOM 1122 CA ILE A 73 6.372 -0.941 -11.734 1.00 70.44 C ATOM 1123 C ILE A 73 4.931 -0.795 -11.255 1.00 3.41 C ATOM 1124 O ILE A 73 4.158 -0.015 -11.810 1.00 51.33 O ATOM 1125 CB ILE A 73 6.617 -2.403 -12.151 1.00 2.34 C ATOM 1126 CG1 ILE A 73 8.116 -2.665 -12.313 1.00 5.34 C ATOM 1127 CG2 ILE A 73 5.877 -2.717 -13.444 1.00 52.42 C ATOM 1128 CD1 ILE A 73 8.434 -4.034 -12.872 1.00 20.44 C ATOM 0 H ILE A 73 7.818 -1.277 -10.253 1.00 10.35 H new ATOM 0 HA ILE A 73 6.533 -0.294 -12.597 1.00 70.44 H new ATOM 0 HB ILE A 73 6.234 -3.058 -11.368 1.00 2.34 H new ATOM 0 HG12 ILE A 73 8.540 -1.906 -12.970 1.00 5.34 H new ATOM 0 HG13 ILE A 73 8.602 -2.555 -11.344 1.00 5.34 H new ATOM 0 HG21 ILE A 73 6.060 -3.754 -13.725 1.00 52.42 H new ATOM 0 HG22 ILE A 73 4.808 -2.564 -13.298 1.00 52.42 H new ATOM 0 HG23 ILE A 73 6.233 -2.058 -14.236 1.00 52.42 H new ATOM 0 HD11 ILE A 73 9.514 -4.149 -12.959 1.00 20.44 H new ATOM 0 HD12 ILE A 73 8.040 -4.800 -12.204 1.00 20.44 H new ATOM 0 HD13 ILE A 73 7.977 -4.140 -13.856 1.00 20.44 H new ATOM 1140 N SER A 74 4.579 -1.551 -10.221 1.00 34.22 N ATOM 1141 CA SER A 74 3.230 -1.508 -9.668 1.00 34.44 C ATOM 1142 C SER A 74 2.841 -0.082 -9.291 1.00 12.00 C ATOM 1143 O SER A 74 1.663 0.270 -9.277 1.00 4.54 O ATOM 1144 CB SER A 74 3.130 -2.417 -8.441 1.00 32.15 C ATOM 1145 OG SER A 74 2.104 -1.981 -7.565 1.00 43.53 O ATOM 0 H SER A 74 5.208 -2.200 -9.749 1.00 34.22 H new ATOM 0 HA SER A 74 2.540 -1.864 -10.433 1.00 34.44 H new ATOM 0 HB2 SER A 74 2.931 -3.441 -8.758 1.00 32.15 H new ATOM 0 HB3 SER A 74 4.084 -2.427 -7.913 1.00 32.15 H new ATOM 0 HG SER A 74 2.490 -1.768 -6.690 1.00 43.53 H new ATOM 1151 N GLY A 75 3.845 0.737 -8.987 1.00 30.23 N ATOM 1152 CA GLY A 75 3.589 2.115 -8.613 1.00 71.54 C ATOM 1153 C GLY A 75 3.430 3.022 -9.818 1.00 52.41 C ATOM 1154 O GLY A 75 3.508 4.245 -9.699 1.00 72.55 O ATOM 0 H GLY A 75 4.829 0.470 -8.993 1.00 30.23 H new ATOM 0 HA2 GLY A 75 2.685 2.162 -8.005 1.00 71.54 H new ATOM 0 HA3 GLY A 75 4.409 2.479 -7.994 1.00 71.54 H new ATOM 1158 N LYS A 76 3.207 2.422 -10.982 1.00 72.22 N ATOM 1159 CA LYS A 76 3.037 3.182 -12.215 1.00 63.32 C ATOM 1160 C LYS A 76 4.122 4.245 -12.353 1.00 4.25 C ATOM 1161 O LYS A 76 3.896 5.306 -12.937 1.00 51.51 O ATOM 1162 CB LYS A 76 1.656 3.840 -12.246 1.00 43.21 C ATOM 1163 CG LYS A 76 1.505 4.984 -11.258 1.00 10.13 C ATOM 1164 CD LYS A 76 0.356 5.902 -11.638 1.00 41.34 C ATOM 1165 CE LYS A 76 0.845 7.307 -11.954 1.00 40.22 C ATOM 1166 NZ LYS A 76 -0.239 8.318 -11.806 1.00 53.25 N1+ ATOM 0 H LYS A 76 3.140 1.411 -11.098 1.00 72.22 H new ATOM 0 HA LYS A 76 3.122 2.491 -13.053 1.00 63.32 H new ATOM 0 HB2 LYS A 76 1.463 4.212 -13.252 1.00 43.21 H new ATOM 0 HB3 LYS A 76 0.898 3.086 -12.034 1.00 43.21 H new ATOM 0 HG2 LYS A 76 1.336 4.583 -10.259 1.00 10.13 H new ATOM 0 HG3 LYS A 76 2.432 5.557 -11.219 1.00 10.13 H new ATOM 0 HD2 LYS A 76 -0.166 5.494 -12.504 1.00 41.34 H new ATOM 0 HD3 LYS A 76 -0.365 5.942 -10.821 1.00 41.34 H new ATOM 0 HE2 LYS A 76 1.672 7.561 -11.291 1.00 40.22 H new ATOM 0 HE3 LYS A 76 1.232 7.336 -12.972 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 0.134 9.263 -12.030 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 -1.018 8.090 -12.457 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 -0.592 8.308 -10.828 1.00 53.25 H new ATOM 1180 N THR A 77 5.302 3.955 -11.813 1.00 13.43 N ATOM 1181 CA THR A 77 6.421 4.886 -11.876 1.00 43.43 C ATOM 1182 C THR A 77 7.428 4.463 -12.940 1.00 63.21 C ATOM 1183 O THR A 77 8.068 5.304 -13.572 1.00 21.54 O ATOM 1184 CB THR A 77 7.141 4.991 -10.518 1.00 71.41 C ATOM 1185 OG1 THR A 77 6.361 5.777 -9.611 1.00 24.34 O ATOM 1186 CG2 THR A 77 8.518 5.615 -10.684 1.00 61.23 C ATOM 0 H THR A 77 5.507 3.082 -11.327 1.00 13.43 H new ATOM 0 HA THR A 77 6.008 5.860 -12.137 1.00 43.43 H new ATOM 0 HB THR A 77 7.262 3.985 -10.115 1.00 71.41 H new ATOM 0 HG1 THR A 77 5.451 5.416 -9.564 1.00 24.34 H new ATOM 0 HG21 THR A 77 9.008 5.679 -9.712 1.00 61.23 H new ATOM 0 HG22 THR A 77 9.118 4.999 -11.353 1.00 61.23 H new ATOM 0 HG23 THR A 77 8.416 6.615 -11.106 1.00 61.23 H new ATOM 1194 N LEU A 78 7.562 3.156 -13.135 1.00 61.23 N ATOM 1195 CA LEU A 78 8.491 2.621 -14.125 1.00 64.41 C ATOM 1196 C LEU A 78 7.831 1.525 -14.954 1.00 4.21 C ATOM 1197 O LEU A 78 6.739 1.056 -14.629 1.00 64.35 O ATOM 1198 CB LEU A 78 9.742 2.073 -13.435 1.00 40.00 C ATOM 1199 CG LEU A 78 11.025 2.080 -14.267 1.00 14.14 C ATOM 1200 CD1 LEU A 78 12.133 2.819 -13.533 1.00 21.42 C ATOM 1201 CD2 LEU A 78 11.456 0.658 -14.596 1.00 52.03 C ATOM 0 H LEU A 78 7.039 2.447 -12.621 1.00 61.23 H new ATOM 0 HA LEU A 78 8.779 3.432 -14.794 1.00 64.41 H new ATOM 0 HB2 LEU A 78 9.917 2.654 -12.529 1.00 40.00 H new ATOM 0 HB3 LEU A 78 9.541 1.048 -13.123 1.00 40.00 H new ATOM 0 HG LEU A 78 10.826 2.603 -15.202 1.00 14.14 H new ATOM 0 HD11 LEU A 78 13.038 2.814 -14.140 1.00 21.42 H new ATOM 0 HD12 LEU A 78 11.825 3.848 -13.350 1.00 21.42 H new ATOM 0 HD13 LEU A 78 12.331 2.325 -12.582 1.00 21.42 H new ATOM 0 HD21 LEU A 78 12.371 0.683 -15.188 1.00 52.03 H new ATOM 0 HD22 LEU A 78 11.637 0.110 -13.672 1.00 52.03 H new ATOM 0 HD23 LEU A 78 10.669 0.162 -15.164 1.00 52.03 H new ATOM 1213 N THR A 79 8.502 1.117 -16.028 1.00 53.44 N ATOM 1214 CA THR A 79 7.982 0.075 -16.904 1.00 2.24 C ATOM 1215 C THR A 79 8.963 -1.086 -17.019 1.00 31.21 C ATOM 1216 O THR A 79 10.176 -0.896 -16.944 1.00 53.42 O ATOM 1217 CB THR A 79 7.683 0.623 -18.312 1.00 73.11 C ATOM 1218 OG1 THR A 79 8.901 1.013 -18.954 1.00 25.35 O ATOM 1219 CG2 THR A 79 6.737 1.812 -18.241 1.00 71.32 C ATOM 0 H THR A 79 9.407 1.493 -16.311 1.00 53.44 H new ATOM 0 HA THR A 79 7.054 -0.281 -16.457 1.00 2.24 H new ATOM 0 HB THR A 79 7.204 -0.167 -18.891 1.00 73.11 H new ATOM 0 HG1 THR A 79 8.703 1.359 -19.849 1.00 25.35 H new ATOM 0 HG21 THR A 79 6.541 2.182 -19.248 1.00 71.32 H new ATOM 0 HG22 THR A 79 5.799 1.504 -17.778 1.00 71.32 H new ATOM 0 HG23 THR A 79 7.192 2.604 -17.646 1.00 71.32 H new ATOM 1227 N VAL A 80 8.429 -2.289 -17.204 1.00 5.33 N ATOM 1228 CA VAL A 80 9.259 -3.482 -17.333 1.00 10.20 C ATOM 1229 C VAL A 80 10.349 -3.283 -18.380 1.00 63.11 C ATOM 1230 O VAL A 80 11.479 -3.736 -18.209 1.00 72.02 O ATOM 1231 CB VAL A 80 8.415 -4.714 -17.713 1.00 1.42 C ATOM 1232 CG1 VAL A 80 9.297 -5.947 -17.836 1.00 32.31 C ATOM 1233 CG2 VAL A 80 7.310 -4.937 -16.691 1.00 54.23 C ATOM 0 H VAL A 80 7.426 -2.464 -17.268 1.00 5.33 H new ATOM 0 HA VAL A 80 9.721 -3.653 -16.361 1.00 10.20 H new ATOM 0 HB VAL A 80 7.951 -4.531 -18.682 1.00 1.42 H new ATOM 0 HG11 VAL A 80 8.684 -6.807 -18.105 1.00 32.31 H new ATOM 0 HG12 VAL A 80 10.048 -5.781 -18.608 1.00 32.31 H new ATOM 0 HG13 VAL A 80 9.791 -6.137 -16.883 1.00 32.31 H new ATOM 0 HG21 VAL A 80 6.723 -5.811 -16.974 1.00 54.23 H new ATOM 0 HG22 VAL A 80 7.751 -5.099 -15.708 1.00 54.23 H new ATOM 0 HG23 VAL A 80 6.663 -4.061 -16.658 1.00 54.23 H new ATOM 1243 N GLY A 81 10.001 -2.600 -19.467 1.00 1.42 N ATOM 1244 CA GLY A 81 10.960 -2.352 -20.527 1.00 4.53 C ATOM 1245 C GLY A 81 12.195 -1.626 -20.032 1.00 72.43 C ATOM 1246 O GLY A 81 13.316 -1.970 -20.407 1.00 54.32 O ATOM 0 H GLY A 81 9.071 -2.214 -19.632 1.00 1.42 H new ATOM 0 HA2 GLY A 81 11.255 -3.301 -20.975 1.00 4.53 H new ATOM 0 HA3 GLY A 81 10.486 -1.763 -21.312 1.00 4.53 H new ATOM 1250 N ASP A 82 11.990 -0.620 -19.191 1.00 14.13 N ATOM 1251 CA ASP A 82 13.096 0.158 -18.644 1.00 21.43 C ATOM 1252 C ASP A 82 13.914 -0.676 -17.663 1.00 23.42 C ATOM 1253 O ASP A 82 15.143 -0.703 -17.730 1.00 72.21 O ATOM 1254 CB ASP A 82 12.570 1.415 -17.951 1.00 22.14 C ATOM 1255 CG ASP A 82 12.797 2.668 -18.773 1.00 13.02 C ATOM 1256 OD1 ASP A 82 11.838 3.133 -19.425 1.00 14.15 O ATOM 1257 OD2 ASP A 82 13.934 3.185 -18.766 1.00 41.32 O1- ATOM 0 H ASP A 82 11.068 -0.323 -18.872 1.00 14.13 H new ATOM 0 HA ASP A 82 13.744 0.453 -19.470 1.00 21.43 H new ATOM 0 HB2 ASP A 82 11.504 1.300 -17.757 1.00 22.14 H new ATOM 0 HB3 ASP A 82 13.060 1.525 -16.984 1.00 22.14 H new ATOM 1262 N ALA A 83 13.223 -1.353 -16.752 1.00 45.42 N ATOM 1263 CA ALA A 83 13.885 -2.187 -15.756 1.00 21.54 C ATOM 1264 C ALA A 83 14.686 -3.303 -16.420 1.00 74.42 C ATOM 1265 O ALA A 83 15.749 -3.692 -15.935 1.00 71.11 O ATOM 1266 CB ALA A 83 12.863 -2.772 -14.792 1.00 12.34 C ATOM 0 H ALA A 83 12.205 -1.340 -16.683 1.00 45.42 H new ATOM 0 HA ALA A 83 14.578 -1.559 -15.196 1.00 21.54 H new ATOM 0 HB1 ALA A 83 13.372 -3.392 -14.054 1.00 12.34 H new ATOM 0 HB2 ALA A 83 12.337 -1.963 -14.285 1.00 12.34 H new ATOM 0 HB3 ALA A 83 12.147 -3.380 -15.345 1.00 12.34 H new ATOM 1272 N LEU A 84 14.170 -3.815 -17.532 1.00 41.30 N ATOM 1273 CA LEU A 84 14.836 -4.887 -18.263 1.00 72.41 C ATOM 1274 C LEU A 84 16.245 -4.470 -18.674 1.00 23.24 C ATOM 1275 O LEU A 84 17.215 -5.182 -18.410 1.00 61.34 O ATOM 1276 CB LEU A 84 14.023 -5.268 -19.501 1.00 54.12 C ATOM 1277 CG LEU A 84 13.624 -6.740 -19.615 1.00 10.02 C ATOM 1278 CD1 LEU A 84 14.851 -7.608 -19.853 1.00 35.23 C ATOM 1279 CD2 LEU A 84 12.885 -7.190 -18.365 1.00 24.15 C ATOM 0 H LEU A 84 13.292 -3.505 -17.947 1.00 41.30 H new ATOM 0 HA LEU A 84 14.910 -5.752 -17.604 1.00 72.41 H new ATOM 0 HB2 LEU A 84 13.116 -4.664 -19.515 1.00 54.12 H new ATOM 0 HB3 LEU A 84 14.599 -4.999 -20.386 1.00 54.12 H new ATOM 0 HG LEU A 84 12.954 -6.851 -20.468 1.00 10.02 H new ATOM 0 HD11 LEU A 84 14.548 -8.652 -19.932 1.00 35.23 H new ATOM 0 HD12 LEU A 84 15.340 -7.301 -20.778 1.00 35.23 H new ATOM 0 HD13 LEU A 84 15.545 -7.493 -19.020 1.00 35.23 H new ATOM 0 HD21 LEU A 84 12.609 -8.240 -18.464 1.00 24.15 H new ATOM 0 HD22 LEU A 84 13.531 -7.065 -17.496 1.00 24.15 H new ATOM 0 HD23 LEU A 84 11.985 -6.588 -18.238 1.00 24.15 H new ATOM 1291 N LYS A 85 16.351 -3.314 -19.319 1.00 13.23 N ATOM 1292 CA LYS A 85 17.642 -2.801 -19.763 1.00 53.44 C ATOM 1293 C LYS A 85 18.620 -2.705 -18.597 1.00 73.11 C ATOM 1294 O LYS A 85 19.767 -3.138 -18.700 1.00 1.12 O ATOM 1295 CB LYS A 85 17.470 -1.426 -20.414 1.00 25.42 C ATOM 1296 CG LYS A 85 18.116 -1.316 -21.783 1.00 52.24 C ATOM 1297 CD LYS A 85 17.404 -0.298 -22.656 1.00 12.13 C ATOM 1298 CE LYS A 85 17.806 -0.436 -24.116 1.00 30.01 C ATOM 1299 NZ LYS A 85 16.747 -1.104 -24.923 1.00 0.02 N1+ ATOM 0 H LYS A 85 15.558 -2.714 -19.546 1.00 13.23 H new ATOM 0 HA LYS A 85 18.048 -3.496 -20.498 1.00 53.44 H new ATOM 0 HB2 LYS A 85 16.406 -1.207 -20.505 1.00 25.42 H new ATOM 0 HB3 LYS A 85 17.897 -0.667 -19.758 1.00 25.42 H new ATOM 0 HG2 LYS A 85 19.162 -1.032 -21.671 1.00 52.24 H new ATOM 0 HG3 LYS A 85 18.101 -2.290 -22.272 1.00 52.24 H new ATOM 0 HD2 LYS A 85 16.326 -0.427 -22.561 1.00 12.13 H new ATOM 0 HD3 LYS A 85 17.637 0.708 -22.307 1.00 12.13 H new ATOM 0 HE2 LYS A 85 18.010 0.551 -24.531 1.00 30.01 H new ATOM 0 HE3 LYS A 85 18.731 -1.009 -24.185 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 17.060 -1.179 -25.912 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 16.569 -2.056 -24.543 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 15.872 -0.544 -24.878 1.00 0.02 H new ATOM 1313 N GLN A 86 18.157 -2.136 -17.488 1.00 11.43 N ATOM 1314 CA GLN A 86 18.993 -1.984 -16.303 1.00 53.23 C ATOM 1315 C GLN A 86 19.355 -3.344 -15.714 1.00 21.22 C ATOM 1316 O GLN A 86 20.341 -3.476 -14.991 1.00 41.42 O ATOM 1317 CB GLN A 86 18.275 -1.136 -15.252 1.00 12.42 C ATOM 1318 CG GLN A 86 17.715 0.167 -15.800 1.00 73.05 C ATOM 1319 CD GLN A 86 17.539 1.224 -14.727 1.00 42.21 C ATOM 1320 OE1 GLN A 86 18.472 1.961 -14.405 1.00 72.11 O ATOM 1321 NE2 GLN A 86 16.338 1.303 -14.167 1.00 61.43 N ATOM 0 H GLN A 86 17.209 -1.773 -17.386 1.00 11.43 H new ATOM 0 HA GLN A 86 19.913 -1.480 -16.601 1.00 53.23 H new ATOM 0 HB2 GLN A 86 17.461 -1.719 -14.821 1.00 12.42 H new ATOM 0 HB3 GLN A 86 18.969 -0.911 -14.442 1.00 12.42 H new ATOM 0 HG2 GLN A 86 18.382 0.548 -16.574 1.00 73.05 H new ATOM 0 HG3 GLN A 86 16.753 -0.027 -16.275 1.00 73.05 H new ATOM 0 HE21 GLN A 86 15.594 0.672 -14.465 1.00 61.43 H new ATOM 0 HE22 GLN A 86 16.159 1.995 -13.439 1.00 61.43 H new ATOM 1330 N GLY A 87 18.548 -4.354 -16.029 1.00 0.43 N ATOM 1331 CA GLY A 87 18.800 -5.690 -15.523 1.00 2.32 C ATOM 1332 C GLY A 87 18.241 -5.897 -14.129 1.00 44.42 C ATOM 1333 O GLY A 87 18.854 -6.569 -13.300 1.00 32.22 O ATOM 0 H GLY A 87 17.725 -4.270 -16.625 1.00 0.43 H new ATOM 0 HA2 GLY A 87 18.359 -6.421 -16.200 1.00 2.32 H new ATOM 0 HA3 GLY A 87 19.874 -5.874 -15.511 1.00 2.32 H new ATOM 1337 N LYS A 88 17.075 -5.316 -13.869 1.00 21.33 N ATOM 1338 CA LYS A 88 16.432 -5.440 -12.566 1.00 11.34 C ATOM 1339 C LYS A 88 15.772 -6.806 -12.412 1.00 1.12 C ATOM 1340 O LYS A 88 15.724 -7.362 -11.314 1.00 61.44 O ATOM 1341 CB LYS A 88 15.390 -4.335 -12.382 1.00 75.34 C ATOM 1342 CG LYS A 88 15.956 -2.933 -12.531 1.00 24.51 C ATOM 1343 CD LYS A 88 16.480 -2.399 -11.209 1.00 73.13 C ATOM 1344 CE LYS A 88 17.995 -2.257 -11.225 1.00 11.13 C ATOM 1345 NZ LYS A 88 18.505 -1.609 -9.985 1.00 30.44 N1+ ATOM 0 H LYS A 88 16.556 -4.754 -14.544 1.00 21.33 H new ATOM 0 HA LYS A 88 17.200 -5.339 -11.799 1.00 11.34 H new ATOM 0 HB2 LYS A 88 14.592 -4.475 -13.111 1.00 75.34 H new ATOM 0 HB3 LYS A 88 14.940 -4.433 -11.394 1.00 75.34 H new ATOM 0 HG2 LYS A 88 16.761 -2.941 -13.266 1.00 24.51 H new ATOM 0 HG3 LYS A 88 15.183 -2.266 -12.913 1.00 24.51 H new ATOM 0 HD2 LYS A 88 16.025 -1.431 -11.001 1.00 73.13 H new ATOM 0 HD3 LYS A 88 16.185 -3.070 -10.402 1.00 73.13 H new ATOM 0 HE2 LYS A 88 18.451 -3.241 -11.334 1.00 11.13 H new ATOM 0 HE3 LYS A 88 18.295 -1.669 -12.092 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 19.541 -1.531 -10.035 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 18.090 -0.660 -9.893 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 18.241 -2.183 -9.159 1.00 30.44 H new ATOM 1359 N ILE A 89 15.267 -7.342 -13.518 1.00 4.34 N ATOM 1360 CA ILE A 89 14.613 -8.645 -13.505 1.00 61.10 C ATOM 1361 C ILE A 89 15.570 -9.746 -13.946 1.00 40.34 C ATOM 1362 O ILE A 89 16.176 -9.663 -15.014 1.00 73.31 O ATOM 1363 CB ILE A 89 13.373 -8.661 -14.419 1.00 34.53 C ATOM 1364 CG1 ILE A 89 12.559 -7.379 -14.235 1.00 63.53 C ATOM 1365 CG2 ILE A 89 12.516 -9.884 -14.129 1.00 22.12 C ATOM 1366 CD1 ILE A 89 11.422 -7.237 -15.222 1.00 63.11 C ATOM 0 H ILE A 89 15.298 -6.894 -14.434 1.00 4.34 H new ATOM 0 HA ILE A 89 14.300 -8.830 -12.478 1.00 61.10 H new ATOM 0 HB ILE A 89 13.706 -8.712 -15.456 1.00 34.53 H new ATOM 0 HG12 ILE A 89 12.155 -7.357 -13.223 1.00 63.53 H new ATOM 0 HG13 ILE A 89 13.223 -6.520 -14.332 1.00 63.53 H new ATOM 0 HG21 ILE A 89 11.644 -9.881 -14.783 1.00 22.12 H new ATOM 0 HG22 ILE A 89 13.099 -10.787 -14.307 1.00 22.12 H new ATOM 0 HG23 ILE A 89 12.190 -9.861 -13.089 1.00 22.12 H new ATOM 0 HD11 ILE A 89 10.889 -6.305 -15.032 1.00 63.11 H new ATOM 0 HD12 ILE A 89 11.820 -7.227 -16.237 1.00 63.11 H new ATOM 0 HD13 ILE A 89 10.736 -8.077 -15.110 1.00 63.11 H new ATOM 1378 N GLU A 90 15.700 -10.776 -13.117 1.00 44.31 N ATOM 1379 CA GLU A 90 16.584 -11.896 -13.424 1.00 3.44 C ATOM 1380 C GLU A 90 15.808 -13.042 -14.065 1.00 63.21 C ATOM 1381 O GLU A 90 14.627 -13.243 -13.780 1.00 12.42 O ATOM 1382 CB GLU A 90 17.282 -12.385 -12.153 1.00 21.54 C ATOM 1383 CG GLU A 90 18.772 -12.091 -12.125 1.00 21.32 C ATOM 1384 CD GLU A 90 19.605 -13.322 -11.826 1.00 53.14 C ATOM 1385 OE1 GLU A 90 19.307 -14.392 -12.398 1.00 2.24 O ATOM 1386 OE2 GLU A 90 20.553 -13.216 -11.020 1.00 73.11 O1- ATOM 0 H GLU A 90 15.206 -10.859 -12.229 1.00 44.31 H new ATOM 0 HA GLU A 90 17.336 -11.549 -14.133 1.00 3.44 H new ATOM 0 HB2 GLU A 90 16.812 -11.918 -11.288 1.00 21.54 H new ATOM 0 HB3 GLU A 90 17.131 -13.460 -12.056 1.00 21.54 H new ATOM 0 HG2 GLU A 90 19.075 -11.677 -13.087 1.00 21.32 H new ATOM 0 HG3 GLU A 90 18.974 -11.329 -11.372 1.00 21.32 H new ATOM 1393 N LEU A 91 16.480 -13.791 -14.932 1.00 41.35 N ATOM 1394 CA LEU A 91 15.855 -14.918 -15.615 1.00 12.31 C ATOM 1395 C LEU A 91 16.571 -16.223 -15.280 1.00 71.23 C ATOM 1396 O LEU A 91 17.774 -16.358 -15.504 1.00 24.34 O ATOM 1397 CB LEU A 91 15.865 -14.693 -17.128 1.00 34.35 C ATOM 1398 CG LEU A 91 15.327 -13.344 -17.608 1.00 43.14 C ATOM 1399 CD1 LEU A 91 15.572 -13.173 -19.099 1.00 21.14 C ATOM 1400 CD2 LEU A 91 13.844 -13.218 -17.291 1.00 15.23 C ATOM 0 H LEU A 91 17.458 -13.638 -15.179 1.00 41.35 H new ATOM 0 HA LEU A 91 14.823 -14.992 -15.271 1.00 12.31 H new ATOM 0 HB2 LEU A 91 16.889 -14.801 -17.485 1.00 34.35 H new ATOM 0 HB3 LEU A 91 15.279 -15.483 -17.597 1.00 34.35 H new ATOM 0 HG LEU A 91 15.859 -12.553 -17.080 1.00 43.14 H new ATOM 0 HD11 LEU A 91 15.183 -12.208 -19.423 1.00 21.14 H new ATOM 0 HD12 LEU A 91 16.642 -13.219 -19.299 1.00 21.14 H new ATOM 0 HD13 LEU A 91 15.067 -13.970 -19.645 1.00 21.14 H new ATOM 0 HD21 LEU A 91 13.478 -12.252 -17.640 1.00 15.23 H new ATOM 0 HD22 LEU A 91 13.296 -14.016 -17.792 1.00 15.23 H new ATOM 0 HD23 LEU A 91 13.694 -13.296 -16.214 1.00 15.23 H new ATOM 1412 N SER A 92 15.822 -17.182 -14.745 1.00 62.30 N ATOM 1413 CA SER A 92 16.386 -18.476 -14.377 1.00 12.01 C ATOM 1414 C SER A 92 15.572 -19.614 -14.983 1.00 53.43 C ATOM 1415 O SER A 92 14.430 -19.855 -14.590 1.00 42.11 O ATOM 1416 CB SER A 92 16.433 -18.622 -12.855 1.00 32.04 C ATOM 1417 OG SER A 92 15.986 -17.439 -12.215 1.00 24.24 O ATOM 0 H SER A 92 14.824 -17.088 -14.557 1.00 62.30 H new ATOM 0 HA SER A 92 17.401 -18.528 -14.771 1.00 12.01 H new ATOM 0 HB2 SER A 92 15.811 -19.463 -12.548 1.00 32.04 H new ATOM 0 HB3 SER A 92 17.452 -18.847 -12.539 1.00 32.04 H new ATOM 0 HG SER A 92 15.038 -17.296 -12.418 1.00 24.24 H new ATOM 1423 N GLY A 93 16.166 -20.314 -15.945 1.00 72.14 N ATOM 1424 CA GLY A 93 15.483 -21.418 -16.592 1.00 41.14 C ATOM 1425 C GLY A 93 15.205 -21.151 -18.058 1.00 52.41 C ATOM 1426 O GLY A 93 15.978 -21.554 -18.927 1.00 72.03 O ATOM 0 H GLY A 93 17.110 -20.135 -16.288 1.00 72.14 H new ATOM 0 HA2 GLY A 93 16.088 -22.320 -16.499 1.00 41.14 H new ATOM 0 HA3 GLY A 93 14.542 -21.611 -16.077 1.00 41.14 H new ATOM 1430 N ASP A 94 14.098 -20.470 -18.332 1.00 50.01 N ATOM 1431 CA ASP A 94 13.718 -20.149 -19.704 1.00 42.00 C ATOM 1432 C ASP A 94 13.351 -18.675 -19.835 1.00 61.22 C ATOM 1433 O ASP A 94 12.230 -18.274 -19.519 1.00 24.31 O ATOM 1434 CB ASP A 94 12.544 -21.022 -20.148 1.00 44.20 C ATOM 1435 CG ASP A 94 12.828 -21.760 -21.442 1.00 62.13 C ATOM 1436 OD1 ASP A 94 12.010 -21.652 -22.379 1.00 22.23 O ATOM 1437 OD2 ASP A 94 13.869 -22.446 -21.516 1.00 42.01 O1- ATOM 0 H ASP A 94 13.448 -20.130 -17.623 1.00 50.01 H new ATOM 0 HA ASP A 94 14.574 -20.350 -20.349 1.00 42.00 H new ATOM 0 HB2 ASP A 94 12.315 -21.744 -19.364 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.659 -20.398 -20.275 1.00 44.20 H new ATOM 1442 N ALA A 95 14.301 -17.873 -20.302 1.00 52.22 N ATOM 1443 CA ALA A 95 14.076 -16.442 -20.476 1.00 61.03 C ATOM 1444 C ALA A 95 12.911 -16.181 -21.424 1.00 63.24 C ATOM 1445 O ALA A 95 12.246 -15.149 -21.336 1.00 24.01 O ATOM 1446 CB ALA A 95 15.340 -15.769 -20.991 1.00 22.22 C ATOM 0 H ALA A 95 15.234 -18.189 -20.567 1.00 52.22 H new ATOM 0 HA ALA A 95 13.821 -16.018 -19.505 1.00 61.03 H new ATOM 0 HB1 ALA A 95 15.159 -14.702 -21.117 1.00 22.22 H new ATOM 0 HB2 ALA A 95 16.149 -15.918 -20.276 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.619 -16.205 -21.950 1.00 22.22 H new ATOM 1452 N ASP A 96 12.670 -17.122 -22.331 1.00 31.21 N ATOM 1453 CA ASP A 96 11.584 -16.993 -23.296 1.00 63.04 C ATOM 1454 C ASP A 96 10.230 -16.999 -22.595 1.00 71.11 C ATOM 1455 O ASP A 96 9.403 -16.111 -22.809 1.00 42.54 O ATOM 1456 CB ASP A 96 11.647 -18.126 -24.321 1.00 13.52 C ATOM 1457 CG ASP A 96 11.728 -17.614 -25.745 1.00 14.13 C ATOM 1458 OD1 ASP A 96 10.753 -17.807 -26.502 1.00 42.02 O ATOM 1459 OD2 ASP A 96 12.767 -17.022 -26.105 1.00 51.14 O1- ATOM 0 H ASP A 96 13.212 -17.982 -22.418 1.00 31.21 H new ATOM 0 HA ASP A 96 11.701 -16.040 -23.812 1.00 63.04 H new ATOM 0 HB2 ASP A 96 12.515 -18.752 -24.113 1.00 13.52 H new ATOM 0 HB3 ASP A 96 10.765 -18.758 -24.215 1.00 13.52 H new ATOM 1464 N LEU A 97 10.009 -18.006 -21.755 1.00 21.24 N ATOM 1465 CA LEU A 97 8.754 -18.128 -21.022 1.00 53.03 C ATOM 1466 C LEU A 97 8.463 -16.862 -20.223 1.00 34.03 C ATOM 1467 O LEU A 97 7.358 -16.324 -20.276 1.00 22.40 O ATOM 1468 CB LEU A 97 8.804 -19.336 -20.085 1.00 23.04 C ATOM 1469 CG LEU A 97 7.851 -20.485 -20.419 1.00 32.22 C ATOM 1470 CD1 LEU A 97 8.020 -21.623 -19.424 1.00 33.50 C ATOM 1471 CD2 LEU A 97 6.411 -19.996 -20.433 1.00 13.34 C ATOM 0 H LEU A 97 10.682 -18.748 -21.565 1.00 21.24 H new ATOM 0 HA LEU A 97 7.952 -18.270 -21.746 1.00 53.03 H new ATOM 0 HB2 LEU A 97 9.822 -19.725 -20.080 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.588 -18.994 -19.073 1.00 23.04 H new ATOM 0 HG LEU A 97 8.096 -20.859 -21.413 1.00 32.22 H new ATOM 0 HD11 LEU A 97 7.334 -22.432 -19.677 1.00 33.50 H new ATOM 0 HD12 LEU A 97 9.045 -21.991 -19.463 1.00 33.50 H new ATOM 0 HD13 LEU A 97 7.802 -21.263 -18.419 1.00 33.50 H new ATOM 0 HD21 LEU A 97 5.747 -20.827 -20.672 1.00 13.34 H new ATOM 0 HD22 LEU A 97 6.153 -19.596 -19.452 1.00 13.34 H new ATOM 0 HD23 LEU A 97 6.300 -19.214 -21.184 1.00 13.34 H new ATOM 1483 N ALA A 98 9.464 -16.391 -19.486 1.00 51.02 N ATOM 1484 CA ALA A 98 9.317 -15.186 -18.680 1.00 72.21 C ATOM 1485 C ALA A 98 9.207 -13.946 -19.561 1.00 74.34 C ATOM 1486 O ALA A 98 8.552 -12.970 -19.196 1.00 70.15 O ATOM 1487 CB ALA A 98 10.487 -15.050 -17.717 1.00 43.44 C ATOM 0 H ALA A 98 10.385 -16.826 -19.431 1.00 51.02 H new ATOM 0 HA ALA A 98 8.395 -15.273 -18.105 1.00 72.21 H new ATOM 0 HB1 ALA A 98 10.364 -14.146 -17.121 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.518 -15.917 -17.058 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.418 -14.989 -18.281 1.00 43.44 H new ATOM 1493 N ALA A 99 9.852 -13.992 -20.722 1.00 41.25 N ATOM 1494 CA ALA A 99 9.824 -12.873 -21.655 1.00 41.24 C ATOM 1495 C ALA A 99 8.414 -12.628 -22.177 1.00 64.45 C ATOM 1496 O ALA A 99 7.937 -11.492 -22.204 1.00 63.22 O ATOM 1497 CB ALA A 99 10.781 -13.126 -22.811 1.00 14.33 C ATOM 0 H ALA A 99 10.400 -14.792 -21.039 1.00 41.25 H new ATOM 0 HA ALA A 99 10.145 -11.979 -21.121 1.00 41.24 H new ATOM 0 HB1 ALA A 99 10.750 -12.282 -23.500 1.00 14.33 H new ATOM 0 HB2 ALA A 99 11.794 -13.243 -22.426 1.00 14.33 H new ATOM 0 HB3 ALA A 99 10.485 -14.034 -23.336 1.00 14.33 H new ATOM 1503 N LYS A 100 7.747 -13.700 -22.593 1.00 1.23 N ATOM 1504 CA LYS A 100 6.389 -13.602 -23.115 1.00 72.44 C ATOM 1505 C LYS A 100 5.480 -12.871 -22.133 1.00 13.34 C ATOM 1506 O LYS A 100 4.571 -12.144 -22.535 1.00 61.21 O ATOM 1507 CB LYS A 100 5.830 -14.998 -23.403 1.00 31.43 C ATOM 1508 CG LYS A 100 4.842 -15.031 -24.557 1.00 4.53 C ATOM 1509 CD LYS A 100 4.375 -16.447 -24.850 1.00 22.41 C ATOM 1510 CE LYS A 100 2.883 -16.604 -24.599 1.00 35.11 C ATOM 1511 NZ LYS A 100 2.074 -15.747 -25.508 1.00 40.13 N1+ ATOM 0 H LYS A 100 8.125 -14.647 -22.579 1.00 1.23 H new ATOM 0 HA LYS A 100 6.423 -13.032 -24.044 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.657 -15.673 -23.624 1.00 31.43 H new ATOM 0 HB3 LYS A 100 5.341 -15.377 -22.506 1.00 31.43 H new ATOM 0 HG2 LYS A 100 3.982 -14.405 -24.319 1.00 4.53 H new ATOM 0 HG3 LYS A 100 5.307 -14.608 -25.448 1.00 4.53 H new ATOM 0 HD2 LYS A 100 4.599 -16.698 -25.887 1.00 22.41 H new ATOM 0 HD3 LYS A 100 4.926 -17.150 -24.225 1.00 22.41 H new ATOM 0 HE2 LYS A 100 2.600 -17.648 -24.736 1.00 35.11 H new ATOM 0 HE3 LYS A 100 2.660 -16.347 -23.564 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 1.120 -16.150 -25.608 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 2.005 -14.788 -25.111 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 2.531 -15.703 -26.441 1.00 40.13 H new ATOM 1525 N LEU A 101 5.730 -13.068 -20.843 1.00 12.30 N ATOM 1526 CA LEU A 101 4.935 -12.426 -19.802 1.00 3.23 C ATOM 1527 C LEU A 101 4.932 -10.911 -19.976 1.00 62.45 C ATOM 1528 O LEU A 101 3.873 -10.287 -20.051 1.00 14.21 O ATOM 1529 CB LEU A 101 5.478 -12.791 -18.419 1.00 62.20 C ATOM 1530 CG LEU A 101 4.547 -13.613 -17.528 1.00 45.40 C ATOM 1531 CD1 LEU A 101 5.215 -13.918 -16.197 1.00 50.44 C ATOM 1532 CD2 LEU A 101 3.232 -12.881 -17.312 1.00 34.24 C ATOM 0 H LEU A 101 6.477 -13.667 -20.493 1.00 12.30 H new ATOM 0 HA LEU A 101 3.910 -12.785 -19.889 1.00 3.23 H new ATOM 0 HB2 LEU A 101 6.407 -13.347 -18.550 1.00 62.20 H new ATOM 0 HB3 LEU A 101 5.730 -11.869 -17.895 1.00 62.20 H new ATOM 0 HG LEU A 101 4.335 -14.557 -18.029 1.00 45.40 H new ATOM 0 HD11 LEU A 101 4.538 -14.504 -15.576 1.00 50.44 H new ATOM 0 HD12 LEU A 101 6.130 -14.485 -16.370 1.00 50.44 H new ATOM 0 HD13 LEU A 101 5.457 -12.984 -15.689 1.00 50.44 H new ATOM 0 HD21 LEU A 101 2.582 -13.481 -16.675 1.00 34.24 H new ATOM 0 HD22 LEU A 101 3.424 -11.921 -16.832 1.00 34.24 H new ATOM 0 HD23 LEU A 101 2.746 -12.715 -18.273 1.00 34.24 H new ATOM 1544 N ALA A 102 6.123 -10.326 -20.042 1.00 31.42 N ATOM 1545 CA ALA A 102 6.257 -8.884 -20.211 1.00 1.32 C ATOM 1546 C ALA A 102 5.394 -8.384 -21.365 1.00 62.44 C ATOM 1547 O ALA A 102 4.929 -7.245 -21.355 1.00 20.35 O ATOM 1548 CB ALA A 102 7.715 -8.513 -20.442 1.00 64.24 C ATOM 0 H ALA A 102 7.009 -10.828 -19.981 1.00 31.42 H new ATOM 0 HA ALA A 102 5.911 -8.402 -19.297 1.00 1.32 H new ATOM 0 HB1 ALA A 102 7.800 -7.434 -20.567 1.00 64.24 H new ATOM 0 HB2 ALA A 102 8.311 -8.828 -19.585 1.00 64.24 H new ATOM 0 HB3 ALA A 102 8.079 -9.012 -21.340 1.00 64.24 H new ATOM 1554 N GLU A 103 5.185 -9.243 -22.358 1.00 45.13 N ATOM 1555 CA GLU A 103 4.378 -8.887 -23.519 1.00 0.13 C ATOM 1556 C GLU A 103 2.966 -8.490 -23.099 1.00 54.13 C ATOM 1557 O GLU A 103 2.435 -7.474 -23.549 1.00 43.44 O ATOM 1558 CB GLU A 103 4.320 -10.055 -24.505 1.00 65.34 C ATOM 1559 CG GLU A 103 4.150 -9.622 -25.952 1.00 71.40 C ATOM 1560 CD GLU A 103 5.456 -9.642 -26.723 1.00 43.23 C ATOM 1561 OE1 GLU A 103 6.147 -10.681 -26.694 1.00 35.33 O ATOM 1562 OE2 GLU A 103 5.787 -8.616 -27.355 1.00 44.42 O1- ATOM 0 H GLU A 103 5.563 -10.190 -22.382 1.00 45.13 H new ATOM 0 HA GLU A 103 4.847 -8.032 -24.007 1.00 0.13 H new ATOM 0 HB2 GLU A 103 5.234 -10.641 -24.415 1.00 65.34 H new ATOM 0 HB3 GLU A 103 3.493 -10.710 -24.231 1.00 65.34 H new ATOM 0 HG2 GLU A 103 3.432 -10.280 -26.442 1.00 71.40 H new ATOM 0 HG3 GLU A 103 3.731 -8.616 -25.980 1.00 71.40 H new ATOM 1569 N VAL A 104 2.362 -9.301 -22.236 1.00 33.41 N ATOM 1570 CA VAL A 104 1.011 -9.035 -21.755 1.00 23.33 C ATOM 1571 C VAL A 104 0.988 -7.832 -20.818 1.00 20.50 C ATOM 1572 O VAL A 104 -0.059 -7.222 -20.600 1.00 4.15 O ATOM 1573 CB VAL A 104 0.428 -10.256 -21.018 1.00 33.51 C ATOM 1574 CG1 VAL A 104 0.860 -10.257 -19.560 1.00 74.10 C ATOM 1575 CG2 VAL A 104 -1.088 -10.272 -21.133 1.00 43.11 C ATOM 0 H VAL A 104 2.786 -10.147 -21.856 1.00 33.41 H new ATOM 0 HA VAL A 104 0.399 -8.821 -22.631 1.00 23.33 H new ATOM 0 HB VAL A 104 0.815 -11.161 -21.487 1.00 33.51 H new ATOM 0 HG11 VAL A 104 0.438 -11.127 -19.056 1.00 74.10 H new ATOM 0 HG12 VAL A 104 1.948 -10.296 -19.503 1.00 74.10 H new ATOM 0 HG13 VAL A 104 0.504 -9.348 -19.074 1.00 74.10 H new ATOM 0 HG21 VAL A 104 -1.484 -11.141 -20.607 1.00 43.11 H new ATOM 0 HG22 VAL A 104 -1.496 -9.363 -20.691 1.00 43.11 H new ATOM 0 HG23 VAL A 104 -1.373 -10.323 -22.184 1.00 43.11 H new ATOM 1585 N ILE A 105 2.150 -7.495 -20.267 1.00 64.50 N ATOM 1586 CA ILE A 105 2.263 -6.363 -19.355 1.00 64.45 C ATOM 1587 C ILE A 105 2.161 -5.040 -20.107 1.00 25.40 C ATOM 1588 O ILE A 105 1.681 -4.042 -19.567 1.00 74.01 O ATOM 1589 CB ILE A 105 3.591 -6.398 -18.577 1.00 25.25 C ATOM 1590 CG1 ILE A 105 3.675 -7.667 -17.725 1.00 71.41 C ATOM 1591 CG2 ILE A 105 3.727 -5.159 -17.706 1.00 10.31 C ATOM 1592 CD1 ILE A 105 4.968 -7.790 -16.951 1.00 20.20 C ATOM 0 H ILE A 105 3.026 -7.990 -20.436 1.00 64.50 H new ATOM 0 HA ILE A 105 1.436 -6.442 -18.649 1.00 64.45 H new ATOM 0 HB ILE A 105 4.414 -6.408 -19.292 1.00 25.25 H new ATOM 0 HG12 ILE A 105 2.839 -7.681 -17.025 1.00 71.41 H new ATOM 0 HG13 ILE A 105 3.564 -8.537 -18.372 1.00 71.41 H new ATOM 0 HG21 ILE A 105 4.671 -5.198 -17.162 1.00 10.31 H new ATOM 0 HG22 ILE A 105 3.707 -4.269 -18.334 1.00 10.31 H new ATOM 0 HG23 ILE A 105 2.901 -5.121 -16.996 1.00 10.31 H new ATOM 0 HD11 ILE A 105 4.958 -8.712 -16.370 1.00 20.20 H new ATOM 0 HD12 ILE A 105 5.808 -7.808 -17.646 1.00 20.20 H new ATOM 0 HD13 ILE A 105 5.072 -6.939 -16.278 1.00 20.20 H new