USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 933 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -161:sc= -3.11! (180deg=-4.94!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 0:sc= -1.42! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0121 F(o=-0.7,f=-0.012) USER MOD Single : A 40 ASN : amide:sc= -0.9 K(o=-0.9,f=-2.1!) USER MOD Single : A 41 GLN : amide:sc= -0.0275 K(o=-0.027,f=-1.2) USER MOD Single : A 43 GLN :FLIP amide:sc= -1.1 F(o=-2.2!,f=-1.1) USER MOD Single : A 44 ASN : amide:sc= -2.32 K(o=-2.3,f=-7.7!) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.784 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.37 K(o=-1.4,f=-2.4!) USER MOD Single : A 84 HIS : no HD1:sc= -0.371 K(o=-0.37,f=-1.5) USER MOD Single : A 87 TYR OH : rot 150:sc= -1.1! USER MOD Single : A 88 MET CE :methyl -176:sc= 0 (180deg=-0.0547) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.751 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 109 THR OG1 : rot 60:sc= 1.14 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -1.71! C(o=-1.7!,f=-4.2!) USER MOD Single : A 115 THR OG1 : rot 69:sc= 1.27 USER MOD Single : A 116 GLN : amide:sc= -0.0442 K(o=-0.044,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -1.918 -3.490 -4.277 1.00 74.53 N ATOM 41 CA GLU A 4 -3.053 -3.389 -5.186 1.00 44.43 C ATOM 42 C GLU A 4 -3.747 -4.739 -5.341 1.00 72.00 C ATOM 43 O GLU A 4 -4.955 -4.806 -5.576 1.00 41.22 O ATOM 44 CB GLU A 4 -2.595 -2.879 -6.554 1.00 55.41 C ATOM 45 CG GLU A 4 -3.692 -2.887 -7.605 1.00 51.52 C ATOM 46 CD GLU A 4 -3.438 -1.892 -8.721 1.00 0.52 C ATOM 47 OE1 GLU A 4 -2.301 -1.385 -8.817 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 -4.376 -1.622 -9.499 1.00 44.14 O ATOM 0 HA GLU A 4 -3.764 -2.681 -4.761 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -2.215 -1.863 -6.445 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -1.765 -3.494 -6.902 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -3.777 -3.888 -8.028 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -4.646 -2.659 -7.130 1.00 51.52 H new ATOM 55 N LEU A 5 -2.977 -5.813 -5.209 1.00 43.24 N ATOM 56 CA LEU A 5 -3.516 -7.162 -5.334 1.00 13.32 C ATOM 57 C LEU A 5 -4.701 -7.365 -4.394 1.00 63.44 C ATOM 58 O LEU A 5 -5.654 -8.072 -4.723 1.00 51.25 O ATOM 59 CB LEU A 5 -2.430 -8.197 -5.035 1.00 63.32 C ATOM 60 CG LEU A 5 -2.053 -8.367 -3.563 1.00 2.52 C ATOM 61 CD1 LEU A 5 -1.237 -9.635 -3.363 1.00 32.23 C ATOM 62 CD2 LEU A 5 -1.282 -7.153 -3.066 1.00 74.41 C ATOM 0 H LEU A 5 -1.976 -5.776 -5.015 1.00 43.24 H new ATOM 0 HA LEU A 5 -3.862 -7.294 -6.359 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -2.760 -9.162 -5.419 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -1.533 -7.924 -5.590 1.00 63.32 H new ATOM 0 HG LEU A 5 -2.971 -8.454 -2.982 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -0.978 -9.739 -2.309 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -1.823 -10.498 -3.679 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -0.325 -9.578 -3.957 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -1.022 -7.292 -2.017 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -0.371 -7.035 -3.653 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -1.900 -6.261 -3.172 1.00 74.41 H new ATOM 74 N LEU A 6 -4.634 -6.738 -3.224 1.00 10.52 N ATOM 75 CA LEU A 6 -5.703 -6.848 -2.237 1.00 13.21 C ATOM 76 C LEU A 6 -7.023 -6.336 -2.804 1.00 51.12 C ATOM 77 O LEU A 6 -8.070 -6.955 -2.620 1.00 73.12 O ATOM 78 CB LEU A 6 -5.338 -6.064 -0.974 1.00 44.03 C ATOM 79 CG LEU A 6 -4.125 -6.574 -0.194 1.00 1.52 C ATOM 80 CD1 LEU A 6 -3.786 -5.627 0.945 1.00 31.20 C ATOM 81 CD2 LEU A 6 -4.383 -7.977 0.335 1.00 22.10 C ATOM 0 H LEU A 6 -3.852 -6.149 -2.936 1.00 10.52 H new ATOM 0 HA LEU A 6 -5.823 -7.901 -1.983 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -5.154 -5.027 -1.255 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -6.200 -6.066 -0.307 1.00 44.03 H new ATOM 0 HG LEU A 6 -3.272 -6.614 -0.871 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -2.921 -6.006 1.488 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -3.557 -4.640 0.542 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -4.636 -5.554 1.623 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -3.510 -8.324 0.887 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -5.249 -7.963 0.997 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -4.576 -8.651 -0.500 1.00 22.10 H new ATOM 93 N ASP A 7 -6.963 -5.202 -3.494 1.00 4.52 N ATOM 94 CA ASP A 7 -8.154 -4.608 -4.091 1.00 25.12 C ATOM 95 C ASP A 7 -8.579 -5.379 -5.337 1.00 33.21 C ATOM 96 O ASP A 7 -9.760 -5.413 -5.685 1.00 24.02 O ATOM 97 CB ASP A 7 -7.895 -3.143 -4.446 1.00 34.32 C ATOM 98 CG ASP A 7 -9.172 -2.326 -4.501 1.00 10.52 C ATOM 99 OD1 ASP A 7 -10.265 -2.930 -4.464 1.00 22.32 O1- ATOM 100 OD2 ASP A 7 -9.078 -1.083 -4.579 1.00 34.22 O ATOM 0 H ASP A 7 -6.104 -4.676 -3.654 1.00 4.52 H new ATOM 0 HA ASP A 7 -8.962 -4.660 -3.361 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -7.220 -2.708 -3.709 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -7.391 -3.090 -5.411 1.00 34.32 H new ATOM 105 N ALA A 8 -7.610 -5.995 -6.005 1.00 74.43 N ATOM 106 CA ALA A 8 -7.884 -6.765 -7.212 1.00 44.45 C ATOM 107 C ALA A 8 -8.945 -7.831 -6.954 1.00 72.11 C ATOM 108 O ALA A 8 -9.956 -7.897 -7.654 1.00 71.43 O ATOM 109 CB ALA A 8 -6.606 -7.406 -7.732 1.00 72.11 C ATOM 0 H ALA A 8 -6.628 -5.976 -5.731 1.00 74.43 H new ATOM 0 HA ALA A 8 -8.268 -6.081 -7.969 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -6.826 -7.978 -8.634 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -5.878 -6.629 -7.964 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -6.197 -8.071 -6.971 1.00 72.11 H new ATOM 115 N LEU A 9 -8.708 -8.661 -5.945 1.00 65.10 N ATOM 116 CA LEU A 9 -9.643 -9.725 -5.594 1.00 30.43 C ATOM 117 C LEU A 9 -11.036 -9.161 -5.335 1.00 2.51 C ATOM 118 O LEU A 9 -12.044 -9.795 -5.652 1.00 14.11 O ATOM 119 CB LEU A 9 -9.148 -10.481 -4.359 1.00 54.45 C ATOM 120 CG LEU A 9 -7.697 -10.961 -4.405 1.00 52.20 C ATOM 121 CD1 LEU A 9 -7.069 -10.890 -3.021 1.00 21.41 C ATOM 122 CD2 LEU A 9 -7.621 -12.378 -4.954 1.00 32.24 C ATOM 0 H LEU A 9 -7.877 -8.618 -5.355 1.00 65.10 H new ATOM 0 HA LEU A 9 -9.701 -10.416 -6.435 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -9.269 -9.835 -3.489 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -9.792 -11.347 -4.205 1.00 54.45 H new ATOM 0 HG LEU A 9 -7.137 -10.304 -5.071 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -6.036 -11.235 -3.072 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -7.090 -9.860 -2.664 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -7.630 -11.524 -2.334 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -6.581 -12.703 -4.980 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -8.195 -13.048 -4.313 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -8.033 -12.400 -5.963 1.00 32.24 H new ATOM 134 N THR A 10 -11.088 -7.965 -4.757 1.00 42.42 N ATOM 135 CA THR A 10 -12.356 -7.315 -4.456 1.00 45.22 C ATOM 136 C THR A 10 -13.099 -6.941 -5.733 1.00 33.22 C ATOM 137 O THR A 10 -14.316 -7.111 -5.827 1.00 71.53 O ATOM 138 CB THR A 10 -12.151 -6.048 -3.606 1.00 10.42 C ATOM 139 OG1 THR A 10 -11.523 -6.387 -2.364 1.00 72.25 O ATOM 140 CG2 THR A 10 -13.477 -5.354 -3.337 1.00 62.04 C ATOM 0 H THR A 10 -10.265 -7.427 -4.488 1.00 42.42 H new ATOM 0 HA THR A 10 -12.951 -8.031 -3.889 1.00 45.22 H new ATOM 0 HB THR A 10 -11.509 -5.365 -4.163 1.00 10.42 H new ATOM 0 HG1 THR A 10 -11.395 -5.575 -1.830 1.00 72.25 H new ATOM 0 HG21 THR A 10 -13.305 -4.462 -2.735 1.00 62.04 H new ATOM 0 HG22 THR A 10 -13.937 -5.070 -4.283 1.00 62.04 H new ATOM 0 HG23 THR A 10 -14.140 -6.032 -2.800 1.00 62.04 H new ATOM 148 N ILE A 11 -12.361 -6.432 -6.714 1.00 32.10 N ATOM 149 CA ILE A 11 -12.951 -6.036 -7.987 1.00 21.23 C ATOM 150 C ILE A 11 -13.614 -7.223 -8.679 1.00 62.33 C ATOM 151 O ILE A 11 -14.631 -7.071 -9.357 1.00 65.32 O ATOM 152 CB ILE A 11 -11.897 -5.429 -8.931 1.00 71.24 C ATOM 153 CG1 ILE A 11 -11.259 -4.194 -8.292 1.00 53.43 C ATOM 154 CG2 ILE A 11 -12.528 -5.072 -10.269 1.00 64.41 C ATOM 155 CD1 ILE A 11 -9.825 -3.965 -8.718 1.00 14.01 C ATOM 0 H ILE A 11 -11.354 -6.284 -6.652 1.00 32.10 H new ATOM 0 HA ILE A 11 -13.705 -5.281 -7.764 1.00 21.23 H new ATOM 0 HB ILE A 11 -11.117 -6.170 -9.104 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -11.851 -3.315 -8.549 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -11.295 -4.296 -7.207 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -11.771 -4.644 -10.926 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -12.941 -5.970 -10.728 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -13.325 -4.345 -10.113 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -9.437 -3.073 -8.226 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -9.220 -4.827 -8.436 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -9.784 -3.830 -9.799 1.00 14.01 H new ATOM 167 N LEU A 12 -13.032 -8.404 -8.501 1.00 75.15 N ATOM 168 CA LEU A 12 -13.567 -9.619 -9.107 1.00 35.45 C ATOM 169 C LEU A 12 -14.973 -9.911 -8.591 1.00 52.41 C ATOM 170 O LEU A 12 -15.776 -10.542 -9.276 1.00 23.30 O ATOM 171 CB LEU A 12 -12.648 -10.805 -8.814 1.00 52.11 C ATOM 172 CG LEU A 12 -11.174 -10.619 -9.179 1.00 0.22 C ATOM 173 CD1 LEU A 12 -10.406 -11.915 -8.976 1.00 0.53 C ATOM 174 CD2 LEU A 12 -11.038 -10.135 -10.616 1.00 60.44 C ATOM 0 H LEU A 12 -12.190 -8.546 -7.943 1.00 75.15 H new ATOM 0 HA LEU A 12 -13.620 -9.465 -10.185 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -12.712 -11.034 -7.750 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -13.028 -11.674 -9.351 1.00 52.11 H new ATOM 0 HG LEU A 12 -10.749 -9.862 -8.520 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -9.360 -11.763 -9.241 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -10.476 -12.219 -7.932 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -10.831 -12.693 -9.610 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -9.983 -10.008 -10.859 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -11.480 -10.869 -11.290 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -11.554 -9.181 -10.729 1.00 60.44 H new ATOM 186 N GLU A 13 -15.263 -9.444 -7.380 1.00 2.20 N ATOM 187 CA GLU A 13 -16.572 -9.654 -6.774 1.00 73.44 C ATOM 188 C GLU A 13 -17.680 -9.107 -7.670 1.00 24.32 C ATOM 189 O GLU A 13 -18.812 -9.590 -7.642 1.00 32.15 O ATOM 190 CB GLU A 13 -16.636 -8.987 -5.400 1.00 53.14 C ATOM 191 CG GLU A 13 -15.633 -9.547 -4.404 1.00 32.32 C ATOM 192 CD GLU A 13 -16.193 -10.703 -3.599 1.00 22.03 C ATOM 193 OE1 GLU A 13 -16.247 -11.829 -4.137 1.00 5.24 O ATOM 194 OE2 GLU A 13 -16.576 -10.482 -2.431 1.00 34.44 O1- ATOM 0 H GLU A 13 -14.609 -8.918 -6.800 1.00 2.20 H new ATOM 0 HA GLU A 13 -16.721 -10.727 -6.655 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -16.461 -7.917 -5.516 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -17.641 -9.104 -4.995 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -14.743 -9.879 -4.938 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -15.320 -8.754 -3.725 1.00 32.32 H new ATOM 201 N LYS A 14 -17.346 -8.095 -8.463 1.00 41.41 N ATOM 202 CA LYS A 14 -18.310 -7.480 -9.367 1.00 53.15 C ATOM 203 C LYS A 14 -18.995 -8.535 -10.231 1.00 32.03 C ATOM 204 O LYS A 14 -20.145 -8.367 -10.633 1.00 33.02 O ATOM 205 CB LYS A 14 -17.617 -6.447 -10.259 1.00 52.04 C ATOM 206 CG LYS A 14 -18.576 -5.656 -11.132 1.00 23.23 C ATOM 207 CD LYS A 14 -17.913 -5.202 -12.420 1.00 74.34 C ATOM 208 CE LYS A 14 -18.629 -4.004 -13.024 1.00 0.54 C ATOM 209 NZ LYS A 14 -17.717 -3.178 -13.865 1.00 44.11 N1+ ATOM 0 H LYS A 14 -16.414 -7.683 -8.498 1.00 41.41 H new ATOM 0 HA LYS A 14 -19.068 -6.980 -8.764 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -17.056 -5.755 -9.631 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -16.894 -6.956 -10.897 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -19.446 -6.269 -11.366 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -18.937 -4.787 -10.582 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -16.872 -4.944 -12.223 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -17.908 -6.023 -13.137 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -19.468 -4.349 -13.629 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -19.044 -3.388 -12.226 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -18.243 -2.372 -14.258 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -16.930 -2.827 -13.282 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -17.341 -3.758 -14.642 1.00 44.11 H new ATOM 223 N GLU A 15 -18.281 -9.621 -10.509 1.00 31.13 N ATOM 224 CA GLU A 15 -18.822 -10.702 -11.324 1.00 10.21 C ATOM 225 C GLU A 15 -19.456 -11.779 -10.447 1.00 74.31 C ATOM 226 O GLU A 15 -18.953 -12.093 -9.367 1.00 23.34 O ATOM 227 CB GLU A 15 -17.722 -11.317 -12.191 1.00 45.25 C ATOM 228 CG GLU A 15 -18.168 -12.554 -12.953 1.00 55.15 C ATOM 229 CD GLU A 15 -19.327 -12.275 -13.891 1.00 24.20 C ATOM 230 OE1 GLU A 15 -19.303 -11.227 -14.568 1.00 1.53 O ATOM 231 OE2 GLU A 15 -20.257 -13.106 -13.946 1.00 50.25 O1- ATOM 0 H GLU A 15 -17.327 -9.775 -10.182 1.00 31.13 H new ATOM 0 HA GLU A 15 -19.593 -10.284 -11.971 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -17.371 -10.569 -12.902 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -16.874 -11.577 -11.557 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -17.328 -12.946 -13.526 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -18.458 -13.329 -12.243 1.00 55.15 H new ATOM 238 N LYS A 16 -20.563 -12.343 -10.919 1.00 54.02 N ATOM 239 CA LYS A 16 -21.266 -13.384 -10.181 1.00 15.32 C ATOM 240 C LYS A 16 -20.806 -14.770 -10.624 1.00 60.10 C ATOM 241 O LYS A 16 -19.954 -14.900 -11.502 1.00 20.10 O ATOM 242 CB LYS A 16 -22.777 -13.249 -10.382 1.00 20.41 C ATOM 243 CG LYS A 16 -23.585 -13.535 -9.128 1.00 32.52 C ATOM 244 CD LYS A 16 -24.484 -14.747 -9.308 1.00 20.11 C ATOM 245 CE LYS A 16 -25.799 -14.582 -8.562 1.00 73.12 C ATOM 246 NZ LYS A 16 -25.607 -14.607 -7.086 1.00 30.23 N1+ ATOM 0 H LYS A 16 -20.992 -12.096 -11.811 1.00 54.02 H new ATOM 0 HA LYS A 16 -21.034 -13.264 -9.123 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -23.001 -12.239 -10.726 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -23.093 -13.932 -11.171 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -22.909 -13.703 -8.289 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -24.192 -12.665 -8.879 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -24.683 -14.899 -10.369 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -23.970 -15.639 -8.949 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -26.265 -13.640 -8.852 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -26.484 -15.379 -8.853 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -26.527 -14.492 -6.614 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -25.186 -15.516 -6.806 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -24.974 -13.831 -6.805 1.00 30.23 H new ATOM 260 N GLY A 17 -21.378 -15.802 -10.011 1.00 53.14 N ATOM 261 CA GLY A 17 -21.014 -17.164 -10.357 1.00 1.24 C ATOM 262 C GLY A 17 -19.539 -17.443 -10.143 1.00 24.31 C ATOM 263 O GLY A 17 -18.951 -18.274 -10.836 1.00 30.33 O ATOM 0 H GLY A 17 -22.086 -15.719 -9.282 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -21.603 -17.858 -9.757 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -21.268 -17.351 -11.400 1.00 1.24 H new ATOM 267 N ILE A 18 -18.940 -16.745 -9.184 1.00 51.44 N ATOM 268 CA ILE A 18 -17.524 -16.921 -8.883 1.00 32.50 C ATOM 269 C ILE A 18 -17.222 -16.559 -7.433 1.00 3.32 C ATOM 270 O ILE A 18 -18.018 -15.892 -6.770 1.00 25.41 O ATOM 271 CB ILE A 18 -16.640 -16.066 -9.809 1.00 45.15 C ATOM 272 CG1 ILE A 18 -17.200 -14.646 -9.915 1.00 2.33 C ATOM 273 CG2 ILE A 18 -16.541 -16.707 -11.186 1.00 34.32 C ATOM 274 CD1 ILE A 18 -16.139 -13.571 -9.836 1.00 3.12 C ATOM 0 H ILE A 18 -19.412 -16.053 -8.602 1.00 51.44 H new ATOM 0 HA ILE A 18 -17.295 -17.974 -9.048 1.00 32.50 H new ATOM 0 HB ILE A 18 -15.638 -16.011 -9.383 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -17.738 -14.546 -10.858 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -17.925 -14.489 -9.116 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -15.913 -16.091 -11.830 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -16.102 -17.701 -11.094 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -17.537 -16.789 -11.622 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -16.608 -12.590 -9.918 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -15.617 -13.645 -8.882 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -15.427 -13.702 -10.651 1.00 3.12 H new ATOM 286 N SER A 19 -16.067 -17.000 -6.946 1.00 72.20 N ATOM 287 CA SER A 19 -15.659 -16.723 -5.574 1.00 5.03 C ATOM 288 C SER A 19 -14.191 -16.312 -5.516 1.00 10.11 C ATOM 289 O SER A 19 -13.325 -16.976 -6.085 1.00 55.41 O ATOM 290 CB SER A 19 -15.891 -17.952 -4.693 1.00 70.31 C ATOM 291 OG SER A 19 -17.097 -17.833 -3.958 1.00 12.11 O ATOM 0 H SER A 19 -15.397 -17.551 -7.482 1.00 72.20 H new ATOM 0 HA SER A 19 -16.265 -15.897 -5.201 1.00 5.03 H new ATOM 0 HB2 SER A 19 -15.927 -18.847 -5.314 1.00 70.31 H new ATOM 0 HB3 SER A 19 -15.054 -18.074 -4.006 1.00 70.31 H new ATOM 0 HG SER A 19 -17.223 -18.632 -3.404 1.00 12.11 H new ATOM 297 N LYS A 20 -13.919 -15.212 -4.823 1.00 21.45 N ATOM 298 CA LYS A 20 -12.556 -14.710 -4.687 1.00 74.43 C ATOM 299 C LYS A 20 -11.724 -15.627 -3.797 1.00 44.01 C ATOM 300 O LYS A 20 -10.497 -15.639 -3.879 1.00 62.25 O ATOM 301 CB LYS A 20 -12.569 -13.294 -4.108 1.00 25.14 C ATOM 302 CG LYS A 20 -12.820 -13.251 -2.610 1.00 31.04 C ATOM 303 CD LYS A 20 -12.927 -11.823 -2.102 1.00 45.33 C ATOM 304 CE LYS A 20 -11.646 -11.044 -2.359 1.00 73.32 C ATOM 305 NZ LYS A 20 -10.446 -11.769 -1.858 1.00 24.23 N1+ ATOM 0 H LYS A 20 -14.624 -14.650 -4.346 1.00 21.45 H new ATOM 0 HA LYS A 20 -12.103 -14.687 -5.678 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -11.614 -12.814 -4.322 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -13.339 -12.711 -4.614 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -13.739 -13.790 -2.379 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -12.011 -13.763 -2.090 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -13.763 -11.323 -2.591 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -13.142 -11.831 -1.033 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -11.540 -10.862 -3.428 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -11.710 -10.070 -1.875 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -9.656 -11.101 -1.752 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -10.661 -12.200 -0.936 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -10.182 -12.513 -2.535 1.00 24.23 H new ATOM 319 N GLU A 21 -12.402 -16.396 -2.949 1.00 64.52 N ATOM 320 CA GLU A 21 -11.723 -17.317 -2.045 1.00 11.33 C ATOM 321 C GLU A 21 -10.784 -18.241 -2.815 1.00 34.03 C ATOM 322 O GLU A 21 -9.668 -18.514 -2.374 1.00 42.53 O ATOM 323 CB GLU A 21 -12.746 -18.146 -1.265 1.00 34.13 C ATOM 324 CG GLU A 21 -13.627 -17.317 -0.346 1.00 74.01 C ATOM 325 CD GLU A 21 -14.897 -18.044 0.057 1.00 20.11 C ATOM 326 OE1 GLU A 21 -14.871 -18.758 1.081 1.00 42.41 O1- ATOM 327 OE2 GLU A 21 -15.914 -17.898 -0.652 1.00 12.41 O ATOM 0 H GLU A 21 -13.419 -16.399 -2.870 1.00 64.52 H new ATOM 0 HA GLU A 21 -11.131 -16.729 -1.344 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -13.378 -18.686 -1.971 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -12.219 -18.894 -0.672 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -13.064 -17.053 0.549 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -13.889 -16.384 -0.845 1.00 74.01 H new ATOM 334 N ILE A 22 -11.246 -18.719 -3.966 1.00 11.12 N ATOM 335 CA ILE A 22 -10.446 -19.612 -4.797 1.00 52.11 C ATOM 336 C ILE A 22 -9.398 -18.836 -5.587 1.00 5.14 C ATOM 337 O ILE A 22 -8.367 -19.385 -5.974 1.00 62.02 O ATOM 338 CB ILE A 22 -11.328 -20.406 -5.778 1.00 23.14 C ATOM 339 CG1 ILE A 22 -12.365 -21.231 -5.013 1.00 11.11 C ATOM 340 CG2 ILE A 22 -10.468 -21.306 -6.652 1.00 74.20 C ATOM 341 CD1 ILE A 22 -13.661 -20.491 -4.765 1.00 40.42 C ATOM 0 H ILE A 22 -12.169 -18.503 -4.344 1.00 11.12 H new ATOM 0 HA ILE A 22 -9.947 -20.308 -4.123 1.00 52.11 H new ATOM 0 HB ILE A 22 -11.855 -19.702 -6.422 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -12.577 -22.142 -5.572 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -11.941 -21.536 -4.056 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -11.105 -21.861 -7.340 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -9.764 -20.697 -7.220 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -9.917 -22.006 -6.023 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -14.349 -21.136 -4.218 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -13.461 -19.594 -4.179 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -14.107 -20.209 -5.719 1.00 40.42 H new ATOM 353 N ILE A 23 -9.669 -17.556 -5.820 1.00 13.43 N ATOM 354 CA ILE A 23 -8.747 -16.704 -6.562 1.00 72.34 C ATOM 355 C ILE A 23 -7.481 -16.431 -5.756 1.00 55.40 C ATOM 356 O ILE A 23 -6.371 -16.502 -6.283 1.00 31.34 O ATOM 357 CB ILE A 23 -9.401 -15.362 -6.938 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.726 -15.601 -7.665 1.00 1.43 C ATOM 359 CG2 ILE A 23 -8.458 -14.537 -7.802 1.00 41.41 C ATOM 360 CD1 ILE A 23 -10.580 -16.403 -8.938 1.00 34.01 C ATOM 0 H ILE A 23 -10.518 -17.086 -5.506 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.486 -17.241 -7.474 1.00 72.34 H new ATOM 0 HB ILE A 23 -9.605 -14.806 -6.023 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -11.411 -16.120 -6.994 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -11.180 -14.639 -7.901 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.934 -13.591 -8.060 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -7.538 -14.342 -7.252 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -8.226 -15.087 -8.714 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -11.559 -16.534 -9.400 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.921 -15.875 -9.627 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -10.155 -17.380 -8.706 1.00 34.01 H new ATOM 372 N ILE A 24 -7.657 -16.122 -4.475 1.00 51.31 N ATOM 373 CA ILE A 24 -6.528 -15.842 -3.596 1.00 74.21 C ATOM 374 C ILE A 24 -5.504 -16.970 -3.641 1.00 44.54 C ATOM 375 O ILE A 24 -4.300 -16.732 -3.553 1.00 32.23 O ATOM 376 CB ILE A 24 -6.986 -15.637 -2.140 1.00 32.43 C ATOM 377 CG1 ILE A 24 -7.929 -14.436 -2.043 1.00 11.23 C ATOM 378 CG2 ILE A 24 -5.784 -15.449 -1.228 1.00 1.24 C ATOM 379 CD1 ILE A 24 -9.262 -14.765 -1.408 1.00 31.23 C ATOM 0 H ILE A 24 -8.569 -16.059 -4.023 1.00 51.31 H new ATOM 0 HA ILE A 24 -6.068 -14.922 -3.956 1.00 74.21 H new ATOM 0 HB ILE A 24 -7.527 -16.526 -1.816 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -7.444 -13.649 -1.465 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -8.100 -14.037 -3.043 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -6.124 -15.305 -0.203 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -5.147 -16.332 -1.279 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -5.218 -14.575 -1.548 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -9.879 -13.867 -1.372 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -9.767 -15.529 -1.998 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -9.101 -15.136 -0.396 1.00 31.23 H new ATOM 391 N GLU A 25 -5.990 -18.199 -3.781 1.00 72.53 N ATOM 392 CA GLU A 25 -5.115 -19.365 -3.839 1.00 43.13 C ATOM 393 C GLU A 25 -4.326 -19.388 -5.145 1.00 2.50 C ATOM 394 O GLU A 25 -3.218 -19.920 -5.203 1.00 34.42 O ATOM 395 CB GLU A 25 -5.933 -20.650 -3.700 1.00 73.04 C ATOM 396 CG GLU A 25 -6.941 -20.613 -2.564 1.00 44.41 C ATOM 397 CD GLU A 25 -7.371 -21.996 -2.118 1.00 73.01 C ATOM 398 OE1 GLU A 25 -6.527 -22.916 -2.139 1.00 32.20 O ATOM 399 OE2 GLU A 25 -8.552 -22.159 -1.749 1.00 21.12 O1- ATOM 0 H GLU A 25 -6.984 -18.414 -3.856 1.00 72.53 H new ATOM 0 HA GLU A 25 -4.410 -19.301 -3.011 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -6.460 -20.838 -4.635 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -5.253 -21.488 -3.544 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -6.508 -20.081 -1.717 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -7.818 -20.049 -2.880 1.00 44.41 H new ATOM 406 N ALA A 26 -4.907 -18.809 -6.190 1.00 1.41 N ATOM 407 CA ALA A 26 -4.259 -18.762 -7.495 1.00 44.13 C ATOM 408 C ALA A 26 -3.061 -17.818 -7.479 1.00 13.13 C ATOM 409 O ALA A 26 -2.042 -18.085 -8.118 1.00 24.00 O ATOM 410 CB ALA A 26 -5.255 -18.335 -8.563 1.00 14.40 C ATOM 0 H ALA A 26 -5.825 -18.366 -6.159 1.00 1.41 H new ATOM 0 HA ALA A 26 -3.897 -19.763 -7.730 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.758 -18.304 -9.533 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -6.078 -19.049 -8.600 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.644 -17.345 -8.323 1.00 14.40 H new ATOM 416 N ILE A 27 -3.189 -16.718 -6.746 1.00 44.10 N ATOM 417 CA ILE A 27 -2.116 -15.737 -6.647 1.00 13.45 C ATOM 418 C ILE A 27 -0.842 -16.368 -6.096 1.00 13.44 C ATOM 419 O ILE A 27 0.219 -16.290 -6.714 1.00 54.42 O ATOM 420 CB ILE A 27 -2.518 -14.551 -5.750 1.00 20.00 C ATOM 421 CG1 ILE A 27 -3.448 -13.602 -6.508 1.00 25.54 C ATOM 422 CG2 ILE A 27 -1.280 -13.812 -5.264 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.904 -14.008 -6.448 1.00 74.33 C ATOM 0 H ILE A 27 -4.026 -16.483 -6.212 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.929 -15.371 -7.657 1.00 13.45 H new ATOM 0 HB ILE A 27 -3.052 -14.936 -4.881 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -3.342 -12.598 -6.098 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -3.135 -13.555 -7.551 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -1.580 -12.977 -4.631 1.00 13.51 H new ATOM 0 HG22 ILE A 27 -0.651 -14.493 -4.691 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.721 -13.436 -6.121 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -5.505 -13.290 -7.007 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -5.024 -14.999 -6.885 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -5.234 -14.027 -5.409 1.00 74.33 H new ATOM 435 N GLU A 28 -0.957 -16.996 -4.930 1.00 54.21 N ATOM 436 CA GLU A 28 0.186 -17.643 -4.295 1.00 54.51 C ATOM 437 C GLU A 28 0.722 -18.776 -5.165 1.00 43.41 C ATOM 438 O GLU A 28 1.932 -18.942 -5.312 1.00 43.02 O ATOM 439 CB GLU A 28 -0.205 -18.182 -2.918 1.00 64.12 C ATOM 440 CG GLU A 28 -1.525 -18.936 -2.912 1.00 40.22 C ATOM 441 CD GLU A 28 -1.784 -19.646 -1.597 1.00 51.43 C ATOM 442 OE1 GLU A 28 -0.938 -20.469 -1.190 1.00 63.03 O ATOM 443 OE2 GLU A 28 -2.834 -19.378 -0.975 1.00 75.44 O1- ATOM 0 H GLU A 28 -1.829 -17.071 -4.406 1.00 54.21 H new ATOM 0 HA GLU A 28 0.973 -16.898 -4.175 1.00 54.51 H new ATOM 0 HB2 GLU A 28 0.583 -18.844 -2.559 1.00 64.12 H new ATOM 0 HB3 GLU A 28 -0.268 -17.351 -2.216 1.00 64.12 H new ATOM 0 HG2 GLU A 28 -2.339 -18.239 -3.111 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -1.526 -19.666 -3.721 1.00 40.22 H new ATOM 450 N ALA A 29 -0.189 -19.555 -5.739 1.00 30.04 N ATOM 451 CA ALA A 29 0.190 -20.672 -6.595 1.00 12.54 C ATOM 452 C ALA A 29 1.089 -20.209 -7.735 1.00 13.03 C ATOM 453 O ALA A 29 1.926 -20.966 -8.225 1.00 61.31 O ATOM 454 CB ALA A 29 -1.050 -21.361 -7.145 1.00 31.13 C ATOM 0 H ALA A 29 -1.195 -19.433 -5.626 1.00 30.04 H new ATOM 0 HA ALA A 29 0.751 -21.386 -5.991 1.00 12.54 H new ATOM 0 HB1 ALA A 29 -0.751 -22.193 -7.782 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -1.655 -21.735 -6.319 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -1.634 -20.649 -7.728 1.00 31.13 H new ATOM 460 N ALA A 30 0.909 -18.960 -8.155 1.00 53.23 N ATOM 461 CA ALA A 30 1.706 -18.396 -9.237 1.00 23.45 C ATOM 462 C ALA A 30 3.113 -18.050 -8.761 1.00 61.02 C ATOM 463 O ALA A 30 4.098 -18.344 -9.439 1.00 51.44 O ATOM 464 CB ALA A 30 1.022 -17.162 -9.808 1.00 32.41 C ATOM 0 H ALA A 30 0.218 -18.320 -7.762 1.00 53.23 H new ATOM 0 HA ALA A 30 1.791 -19.148 -10.022 1.00 23.45 H new ATOM 0 HB1 ALA A 30 1.628 -16.751 -10.615 1.00 32.41 H new ATOM 0 HB2 ALA A 30 0.040 -17.436 -10.195 1.00 32.41 H new ATOM 0 HB3 ALA A 30 0.907 -16.414 -9.024 1.00 32.41 H new ATOM 470 N LEU A 31 3.200 -17.424 -7.593 1.00 5.35 N ATOM 471 CA LEU A 31 4.488 -17.037 -7.025 1.00 1.23 C ATOM 472 C LEU A 31 5.351 -18.265 -6.749 1.00 21.11 C ATOM 473 O LEU A 31 6.508 -18.327 -7.164 1.00 34.51 O ATOM 474 CB LEU A 31 4.280 -16.244 -5.734 1.00 45.33 C ATOM 475 CG LEU A 31 3.909 -14.771 -5.905 1.00 33.31 C ATOM 476 CD1 LEU A 31 2.407 -14.579 -5.761 1.00 53.12 C ATOM 477 CD2 LEU A 31 4.657 -13.912 -4.896 1.00 43.31 C ATOM 0 H LEU A 31 2.394 -17.173 -7.020 1.00 5.35 H new ATOM 0 HA LEU A 31 5.004 -16.408 -7.750 1.00 1.23 H new ATOM 0 HB2 LEU A 31 3.496 -16.731 -5.154 1.00 45.33 H new ATOM 0 HB3 LEU A 31 5.195 -16.302 -5.144 1.00 45.33 H new ATOM 0 HG LEU A 31 4.201 -14.457 -6.907 1.00 33.31 H new ATOM 0 HD11 LEU A 31 2.161 -13.524 -5.886 1.00 53.12 H new ATOM 0 HD12 LEU A 31 1.891 -15.164 -6.522 1.00 53.12 H new ATOM 0 HD13 LEU A 31 2.091 -14.911 -4.772 1.00 53.12 H new ATOM 0 HD21 LEU A 31 4.381 -12.866 -5.032 1.00 43.31 H new ATOM 0 HD22 LEU A 31 4.396 -14.227 -3.886 1.00 43.31 H new ATOM 0 HD23 LEU A 31 5.731 -14.026 -5.046 1.00 43.31 H new ATOM 489 N ILE A 32 4.780 -19.238 -6.048 1.00 24.45 N ATOM 490 CA ILE A 32 5.496 -20.463 -5.719 1.00 71.03 C ATOM 491 C ILE A 32 6.058 -21.125 -6.973 1.00 24.23 C ATOM 492 O ILE A 32 7.176 -21.639 -6.968 1.00 63.05 O ATOM 493 CB ILE A 32 4.588 -21.468 -4.985 1.00 60.21 C ATOM 494 CG1 ILE A 32 5.346 -22.767 -4.707 1.00 22.33 C ATOM 495 CG2 ILE A 32 3.336 -21.745 -5.805 1.00 41.15 C ATOM 496 CD1 ILE A 32 4.759 -23.579 -3.574 1.00 4.22 C ATOM 0 H ILE A 32 3.823 -19.201 -5.697 1.00 24.45 H new ATOM 0 HA ILE A 32 6.317 -20.180 -5.060 1.00 71.03 H new ATOM 0 HB ILE A 32 4.288 -21.034 -4.031 1.00 60.21 H new ATOM 0 HG12 ILE A 32 5.354 -23.374 -5.612 1.00 22.33 H new ATOM 0 HG13 ILE A 32 6.384 -22.530 -4.473 1.00 22.33 H new ATOM 0 HG21 ILE A 32 2.704 -22.457 -5.274 1.00 41.15 H new ATOM 0 HG22 ILE A 32 2.788 -20.815 -5.957 1.00 41.15 H new ATOM 0 HG23 ILE A 32 3.619 -22.162 -6.772 1.00 41.15 H new ATOM 0 HD11 ILE A 32 5.347 -24.486 -3.433 1.00 4.22 H new ATOM 0 HD12 ILE A 32 4.776 -22.990 -2.657 1.00 4.22 H new ATOM 0 HD13 ILE A 32 3.730 -23.848 -3.814 1.00 4.22 H new ATOM 508 N SER A 33 5.275 -21.106 -8.047 1.00 23.51 N ATOM 509 CA SER A 33 5.693 -21.706 -9.308 1.00 62.33 C ATOM 510 C SER A 33 6.774 -20.862 -9.978 1.00 1.44 C ATOM 511 O SER A 33 7.748 -21.392 -10.512 1.00 2.10 O ATOM 512 CB SER A 33 4.494 -21.859 -10.246 1.00 3.21 C ATOM 513 OG SER A 33 4.917 -22.055 -11.585 1.00 24.42 O ATOM 0 H SER A 33 4.348 -20.682 -8.069 1.00 23.51 H new ATOM 0 HA SER A 33 6.106 -22.692 -9.095 1.00 62.33 H new ATOM 0 HB2 SER A 33 3.884 -22.704 -9.927 1.00 3.21 H new ATOM 0 HB3 SER A 33 3.865 -20.971 -10.186 1.00 3.21 H new ATOM 0 HG SER A 33 4.133 -22.152 -12.165 1.00 24.42 H new ATOM 519 N ALA A 34 6.593 -19.546 -9.947 1.00 22.53 N ATOM 520 CA ALA A 34 7.552 -18.629 -10.549 1.00 1.34 C ATOM 521 C ALA A 34 8.932 -18.784 -9.917 1.00 52.14 C ATOM 522 O ALA A 34 9.950 -18.724 -10.605 1.00 62.24 O ATOM 523 CB ALA A 34 7.066 -17.194 -10.413 1.00 23.24 C ATOM 0 H ALA A 34 5.791 -19.091 -9.511 1.00 22.53 H new ATOM 0 HA ALA A 34 7.637 -18.874 -11.608 1.00 1.34 H new ATOM 0 HB1 ALA A 34 7.792 -16.519 -10.867 1.00 23.24 H new ATOM 0 HB2 ALA A 34 6.106 -17.086 -10.917 1.00 23.24 H new ATOM 0 HB3 ALA A 34 6.952 -16.947 -9.358 1.00 23.24 H new ATOM 529 N TYR A 35 8.957 -18.984 -8.605 1.00 60.44 N ATOM 530 CA TYR A 35 10.212 -19.145 -7.879 1.00 42.44 C ATOM 531 C TYR A 35 10.754 -20.562 -8.038 1.00 40.45 C ATOM 532 O TYR A 35 11.966 -20.778 -8.068 1.00 13.24 O ATOM 533 CB TYR A 35 10.013 -18.825 -6.398 1.00 14.41 C ATOM 534 CG TYR A 35 11.248 -19.062 -5.556 1.00 55.14 C ATOM 535 CD1 TYR A 35 12.207 -18.068 -5.401 1.00 31.21 C ATOM 536 CD2 TYR A 35 11.456 -20.278 -4.919 1.00 72.52 C ATOM 537 CE1 TYR A 35 13.337 -18.280 -4.634 1.00 13.02 C ATOM 538 CE2 TYR A 35 12.583 -20.498 -4.150 1.00 4.45 C ATOM 539 CZ TYR A 35 13.519 -19.496 -4.011 1.00 1.20 C ATOM 540 OH TYR A 35 14.643 -19.711 -3.246 1.00 72.42 O ATOM 0 H TYR A 35 8.122 -19.039 -8.021 1.00 60.44 H new ATOM 0 HA TYR A 35 10.938 -18.449 -8.299 1.00 42.44 H new ATOM 0 HB2 TYR A 35 9.709 -17.783 -6.298 1.00 14.41 H new ATOM 0 HB3 TYR A 35 9.196 -19.434 -6.010 1.00 14.41 H new ATOM 0 HD1 TYR A 35 12.067 -17.114 -5.888 1.00 31.21 H new ATOM 0 HD2 TYR A 35 10.725 -21.065 -5.026 1.00 72.52 H new ATOM 0 HE1 TYR A 35 14.073 -17.497 -4.523 1.00 13.02 H new ATOM 0 HE2 TYR A 35 12.729 -21.450 -3.661 1.00 4.45 H new ATOM 0 HH TYR A 35 15.202 -18.906 -3.252 1.00 72.42 H new ATOM 550 N LYS A 36 9.847 -21.529 -8.138 1.00 5.13 N ATOM 551 CA LYS A 36 10.231 -22.926 -8.295 1.00 11.15 C ATOM 552 C LYS A 36 10.993 -23.138 -9.599 1.00 32.14 C ATOM 553 O LYS A 36 11.908 -23.959 -9.668 1.00 62.43 O ATOM 554 CB LYS A 36 8.991 -23.823 -8.265 1.00 64.34 C ATOM 555 CG LYS A 36 9.314 -25.302 -8.142 1.00 20.30 C ATOM 556 CD LYS A 36 8.167 -26.072 -7.508 1.00 1.42 C ATOM 557 CE LYS A 36 8.097 -25.836 -6.008 1.00 45.53 C ATOM 558 NZ LYS A 36 7.585 -27.030 -5.281 1.00 21.13 N1+ ATOM 0 H LYS A 36 8.840 -21.369 -8.113 1.00 5.13 H new ATOM 0 HA LYS A 36 10.886 -23.192 -7.465 1.00 11.15 H new ATOM 0 HB2 LYS A 36 8.359 -23.527 -7.428 1.00 64.34 H new ATOM 0 HB3 LYS A 36 8.413 -23.660 -9.175 1.00 64.34 H new ATOM 0 HG2 LYS A 36 9.527 -25.712 -9.129 1.00 20.30 H new ATOM 0 HG3 LYS A 36 10.215 -25.430 -7.542 1.00 20.30 H new ATOM 0 HD2 LYS A 36 7.226 -25.770 -7.969 1.00 1.42 H new ATOM 0 HD3 LYS A 36 8.291 -27.137 -7.704 1.00 1.42 H new ATOM 0 HE2 LYS A 36 9.089 -25.581 -5.634 1.00 45.53 H new ATOM 0 HE3 LYS A 36 7.450 -24.982 -5.805 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 7.553 -26.828 -4.261 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 6.628 -27.259 -5.619 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 8.216 -27.839 -5.454 1.00 21.13 H new ATOM 572 N ARG A 37 10.611 -22.392 -10.630 1.00 74.25 N ATOM 573 CA ARG A 37 11.259 -22.498 -11.931 1.00 53.51 C ATOM 574 C ARG A 37 12.760 -22.244 -11.814 1.00 13.30 C ATOM 575 O ARG A 37 13.542 -22.696 -12.649 1.00 74.35 O ATOM 576 CB ARG A 37 10.639 -21.506 -12.917 1.00 25.33 C ATOM 577 CG ARG A 37 9.376 -22.021 -13.587 1.00 1.44 C ATOM 578 CD ARG A 37 9.699 -22.921 -14.769 1.00 4.13 C ATOM 579 NE ARG A 37 10.333 -22.184 -15.860 1.00 22.22 N ATOM 580 CZ ARG A 37 10.395 -22.631 -17.109 1.00 71.43 C ATOM 581 NH1 ARG A 37 9.867 -23.805 -17.424 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 10.989 -21.903 -18.047 1.00 43.33 N ATOM 0 H ARG A 37 9.856 -21.708 -10.589 1.00 74.25 H new ATOM 0 HA ARG A 37 11.107 -23.512 -12.302 1.00 53.51 H new ATOM 0 HB2 ARG A 37 10.409 -20.580 -12.391 1.00 25.33 H new ATOM 0 HB3 ARG A 37 11.374 -21.263 -13.684 1.00 25.33 H new ATOM 0 HG2 ARG A 37 8.777 -22.572 -12.862 1.00 1.44 H new ATOM 0 HG3 ARG A 37 8.772 -21.178 -13.924 1.00 1.44 H new ATOM 0 HD2 ARG A 37 10.359 -23.725 -14.443 1.00 4.13 H new ATOM 0 HD3 ARG A 37 8.783 -23.387 -15.131 1.00 4.13 H new ATOM 0 HE ARG A 37 10.751 -21.277 -15.651 1.00 22.22 H new ATOM 0 HH11 ARG A 37 9.411 -24.368 -16.706 1.00 64.15 H new ATOM 0 HH12 ARG A 37 9.916 -24.145 -18.384 1.00 64.15 H new ATOM 0 HH21 ARG A 37 11.398 -21.000 -17.809 1.00 43.33 H new ATOM 0 HH22 ARG A 37 11.036 -22.247 -19.006 1.00 43.33 H new ATOM 596 N ASN A 38 13.152 -21.518 -10.773 1.00 64.14 N ATOM 597 CA ASN A 38 14.558 -21.203 -10.547 1.00 2.44 C ATOM 598 C ASN A 38 15.307 -22.418 -10.006 1.00 62.25 C ATOM 599 O ASN A 38 16.386 -22.761 -10.490 1.00 62.41 O ATOM 600 CB ASN A 38 14.690 -20.032 -9.571 1.00 14.03 C ATOM 601 CG ASN A 38 14.153 -18.737 -10.147 1.00 30.51 C ATOM 602 OD1 ASN A 38 13.169 -18.152 -9.473 1.00 23.41 O flip ATOM 603 ND2 ASN A 38 14.616 -18.266 -11.186 1.00 43.51 N flip ATOM 0 H ASN A 38 12.516 -21.137 -10.072 1.00 64.14 H new ATOM 0 HA ASN A 38 15.000 -20.921 -11.503 1.00 2.44 H new ATOM 0 HB2 ASN A 38 14.155 -20.267 -8.651 1.00 14.03 H new ATOM 0 HB3 ASN A 38 15.739 -19.901 -9.305 1.00 14.03 H new ATOM 0 HD21 ASN A 38 15.372 -18.748 -11.672 1.00 43.51 H new ATOM 0 HD22 ASN A 38 14.244 -17.393 -11.561 1.00 43.51 H new ATOM 610 N PHE A 39 14.727 -23.064 -9.000 1.00 74.50 N ATOM 611 CA PHE A 39 15.339 -24.240 -8.393 1.00 13.22 C ATOM 612 C PHE A 39 14.298 -25.326 -8.140 1.00 13.23 C ATOM 613 O PHE A 39 13.970 -25.631 -6.994 1.00 12.23 O ATOM 614 CB PHE A 39 16.029 -23.862 -7.080 1.00 22.33 C ATOM 615 CG PHE A 39 17.224 -22.970 -7.265 1.00 63.55 C ATOM 616 CD1 PHE A 39 18.397 -23.467 -7.811 1.00 54.30 C ATOM 617 CD2 PHE A 39 17.174 -21.637 -6.893 1.00 1.45 C ATOM 618 CE1 PHE A 39 19.498 -22.650 -7.982 1.00 20.44 C ATOM 619 CE2 PHE A 39 18.272 -20.815 -7.062 1.00 73.20 C ATOM 620 CZ PHE A 39 19.436 -21.322 -7.606 1.00 41.30 C ATOM 0 H PHE A 39 13.834 -22.793 -8.588 1.00 74.50 H new ATOM 0 HA PHE A 39 16.083 -24.630 -9.087 1.00 13.22 H new ATOM 0 HB2 PHE A 39 15.309 -23.362 -6.432 1.00 22.33 H new ATOM 0 HB3 PHE A 39 16.341 -24.772 -6.568 1.00 22.33 H new ATOM 0 HD1 PHE A 39 18.451 -24.505 -8.106 1.00 54.30 H new ATOM 0 HD2 PHE A 39 16.267 -21.235 -6.466 1.00 1.45 H new ATOM 0 HE1 PHE A 39 20.406 -23.049 -8.409 1.00 20.44 H new ATOM 0 HE2 PHE A 39 18.220 -19.777 -6.769 1.00 73.20 H new ATOM 0 HZ PHE A 39 20.296 -20.682 -7.737 1.00 41.30 H new ATOM 630 N ASN A 40 13.782 -25.905 -9.219 1.00 5.11 N ATOM 631 CA ASN A 40 12.777 -26.957 -9.114 1.00 31.44 C ATOM 632 C ASN A 40 13.415 -28.281 -8.704 1.00 13.21 C ATOM 633 O ASN A 40 12.989 -28.912 -7.737 1.00 10.21 O ATOM 634 CB ASN A 40 12.043 -27.123 -10.446 1.00 21.11 C ATOM 635 CG ASN A 40 12.993 -27.186 -11.627 1.00 35.33 C ATOM 636 OD1 ASN A 40 13.475 -26.160 -12.106 1.00 34.12 O ATOM 637 ND2 ASN A 40 13.265 -28.397 -12.101 1.00 33.42 N ATOM 0 H ASN A 40 14.043 -25.664 -10.175 1.00 5.11 H new ATOM 0 HA ASN A 40 12.061 -26.666 -8.345 1.00 31.44 H new ATOM 0 HB2 ASN A 40 11.444 -28.033 -10.416 1.00 21.11 H new ATOM 0 HB3 ASN A 40 11.352 -26.291 -10.583 1.00 21.11 H new ATOM 0 HD21 ASN A 40 13.897 -28.504 -12.894 1.00 33.42 H new ATOM 0 HD22 ASN A 40 12.842 -29.220 -11.671 1.00 33.42 H new ATOM 644 N GLN A 41 14.437 -28.694 -9.446 1.00 42.41 N ATOM 645 CA GLN A 41 15.133 -29.942 -9.159 1.00 32.21 C ATOM 646 C GLN A 41 16.284 -29.712 -8.185 1.00 10.23 C ATOM 647 O GLN A 41 17.106 -30.600 -7.959 1.00 2.54 O ATOM 648 CB GLN A 41 15.663 -30.564 -10.453 1.00 24.30 C ATOM 649 CG GLN A 41 16.769 -29.756 -11.109 1.00 23.03 C ATOM 650 CD GLN A 41 17.112 -30.256 -12.499 1.00 60.23 C ATOM 651 OE1 GLN A 41 16.273 -30.841 -13.185 1.00 25.31 O ATOM 652 NE2 GLN A 41 18.349 -30.026 -12.923 1.00 53.52 N ATOM 0 H GLN A 41 14.801 -28.183 -10.250 1.00 42.41 H new ATOM 0 HA GLN A 41 14.422 -30.627 -8.698 1.00 32.21 H new ATOM 0 HB2 GLN A 41 16.035 -31.566 -10.239 1.00 24.30 H new ATOM 0 HB3 GLN A 41 14.838 -30.674 -11.157 1.00 24.30 H new ATOM 0 HG2 GLN A 41 16.464 -28.711 -11.168 1.00 23.03 H new ATOM 0 HG3 GLN A 41 17.661 -29.793 -10.483 1.00 23.03 H new ATOM 0 HE21 GLN A 41 19.012 -29.537 -12.321 1.00 53.52 H new ATOM 0 HE22 GLN A 41 18.636 -30.338 -13.851 1.00 53.52 H new ATOM 661 N ALA A 42 16.336 -28.515 -7.609 1.00 53.10 N ATOM 662 CA ALA A 42 17.384 -28.170 -6.658 1.00 45.11 C ATOM 663 C ALA A 42 16.867 -28.232 -5.225 1.00 30.22 C ATOM 664 O ALA A 42 17.586 -28.644 -4.314 1.00 53.42 O ATOM 665 CB ALA A 42 17.937 -26.785 -6.961 1.00 52.01 C ATOM 0 H ALA A 42 15.664 -27.768 -7.785 1.00 53.10 H new ATOM 0 HA ALA A 42 18.187 -28.900 -6.759 1.00 45.11 H new ATOM 0 HB1 ALA A 42 18.719 -26.540 -6.242 1.00 52.01 H new ATOM 0 HB2 ALA A 42 18.353 -26.772 -7.969 1.00 52.01 H new ATOM 0 HB3 ALA A 42 17.136 -26.050 -6.889 1.00 52.01 H new ATOM 671 N GLN A 43 15.618 -27.822 -5.032 1.00 44.33 N ATOM 672 CA GLN A 43 15.006 -27.832 -3.708 1.00 63.21 C ATOM 673 C GLN A 43 13.543 -27.411 -3.782 1.00 62.24 C ATOM 674 O GLN A 43 13.161 -26.602 -4.627 1.00 74.55 O ATOM 675 CB GLN A 43 15.770 -26.900 -2.765 1.00 72.12 C ATOM 676 CG GLN A 43 15.683 -27.311 -1.304 1.00 43.55 C ATOM 677 CD GLN A 43 16.019 -26.176 -0.358 1.00 74.41 C ATOM 678 OE1 GLN A 43 15.137 -25.924 0.602 1.00 53.02 O flip ATOM 679 NE2 GLN A 43 17.061 -25.532 -0.487 1.00 50.05 N flip ATOM 0 H GLN A 43 15.010 -27.479 -5.775 1.00 44.33 H new ATOM 0 HA GLN A 43 15.053 -28.850 -3.320 1.00 63.21 H new ATOM 0 HB2 GLN A 43 16.818 -26.872 -3.065 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.381 -25.888 -2.873 1.00 72.12 H new ATOM 0 HG2 GLN A 43 14.676 -27.671 -1.091 1.00 43.55 H new ATOM 0 HG3 GLN A 43 16.364 -28.143 -1.123 1.00 43.55 H new ATOM 0 HE21 GLN A 43 17.711 -25.759 -1.239 1.00 50.05 H new ATOM 0 HE22 GLN A 43 17.274 -24.771 0.158 1.00 50.05 H new ATOM 688 N ASN A 44 12.727 -27.965 -2.892 1.00 61.24 N ATOM 689 CA ASN A 44 11.303 -27.649 -2.857 1.00 5.03 C ATOM 690 C ASN A 44 11.073 -26.241 -2.315 1.00 45.14 C ATOM 691 O ASN A 44 12.022 -25.496 -2.071 1.00 15.42 O ATOM 692 CB ASN A 44 10.553 -28.668 -1.997 1.00 2.54 C ATOM 693 CG ASN A 44 10.537 -28.284 -0.529 1.00 33.50 C ATOM 694 OD1 ASN A 44 9.487 -28.295 0.114 1.00 53.44 O ATOM 695 ND2 ASN A 44 11.703 -27.942 0.006 1.00 2.43 N ATOM 0 H ASN A 44 13.027 -28.636 -2.185 1.00 61.24 H new ATOM 0 HA ASN A 44 10.921 -27.695 -3.877 1.00 5.03 H new ATOM 0 HB2 ASN A 44 9.528 -28.760 -2.357 1.00 2.54 H new ATOM 0 HB3 ASN A 44 11.019 -29.647 -2.109 1.00 2.54 H new ATOM 0 HD21 ASN A 44 11.754 -27.674 0.989 1.00 2.43 H new ATOM 0 HD22 ASN A 44 12.548 -27.948 -0.566 1.00 2.43 H new ATOM 702 N VAL A 45 9.806 -25.885 -2.129 1.00 44.30 N ATOM 703 CA VAL A 45 9.450 -24.568 -1.615 1.00 71.11 C ATOM 704 C VAL A 45 7.951 -24.465 -1.359 1.00 24.13 C ATOM 705 O VAL A 45 7.163 -25.234 -1.909 1.00 24.45 O ATOM 706 CB VAL A 45 9.872 -23.452 -2.589 1.00 60.41 C ATOM 707 CG1 VAL A 45 8.955 -23.427 -3.801 1.00 23.33 C ATOM 708 CG2 VAL A 45 9.874 -22.104 -1.883 1.00 21.34 C ATOM 0 H VAL A 45 9.009 -26.490 -2.327 1.00 44.30 H new ATOM 0 HA VAL A 45 9.986 -24.440 -0.674 1.00 71.11 H new ATOM 0 HB VAL A 45 10.885 -23.658 -2.935 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.268 -22.632 -4.478 1.00 23.33 H new ATOM 0 HG12 VAL A 45 9.008 -24.386 -4.317 1.00 23.33 H new ATOM 0 HG13 VAL A 45 7.930 -23.245 -3.478 1.00 23.33 H new ATOM 0 HG21 VAL A 45 10.174 -21.326 -2.585 1.00 21.34 H new ATOM 0 HG22 VAL A 45 8.873 -21.888 -1.508 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.576 -22.131 -1.049 1.00 21.34 H new ATOM 718 N ARG A 46 7.563 -23.509 -0.522 1.00 33.25 N ATOM 719 CA ARG A 46 6.158 -23.304 -0.193 1.00 13.25 C ATOM 720 C ARG A 46 5.875 -21.834 0.103 1.00 35.22 C ATOM 721 O ARG A 46 6.351 -21.288 1.098 1.00 45.34 O ATOM 722 CB ARG A 46 5.764 -24.162 1.012 1.00 60.23 C ATOM 723 CG ARG A 46 6.120 -25.631 0.856 1.00 34.50 C ATOM 724 CD ARG A 46 5.457 -26.482 1.929 1.00 54.54 C ATOM 725 NE ARG A 46 4.007 -26.309 1.945 1.00 74.02 N ATOM 726 CZ ARG A 46 3.200 -26.785 1.004 1.00 73.42 C ATOM 727 NH1 ARG A 46 3.698 -27.460 -0.023 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 1.891 -26.588 1.089 1.00 42.44 N ATOM 0 H ARG A 46 8.203 -22.864 -0.059 1.00 33.25 H new ATOM 0 HA ARG A 46 5.563 -23.603 -1.056 1.00 13.25 H new ATOM 0 HB2 ARG A 46 6.256 -23.770 1.902 1.00 60.23 H new ATOM 0 HB3 ARG A 46 4.690 -24.073 1.175 1.00 60.23 H new ATOM 0 HG2 ARG A 46 5.810 -25.979 -0.129 1.00 34.50 H new ATOM 0 HG3 ARG A 46 7.202 -25.752 0.911 1.00 34.50 H new ATOM 0 HD2 ARG A 46 5.695 -27.532 1.758 1.00 54.54 H new ATOM 0 HD3 ARG A 46 5.865 -26.218 2.905 1.00 54.54 H new ATOM 0 HE ARG A 46 3.591 -25.794 2.721 1.00 74.02 H new ATOM 0 HH11 ARG A 46 4.704 -27.615 -0.092 1.00 53.11 H new ATOM 0 HH12 ARG A 46 3.075 -27.824 -0.744 1.00 53.11 H new ATOM 0 HH21 ARG A 46 1.503 -26.070 1.878 1.00 42.44 H new ATOM 0 HH22 ARG A 46 1.272 -26.954 0.366 1.00 42.44 H new ATOM 742 N VAL A 47 5.100 -21.199 -0.771 1.00 13.15 N ATOM 743 CA VAL A 47 4.754 -19.792 -0.604 1.00 40.55 C ATOM 744 C VAL A 47 3.382 -19.636 0.039 1.00 21.11 C ATOM 745 O VAL A 47 2.483 -20.448 -0.187 1.00 40.40 O ATOM 746 CB VAL A 47 4.767 -19.048 -1.952 1.00 43.43 C ATOM 747 CG1 VAL A 47 4.469 -17.569 -1.749 1.00 73.12 C ATOM 748 CG2 VAL A 47 6.102 -19.240 -2.655 1.00 3.11 C ATOM 0 H VAL A 47 4.700 -21.636 -1.601 1.00 13.15 H new ATOM 0 HA VAL A 47 5.509 -19.355 0.050 1.00 40.55 H new ATOM 0 HB VAL A 47 3.986 -19.468 -2.586 1.00 43.43 H new ATOM 0 HG11 VAL A 47 4.482 -17.060 -2.713 1.00 73.12 H new ATOM 0 HG12 VAL A 47 3.486 -17.455 -1.292 1.00 73.12 H new ATOM 0 HG13 VAL A 47 5.225 -17.132 -1.097 1.00 73.12 H new ATOM 0 HG21 VAL A 47 6.092 -18.707 -3.606 1.00 3.11 H new ATOM 0 HG22 VAL A 47 6.903 -18.849 -2.028 1.00 3.11 H new ATOM 0 HG23 VAL A 47 6.269 -20.302 -2.836 1.00 3.11 H new ATOM 758 N ASP A 48 3.225 -18.588 0.839 1.00 31.11 N ATOM 759 CA ASP A 48 1.959 -18.323 1.513 1.00 72.44 C ATOM 760 C ASP A 48 1.570 -16.853 1.384 1.00 70.23 C ATOM 761 O ASP A 48 2.187 -15.981 1.996 1.00 21.40 O ATOM 762 CB ASP A 48 2.053 -18.710 2.991 1.00 33.25 C ATOM 763 CG ASP A 48 0.723 -19.165 3.556 1.00 71.03 C ATOM 764 OD1 ASP A 48 -0.139 -18.298 3.816 1.00 32.52 O1- ATOM 765 OD2 ASP A 48 0.541 -20.387 3.738 1.00 23.12 O ATOM 0 H ASP A 48 3.959 -17.908 1.037 1.00 31.11 H new ATOM 0 HA ASP A 48 1.188 -18.927 1.034 1.00 72.44 H new ATOM 0 HB2 ASP A 48 2.786 -19.508 3.109 1.00 33.25 H new ATOM 0 HB3 ASP A 48 2.415 -17.857 3.565 1.00 33.25 H new ATOM 770 N LEU A 49 0.546 -16.586 0.582 1.00 24.33 N ATOM 771 CA LEU A 49 0.075 -15.222 0.370 1.00 74.30 C ATOM 772 C LEU A 49 -0.865 -14.790 1.492 1.00 41.23 C ATOM 773 O LEU A 49 -1.768 -15.531 1.877 1.00 13.24 O ATOM 774 CB LEU A 49 -0.637 -15.111 -0.979 1.00 25.14 C ATOM 775 CG LEU A 49 -1.247 -13.748 -1.306 1.00 4.23 C ATOM 776 CD1 LEU A 49 -0.378 -12.999 -2.305 1.00 52.13 C ATOM 777 CD2 LEU A 49 -2.661 -13.910 -1.844 1.00 21.20 C ATOM 0 H LEU A 49 0.025 -17.296 0.067 1.00 24.33 H new ATOM 0 HA LEU A 49 0.941 -14.560 0.372 1.00 74.30 H new ATOM 0 HB2 LEU A 49 0.074 -15.366 -1.765 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -1.430 -15.859 -1.011 1.00 25.14 H new ATOM 0 HG LEU A 49 -1.294 -13.164 -0.387 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -0.829 -12.031 -2.525 1.00 52.13 H new ATOM 0 HD12 LEU A 49 0.615 -12.849 -1.882 1.00 52.13 H new ATOM 0 HD13 LEU A 49 -0.297 -13.579 -3.224 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -3.079 -12.929 -2.071 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -2.638 -14.513 -2.751 1.00 21.20 H new ATOM 0 HD23 LEU A 49 -3.281 -14.404 -1.095 1.00 21.20 H new ATOM 789 N ASN A 50 -0.646 -13.585 2.008 1.00 2.14 N ATOM 790 CA ASN A 50 -1.474 -13.054 3.084 1.00 51.24 C ATOM 791 C ASN A 50 -2.382 -11.939 2.572 1.00 73.32 C ATOM 792 O ASN A 50 -1.946 -10.801 2.401 1.00 30.13 O ATOM 793 CB ASN A 50 -0.596 -12.530 4.222 1.00 23.52 C ATOM 794 CG ASN A 50 -0.153 -13.631 5.165 1.00 61.45 C ATOM 795 OD1 ASN A 50 -0.130 -14.806 4.798 1.00 42.53 O ATOM 796 ND2 ASN A 50 0.201 -13.255 6.388 1.00 44.50 N ATOM 0 H ASN A 50 0.097 -12.959 1.699 1.00 2.14 H new ATOM 0 HA ASN A 50 -2.099 -13.864 3.461 1.00 51.24 H new ATOM 0 HB2 ASN A 50 0.282 -12.039 3.803 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -1.146 -11.774 4.783 1.00 23.52 H new ATOM 0 HD21 ASN A 50 0.508 -13.952 7.067 1.00 44.50 H new ATOM 0 HD22 ASN A 50 0.166 -12.269 6.649 1.00 44.50 H new ATOM 803 N ARG A 51 -3.644 -12.275 2.330 1.00 0.13 N ATOM 804 CA ARG A 51 -4.613 -11.303 1.837 1.00 51.01 C ATOM 805 C ARG A 51 -4.948 -10.275 2.914 1.00 31.24 C ATOM 806 O ARG A 51 -5.590 -9.262 2.640 1.00 2.24 O ATOM 807 CB ARG A 51 -5.889 -12.011 1.378 1.00 21.12 C ATOM 808 CG ARG A 51 -6.600 -12.767 2.489 1.00 33.14 C ATOM 809 CD ARG A 51 -8.055 -13.033 2.138 1.00 3.53 C ATOM 810 NE ARG A 51 -8.930 -11.946 2.568 1.00 0.04 N ATOM 811 CZ ARG A 51 -10.240 -11.924 2.346 1.00 72.34 C ATOM 812 NH1 ARG A 51 -10.822 -12.926 1.703 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -10.968 -10.899 2.768 1.00 73.32 N ATOM 0 H ARG A 51 -4.020 -13.213 2.467 1.00 0.13 H new ATOM 0 HA ARG A 51 -4.169 -10.783 0.988 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -6.572 -11.273 0.957 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -5.640 -12.708 0.578 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -6.090 -13.713 2.672 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -6.547 -12.192 3.414 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -8.149 -13.169 1.061 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -8.376 -13.964 2.606 1.00 3.53 H new ATOM 0 HE ARG A 51 -8.513 -11.160 3.066 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -10.264 -13.716 1.378 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -11.828 -12.908 1.533 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -10.522 -10.127 3.263 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -11.973 -10.883 2.597 1.00 73.32 H new ATOM 827 N GLU A 52 -4.509 -10.545 4.140 1.00 34.15 N ATOM 828 CA GLU A 52 -4.764 -9.644 5.257 1.00 24.22 C ATOM 829 C GLU A 52 -3.942 -8.366 5.124 1.00 0.20 C ATOM 830 O GLU A 52 -4.437 -7.266 5.373 1.00 22.35 O ATOM 831 CB GLU A 52 -4.439 -10.335 6.583 1.00 52.12 C ATOM 832 CG GLU A 52 -3.009 -10.842 6.672 1.00 75.31 C ATOM 833 CD GLU A 52 -2.744 -11.622 7.944 1.00 73.42 C ATOM 834 OE1 GLU A 52 -2.764 -11.006 9.032 1.00 52.33 O1- ATOM 835 OE2 GLU A 52 -2.514 -12.846 7.855 1.00 11.41 O ATOM 0 H GLU A 52 -3.976 -11.380 4.384 1.00 34.15 H new ATOM 0 HA GLU A 52 -5.821 -9.379 5.242 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -4.619 -9.637 7.400 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -5.122 -11.173 6.723 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -2.798 -11.476 5.811 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -2.324 -9.996 6.620 1.00 75.31 H new ATOM 842 N THR A 53 -2.681 -8.517 4.728 1.00 23.40 N ATOM 843 CA THR A 53 -1.791 -7.376 4.563 1.00 34.31 C ATOM 844 C THR A 53 -1.164 -7.366 3.173 1.00 54.44 C ATOM 845 O THR A 53 -0.166 -6.685 2.936 1.00 31.00 O ATOM 846 CB THR A 53 -0.669 -7.382 5.619 1.00 73.11 C ATOM 847 OG1 THR A 53 0.150 -8.545 5.458 1.00 13.41 O ATOM 848 CG2 THR A 53 -1.250 -7.353 7.024 1.00 32.42 C ATOM 0 H THR A 53 -2.254 -9.419 4.516 1.00 23.40 H new ATOM 0 HA THR A 53 -2.398 -6.480 4.693 1.00 34.31 H new ATOM 0 HB THR A 53 -0.060 -6.489 5.476 1.00 73.11 H new ATOM 0 HG1 THR A 53 0.861 -8.540 6.132 1.00 13.41 H new ATOM 0 HG21 THR A 53 -0.440 -7.358 7.753 1.00 32.42 H new ATOM 0 HG22 THR A 53 -1.848 -6.451 7.152 1.00 32.42 H new ATOM 0 HG23 THR A 53 -1.880 -8.230 7.176 1.00 32.42 H new ATOM 856 N GLY A 54 -1.755 -8.124 2.256 1.00 23.41 N ATOM 857 CA GLY A 54 -1.241 -8.186 0.900 1.00 44.31 C ATOM 858 C GLY A 54 0.238 -8.512 0.856 1.00 5.13 C ATOM 859 O GLY A 54 0.935 -8.142 -0.090 1.00 74.51 O ATOM 0 H GLY A 54 -2.581 -8.697 2.427 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -1.793 -8.940 0.339 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.414 -7.231 0.405 1.00 44.31 H new ATOM 863 N SER A 55 0.722 -9.204 1.882 1.00 33.40 N ATOM 864 CA SER A 55 2.130 -9.573 1.960 1.00 75.11 C ATOM 865 C SER A 55 2.346 -10.999 1.463 1.00 63.23 C ATOM 866 O SER A 55 1.388 -11.726 1.194 1.00 45.55 O ATOM 867 CB SER A 55 2.636 -9.441 3.398 1.00 55.25 C ATOM 868 OG SER A 55 3.774 -8.598 3.464 1.00 71.01 O ATOM 0 H SER A 55 0.159 -9.521 2.671 1.00 33.40 H new ATOM 0 HA SER A 55 2.693 -8.894 1.320 1.00 75.11 H new ATOM 0 HB2 SER A 55 1.844 -9.038 4.030 1.00 55.25 H new ATOM 0 HB3 SER A 55 2.887 -10.427 3.790 1.00 55.25 H new ATOM 0 HG SER A 55 4.076 -8.529 4.394 1.00 71.01 H new ATOM 874 N ILE A 56 3.609 -11.393 1.343 1.00 3.53 N ATOM 875 CA ILE A 56 3.951 -12.732 0.878 1.00 74.13 C ATOM 876 C ILE A 56 5.263 -13.208 1.493 1.00 0.40 C ATOM 877 O ILE A 56 6.187 -12.420 1.698 1.00 42.33 O ATOM 878 CB ILE A 56 4.067 -12.783 -0.657 1.00 73.52 C ATOM 879 CG1 ILE A 56 3.939 -14.225 -1.152 1.00 3.03 C ATOM 880 CG2 ILE A 56 5.388 -12.178 -1.108 1.00 41.12 C ATOM 881 CD1 ILE A 56 2.555 -14.569 -1.656 1.00 3.04 C ATOM 0 H ILE A 56 4.413 -10.804 1.561 1.00 3.53 H new ATOM 0 HA ILE A 56 3.143 -13.392 1.194 1.00 74.13 H new ATOM 0 HB ILE A 56 3.255 -12.197 -1.088 1.00 73.52 H new ATOM 0 HG12 ILE A 56 4.660 -14.392 -1.952 1.00 3.03 H new ATOM 0 HG13 ILE A 56 4.201 -14.904 -0.340 1.00 3.03 H new ATOM 0 HG21 ILE A 56 5.456 -12.221 -2.195 1.00 41.12 H new ATOM 0 HG22 ILE A 56 5.443 -11.139 -0.782 1.00 41.12 H new ATOM 0 HG23 ILE A 56 6.214 -12.739 -0.671 1.00 41.12 H new ATOM 0 HD11 ILE A 56 2.537 -15.606 -1.991 1.00 3.04 H new ATOM 0 HD12 ILE A 56 1.831 -14.435 -0.852 1.00 3.04 H new ATOM 0 HD13 ILE A 56 2.298 -13.914 -2.489 1.00 3.04 H new ATOM 893 N ARG A 57 5.340 -14.503 1.781 1.00 32.14 N ATOM 894 CA ARG A 57 6.539 -15.084 2.370 1.00 64.45 C ATOM 895 C ARG A 57 6.831 -16.456 1.767 1.00 32.01 C ATOM 896 O ARG A 57 5.957 -17.321 1.712 1.00 32.22 O ATOM 897 CB ARG A 57 6.380 -15.207 3.886 1.00 61.04 C ATOM 898 CG ARG A 57 6.313 -13.867 4.601 1.00 70.51 C ATOM 899 CD ARG A 57 7.632 -13.118 4.507 1.00 15.33 C ATOM 900 NE ARG A 57 7.895 -12.319 5.701 1.00 71.31 N ATOM 901 CZ ARG A 57 9.067 -11.751 5.962 1.00 72.11 C ATOM 902 NH1 ARG A 57 10.079 -11.893 5.118 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 9.229 -11.040 7.070 1.00 34.43 N ATOM 0 H ARG A 57 4.586 -15.169 1.616 1.00 32.14 H new ATOM 0 HA ARG A 57 7.377 -14.423 2.151 1.00 64.45 H new ATOM 0 HB2 ARG A 57 5.473 -15.771 4.103 1.00 61.04 H new ATOM 0 HB3 ARG A 57 7.216 -15.781 4.285 1.00 61.04 H new ATOM 0 HG2 ARG A 57 5.518 -13.261 4.167 1.00 70.51 H new ATOM 0 HG3 ARG A 57 6.057 -14.025 5.649 1.00 70.51 H new ATOM 0 HD2 ARG A 57 8.444 -13.831 4.362 1.00 15.33 H new ATOM 0 HD3 ARG A 57 7.618 -12.468 3.632 1.00 15.33 H new ATOM 0 HE ARG A 57 7.137 -12.190 6.371 1.00 71.31 H new ATOM 0 HH11 ARG A 57 9.959 -12.440 4.265 1.00 34.40 H new ATOM 0 HH12 ARG A 57 10.978 -11.456 5.321 1.00 34.40 H new ATOM 0 HH21 ARG A 57 8.453 -10.929 7.723 1.00 34.43 H new ATOM 0 HH22 ARG A 57 10.129 -10.604 7.269 1.00 34.43 H new ATOM 917 N VAL A 58 8.067 -16.646 1.314 1.00 42.34 N ATOM 918 CA VAL A 58 8.475 -17.911 0.716 1.00 43.54 C ATOM 919 C VAL A 58 9.379 -18.699 1.657 1.00 10.15 C ATOM 920 O VAL A 58 10.471 -18.250 2.005 1.00 73.04 O ATOM 921 CB VAL A 58 9.211 -17.689 -0.619 1.00 23.50 C ATOM 922 CG1 VAL A 58 9.361 -19.002 -1.372 1.00 55.51 C ATOM 923 CG2 VAL A 58 8.479 -16.659 -1.466 1.00 4.35 C ATOM 0 H VAL A 58 8.802 -15.940 1.350 1.00 42.34 H new ATOM 0 HA VAL A 58 7.565 -18.481 0.531 1.00 43.54 H new ATOM 0 HB VAL A 58 10.209 -17.306 -0.404 1.00 23.50 H new ATOM 0 HG11 VAL A 58 9.883 -18.825 -2.312 1.00 55.51 H new ATOM 0 HG12 VAL A 58 9.933 -19.705 -0.767 1.00 55.51 H new ATOM 0 HG13 VAL A 58 8.375 -19.418 -1.578 1.00 55.51 H new ATOM 0 HG21 VAL A 58 9.013 -16.515 -2.405 1.00 4.35 H new ATOM 0 HG22 VAL A 58 7.468 -17.010 -1.673 1.00 4.35 H new ATOM 0 HG23 VAL A 58 8.431 -15.713 -0.927 1.00 4.35 H new ATOM 933 N PHE A 59 8.917 -19.876 2.066 1.00 1.31 N ATOM 934 CA PHE A 59 9.683 -20.727 2.968 1.00 44.44 C ATOM 935 C PHE A 59 9.995 -22.070 2.316 1.00 1.24 C ATOM 936 O PHE A 59 9.204 -22.587 1.527 1.00 3.23 O ATOM 937 CB PHE A 59 8.914 -20.946 4.272 1.00 43.13 C ATOM 938 CG PHE A 59 8.542 -19.670 4.971 1.00 34.01 C ATOM 939 CD1 PHE A 59 9.520 -18.843 5.499 1.00 52.45 C ATOM 940 CD2 PHE A 59 7.214 -19.298 5.101 1.00 45.01 C ATOM 941 CE1 PHE A 59 9.182 -17.667 6.142 1.00 33.32 C ATOM 942 CE2 PHE A 59 6.869 -18.124 5.743 1.00 52.11 C ATOM 943 CZ PHE A 59 7.853 -17.308 6.265 1.00 33.22 C ATOM 0 H PHE A 59 8.015 -20.262 1.787 1.00 1.31 H new ATOM 0 HA PHE A 59 10.624 -20.224 3.190 1.00 44.44 H new ATOM 0 HB2 PHE A 59 8.007 -21.512 4.059 1.00 43.13 H new ATOM 0 HB3 PHE A 59 9.519 -21.555 4.943 1.00 43.13 H new ATOM 0 HD1 PHE A 59 10.560 -19.121 5.407 1.00 52.45 H new ATOM 0 HD2 PHE A 59 6.440 -19.933 4.696 1.00 45.01 H new ATOM 0 HE1 PHE A 59 9.954 -17.030 6.547 1.00 33.32 H new ATOM 0 HE2 PHE A 59 5.830 -17.845 5.836 1.00 52.11 H new ATOM 0 HZ PHE A 59 7.585 -16.391 6.768 1.00 33.22 H new ATOM 953 N ALA A 60 11.153 -22.630 2.650 1.00 64.33 N ATOM 954 CA ALA A 60 11.569 -23.913 2.099 1.00 61.55 C ATOM 955 C ALA A 60 11.308 -25.045 3.086 1.00 45.11 C ATOM 956 O ALA A 60 11.648 -24.944 4.265 1.00 31.21 O ATOM 957 CB ALA A 60 13.041 -23.872 1.716 1.00 21.41 C ATOM 0 H ALA A 60 11.820 -22.214 3.300 1.00 64.33 H new ATOM 0 HA ALA A 60 10.978 -24.104 1.203 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.337 -24.837 1.306 1.00 21.41 H new ATOM 0 HB2 ALA A 60 13.201 -23.096 0.968 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.641 -23.654 2.599 1.00 21.41 H new ATOM 963 N ARG A 61 10.703 -26.123 2.597 1.00 41.23 N ATOM 964 CA ARG A 61 10.396 -27.274 3.439 1.00 72.14 C ATOM 965 C ARG A 61 11.547 -28.276 3.431 1.00 20.13 C ATOM 966 O ARG A 61 11.686 -29.073 2.503 1.00 1.01 O ATOM 967 CB ARG A 61 9.111 -27.953 2.960 1.00 64.24 C ATOM 968 CG ARG A 61 8.219 -28.434 4.092 1.00 32.03 C ATOM 969 CD ARG A 61 7.106 -29.335 3.580 1.00 70.43 C ATOM 970 NE ARG A 61 5.968 -29.375 4.495 1.00 4.21 N ATOM 971 CZ ARG A 61 4.951 -30.218 4.366 1.00 31.53 C ATOM 972 NH1 ARG A 61 4.929 -31.088 3.366 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 3.951 -30.192 5.239 1.00 24.30 N ATOM 0 H ARG A 61 10.416 -26.224 1.623 1.00 41.23 H new ATOM 0 HA ARG A 61 10.254 -26.919 4.460 1.00 72.14 H new ATOM 0 HB2 ARG A 61 8.551 -27.254 2.339 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.372 -28.802 2.329 1.00 64.24 H new ATOM 0 HG2 ARG A 61 8.818 -28.975 4.824 1.00 32.03 H new ATOM 0 HG3 ARG A 61 7.786 -27.575 4.606 1.00 32.03 H new ATOM 0 HD2 ARG A 61 6.774 -28.981 2.604 1.00 70.43 H new ATOM 0 HD3 ARG A 61 7.493 -30.344 3.439 1.00 70.43 H new ATOM 0 HE ARG A 61 5.954 -28.719 5.276 1.00 4.21 H new ATOM 0 HH11 ARG A 61 5.695 -31.111 2.693 1.00 71.04 H new ATOM 0 HH12 ARG A 61 4.146 -31.735 3.270 1.00 71.04 H new ATOM 0 HH21 ARG A 61 3.964 -29.524 6.010 1.00 24.30 H new ATOM 0 HH22 ARG A 61 3.170 -30.840 5.139 1.00 24.30 H new ATOM 987 N LYS A 62 12.371 -28.229 4.473 1.00 10.33 N ATOM 988 CA LYS A 62 13.510 -29.132 4.588 1.00 21.43 C ATOM 989 C LYS A 62 13.205 -30.272 5.554 1.00 75.40 C ATOM 990 O LYS A 62 12.634 -30.057 6.623 1.00 2.42 O ATOM 991 CB LYS A 62 14.747 -28.367 5.062 1.00 43.22 C ATOM 992 CG LYS A 62 15.536 -27.726 3.933 1.00 41.54 C ATOM 993 CD LYS A 62 16.417 -26.596 4.439 1.00 43.23 C ATOM 994 CE LYS A 62 17.512 -26.254 3.441 1.00 43.44 C ATOM 995 NZ LYS A 62 17.991 -24.854 3.602 1.00 24.24 N1+ ATOM 0 H LYS A 62 12.271 -27.575 5.250 1.00 10.33 H new ATOM 0 HA LYS A 62 13.707 -29.556 3.603 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.438 -27.592 5.763 1.00 43.22 H new ATOM 0 HB3 LYS A 62 15.399 -29.049 5.608 1.00 43.22 H new ATOM 0 HG2 LYS A 62 16.154 -28.480 3.446 1.00 41.54 H new ATOM 0 HG3 LYS A 62 14.848 -27.343 3.179 1.00 41.54 H new ATOM 0 HD2 LYS A 62 15.806 -25.713 4.627 1.00 43.23 H new ATOM 0 HD3 LYS A 62 16.866 -26.881 5.390 1.00 43.23 H new ATOM 0 HE2 LYS A 62 18.348 -26.941 3.570 1.00 43.44 H new ATOM 0 HE3 LYS A 62 17.137 -26.395 2.427 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 18.737 -24.660 2.904 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 17.199 -24.197 3.454 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 18.373 -24.726 4.561 1.00 24.24 H new ATOM 1009 N ASP A 63 13.589 -31.485 5.171 1.00 23.54 N ATOM 1010 CA ASP A 63 13.359 -32.660 6.004 1.00 42.41 C ATOM 1011 C ASP A 63 14.309 -32.675 7.198 1.00 73.33 C ATOM 1012 O ASP A 63 15.526 -32.767 7.034 1.00 62.32 O ATOM 1013 CB ASP A 63 13.532 -33.937 5.182 1.00 73.01 C ATOM 1014 CG ASP A 63 12.314 -34.838 5.248 1.00 64.14 C ATOM 1015 OD1 ASP A 63 11.836 -35.105 6.369 1.00 40.11 O ATOM 1016 OD2 ASP A 63 11.841 -35.276 4.179 1.00 60.22 O1- ATOM 0 H ASP A 63 14.061 -31.680 4.288 1.00 23.54 H new ATOM 0 HA ASP A 63 12.336 -32.615 6.378 1.00 42.41 H new ATOM 0 HB2 ASP A 63 13.729 -33.673 4.143 1.00 73.01 H new ATOM 0 HB3 ASP A 63 14.404 -34.483 5.543 1.00 73.01 H new ATOM 1021 N VAL A 64 13.746 -32.582 8.398 1.00 22.25 N ATOM 1022 CA VAL A 64 14.544 -32.585 9.619 1.00 63.30 C ATOM 1023 C VAL A 64 15.099 -33.974 9.908 1.00 51.12 C ATOM 1024 O VAL A 64 14.347 -34.916 10.162 1.00 75.14 O ATOM 1025 CB VAL A 64 13.717 -32.112 10.829 1.00 43.02 C ATOM 1026 CG1 VAL A 64 14.607 -31.953 12.053 1.00 52.52 C ATOM 1027 CG2 VAL A 64 13.001 -30.808 10.509 1.00 14.04 C ATOM 0 H VAL A 64 12.741 -32.504 8.551 1.00 22.25 H new ATOM 0 HA VAL A 64 15.371 -31.893 9.460 1.00 63.30 H new ATOM 0 HB VAL A 64 12.964 -32.868 11.051 1.00 43.02 H new ATOM 0 HG11 VAL A 64 14.006 -31.618 12.899 1.00 52.52 H new ATOM 0 HG12 VAL A 64 15.070 -32.910 12.293 1.00 52.52 H new ATOM 0 HG13 VAL A 64 15.383 -31.217 11.845 1.00 52.52 H new ATOM 0 HG21 VAL A 64 12.422 -30.489 11.375 1.00 14.04 H new ATOM 0 HG22 VAL A 64 13.735 -30.041 10.261 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.333 -30.958 9.661 1.00 14.04 H new ATOM 1037 N VAL A 65 16.422 -34.097 9.869 1.00 11.54 N ATOM 1038 CA VAL A 65 17.080 -35.371 10.129 1.00 13.21 C ATOM 1039 C VAL A 65 18.407 -35.167 10.851 1.00 31.21 C ATOM 1040 O VAL A 65 19.081 -34.154 10.660 1.00 25.11 O ATOM 1041 CB VAL A 65 17.333 -36.149 8.825 1.00 54.34 C ATOM 1042 CG1 VAL A 65 16.015 -36.560 8.183 1.00 54.12 C ATOM 1043 CG2 VAL A 65 18.167 -35.318 7.862 1.00 31.51 C ATOM 0 H VAL A 65 17.059 -33.329 9.660 1.00 11.54 H new ATOM 0 HA VAL A 65 16.409 -35.949 10.764 1.00 13.21 H new ATOM 0 HB VAL A 65 17.891 -37.054 9.065 1.00 54.34 H new ATOM 0 HG11 VAL A 65 16.214 -37.109 7.263 1.00 54.12 H new ATOM 0 HG12 VAL A 65 15.458 -37.196 8.871 1.00 54.12 H new ATOM 0 HG13 VAL A 65 15.428 -35.670 7.955 1.00 54.12 H new ATOM 0 HG21 VAL A 65 18.336 -35.884 6.946 1.00 31.51 H new ATOM 0 HG22 VAL A 65 17.638 -34.395 7.626 1.00 31.51 H new ATOM 0 HG23 VAL A 65 19.125 -35.079 8.323 1.00 31.51 H new ATOM 1053 N ASP A 66 18.779 -36.137 11.680 1.00 62.52 N ATOM 1054 CA ASP A 66 20.027 -36.065 12.431 1.00 23.33 C ATOM 1055 C ASP A 66 21.203 -35.773 11.503 1.00 21.04 C ATOM 1056 O ASP A 66 22.127 -35.047 11.867 1.00 0.24 O ATOM 1057 CB ASP A 66 20.270 -37.373 13.185 1.00 11.32 C ATOM 1058 CG ASP A 66 21.410 -37.266 14.178 1.00 10.50 C ATOM 1059 OD1 ASP A 66 21.946 -36.150 14.348 1.00 75.33 O1- ATOM 1060 OD2 ASP A 66 21.771 -38.298 14.782 1.00 32.13 O ATOM 0 H ASP A 66 18.234 -36.982 11.849 1.00 62.52 H new ATOM 0 HA ASP A 66 19.943 -35.250 13.150 1.00 23.33 H new ATOM 0 HB2 ASP A 66 19.360 -37.660 13.711 1.00 11.32 H new ATOM 0 HB3 ASP A 66 20.488 -38.166 12.470 1.00 11.32 H new ATOM 1065 N GLU A 67 21.159 -36.344 10.304 1.00 15.03 N ATOM 1066 CA GLU A 67 22.222 -36.146 9.324 1.00 31.11 C ATOM 1067 C GLU A 67 21.648 -35.998 7.918 1.00 50.23 C ATOM 1068 O GLU A 67 20.703 -36.694 7.547 1.00 63.43 O ATOM 1069 CB GLU A 67 23.208 -37.316 9.365 1.00 55.42 C ATOM 1070 CG GLU A 67 23.897 -37.485 10.709 1.00 72.25 C ATOM 1071 CD GLU A 67 25.038 -38.482 10.657 1.00 31.21 C ATOM 1072 OE1 GLU A 67 25.098 -39.268 9.688 1.00 71.05 O ATOM 1073 OE2 GLU A 67 25.873 -38.475 11.585 1.00 25.33 O1- ATOM 0 H GLU A 67 20.400 -36.947 9.987 1.00 15.03 H new ATOM 0 HA GLU A 67 22.749 -35.227 9.579 1.00 31.11 H new ATOM 0 HB2 GLU A 67 22.677 -38.236 9.120 1.00 55.42 H new ATOM 0 HB3 GLU A 67 23.965 -37.170 8.594 1.00 55.42 H new ATOM 0 HG2 GLU A 67 24.278 -36.519 11.042 1.00 72.25 H new ATOM 0 HG3 GLU A 67 23.167 -37.812 11.449 1.00 72.25 H new ATOM 1080 N VAL A 68 22.224 -35.087 7.142 1.00 15.43 N ATOM 1081 CA VAL A 68 21.770 -34.847 5.778 1.00 65.11 C ATOM 1082 C VAL A 68 21.690 -36.149 4.989 1.00 4.00 C ATOM 1083 O VAL A 68 22.693 -36.838 4.804 1.00 42.11 O ATOM 1084 CB VAL A 68 22.703 -33.869 5.039 1.00 61.52 C ATOM 1085 CG1 VAL A 68 22.251 -33.684 3.598 1.00 71.34 C ATOM 1086 CG2 VAL A 68 22.756 -32.533 5.765 1.00 63.52 C ATOM 0 H VAL A 68 23.007 -34.502 7.435 1.00 15.43 H new ATOM 0 HA VAL A 68 20.776 -34.406 5.849 1.00 65.11 H new ATOM 0 HB VAL A 68 23.708 -34.291 5.028 1.00 61.52 H new ATOM 0 HG11 VAL A 68 22.922 -32.990 3.092 1.00 71.34 H new ATOM 0 HG12 VAL A 68 22.269 -34.645 3.085 1.00 71.34 H new ATOM 0 HG13 VAL A 68 21.237 -33.284 3.583 1.00 71.34 H new ATOM 0 HG21 VAL A 68 23.420 -31.854 5.230 1.00 63.52 H new ATOM 0 HG22 VAL A 68 21.755 -32.103 5.809 1.00 63.52 H new ATOM 0 HG23 VAL A 68 23.131 -32.684 6.777 1.00 63.52 H new ATOM 1096 N TYR A 69 20.490 -36.481 4.526 1.00 32.10 N ATOM 1097 CA TYR A 69 20.278 -37.702 3.759 1.00 32.14 C ATOM 1098 C TYR A 69 19.834 -37.381 2.334 1.00 61.22 C ATOM 1099 O TYR A 69 20.040 -38.172 1.414 1.00 10.20 O ATOM 1100 CB TYR A 69 19.233 -38.585 4.443 1.00 62.24 C ATOM 1101 CG TYR A 69 19.830 -39.704 5.266 1.00 44.51 C ATOM 1102 CD1 TYR A 69 20.904 -39.470 6.116 1.00 23.33 C ATOM 1103 CD2 TYR A 69 19.322 -40.995 5.192 1.00 73.44 C ATOM 1104 CE1 TYR A 69 21.454 -40.489 6.869 1.00 60.10 C ATOM 1105 CE2 TYR A 69 19.865 -42.019 5.943 1.00 1.01 C ATOM 1106 CZ TYR A 69 20.930 -41.761 6.779 1.00 34.24 C ATOM 1107 OH TYR A 69 21.474 -42.780 7.528 1.00 60.13 O ATOM 0 H TYR A 69 19.649 -35.921 4.669 1.00 32.10 H new ATOM 0 HA TYR A 69 21.225 -38.240 3.713 1.00 32.14 H new ATOM 0 HB2 TYR A 69 18.611 -37.964 5.087 1.00 62.24 H new ATOM 0 HB3 TYR A 69 18.578 -39.013 3.684 1.00 62.24 H new ATOM 0 HD1 TYR A 69 21.316 -38.474 6.189 1.00 23.33 H new ATOM 0 HD2 TYR A 69 18.489 -41.201 4.536 1.00 73.44 H new ATOM 0 HE1 TYR A 69 22.289 -40.291 7.524 1.00 60.10 H new ATOM 0 HE2 TYR A 69 19.457 -43.017 5.876 1.00 1.01 H new ATOM 0 HH TYR A 69 20.989 -43.612 7.349 1.00 60.13 H new ATOM 1117 N ASP A 70 19.225 -36.213 2.162 1.00 20.02 N ATOM 1118 CA ASP A 70 18.753 -35.783 0.850 1.00 33.31 C ATOM 1119 C ASP A 70 19.489 -34.528 0.392 1.00 24.14 C ATOM 1120 O ASP A 70 19.161 -33.419 0.809 1.00 24.10 O ATOM 1121 CB ASP A 70 17.246 -35.521 0.887 1.00 13.03 C ATOM 1122 CG ASP A 70 16.439 -36.720 0.430 1.00 63.42 C ATOM 1123 OD1 ASP A 70 17.010 -37.828 0.361 1.00 60.34 O ATOM 1124 OD2 ASP A 70 15.236 -36.550 0.141 1.00 62.25 O1- ATOM 0 H ASP A 70 19.046 -35.547 2.914 1.00 20.02 H new ATOM 0 HA ASP A 70 18.958 -36.582 0.138 1.00 33.31 H new ATOM 0 HB2 ASP A 70 16.951 -35.254 1.902 1.00 13.03 H new ATOM 0 HB3 ASP A 70 17.013 -34.666 0.252 1.00 13.03 H new ATOM 1129 N GLN A 71 20.486 -34.714 -0.467 1.00 45.13 N ATOM 1130 CA GLN A 71 21.270 -33.596 -0.980 1.00 73.34 C ATOM 1131 C GLN A 71 20.368 -32.555 -1.636 1.00 44.25 C ATOM 1132 O GLN A 71 20.719 -31.378 -1.717 1.00 55.10 O ATOM 1133 CB GLN A 71 22.310 -34.094 -1.986 1.00 71.25 C ATOM 1134 CG GLN A 71 23.493 -33.153 -2.152 1.00 52.44 C ATOM 1135 CD GLN A 71 24.690 -33.830 -2.791 1.00 44.52 C ATOM 1136 OE1 GLN A 71 24.803 -33.891 -4.016 1.00 34.54 O ATOM 1137 NE2 GLN A 71 25.592 -34.343 -1.963 1.00 51.40 N ATOM 0 H GLN A 71 20.770 -35.627 -0.822 1.00 45.13 H new ATOM 0 HA GLN A 71 21.783 -33.128 -0.140 1.00 73.34 H new ATOM 0 HB2 GLN A 71 22.675 -35.070 -1.666 1.00 71.25 H new ATOM 0 HB3 GLN A 71 21.829 -34.235 -2.954 1.00 71.25 H new ATOM 0 HG2 GLN A 71 23.193 -32.302 -2.763 1.00 52.44 H new ATOM 0 HG3 GLN A 71 23.780 -32.760 -1.177 1.00 52.44 H new ATOM 0 HE21 GLN A 71 25.458 -34.270 -0.954 1.00 51.40 H new ATOM 0 HE22 GLN A 71 26.419 -34.810 -2.335 1.00 51.40 H new ATOM 1146 N ARG A 72 19.205 -32.997 -2.105 1.00 4.45 N ATOM 1147 CA ARG A 72 18.254 -32.104 -2.756 1.00 31.14 C ATOM 1148 C ARG A 72 17.676 -31.106 -1.758 1.00 3.13 C ATOM 1149 O ARG A 72 17.549 -29.916 -2.054 1.00 25.45 O ATOM 1150 CB ARG A 72 17.125 -32.910 -3.400 1.00 14.31 C ATOM 1151 CG ARG A 72 16.387 -33.812 -2.426 1.00 43.23 C ATOM 1152 CD ARG A 72 15.380 -34.700 -3.141 1.00 44.31 C ATOM 1153 NE ARG A 72 15.330 -36.042 -2.568 1.00 31.03 N ATOM 1154 CZ ARG A 72 16.221 -36.989 -2.835 1.00 1.35 C ATOM 1155 NH1 ARG A 72 17.227 -36.743 -3.663 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 16.107 -38.187 -2.274 1.00 72.31 N ATOM 0 H ARG A 72 18.899 -33.968 -2.046 1.00 4.45 H new ATOM 0 HA ARG A 72 18.784 -31.551 -3.531 1.00 31.14 H new ATOM 0 HB2 ARG A 72 16.413 -32.222 -3.855 1.00 14.31 H new ATOM 0 HB3 ARG A 72 17.538 -33.519 -4.204 1.00 14.31 H new ATOM 0 HG2 ARG A 72 17.104 -34.433 -1.889 1.00 43.23 H new ATOM 0 HG3 ARG A 72 15.873 -33.203 -1.683 1.00 43.23 H new ATOM 0 HD2 ARG A 72 14.391 -34.245 -3.085 1.00 44.31 H new ATOM 0 HD3 ARG A 72 15.641 -34.766 -4.197 1.00 44.31 H new ATOM 0 HE ARG A 72 14.568 -36.264 -1.927 1.00 31.03 H new ATOM 0 HH11 ARG A 72 17.318 -35.824 -4.097 1.00 20.14 H new ATOM 0 HH12 ARG A 72 17.910 -37.473 -3.866 1.00 20.14 H new ATOM 0 HH21 ARG A 72 15.334 -38.380 -1.637 1.00 72.31 H new ATOM 0 HH22 ARG A 72 16.792 -38.914 -2.480 1.00 72.31 H new ATOM 1170 N LEU A 73 17.326 -31.596 -0.574 1.00 3.20 N ATOM 1171 CA LEU A 73 16.760 -30.747 0.469 1.00 51.45 C ATOM 1172 C LEU A 73 16.742 -31.471 1.811 1.00 42.22 C ATOM 1173 O LEU A 73 16.153 -32.544 1.940 1.00 32.31 O ATOM 1174 CB LEU A 73 15.342 -30.317 0.090 1.00 24.54 C ATOM 1175 CG LEU A 73 14.293 -31.428 0.043 1.00 44.12 C ATOM 1176 CD1 LEU A 73 13.364 -31.338 1.243 1.00 70.54 C ATOM 1177 CD2 LEU A 73 13.499 -31.358 -1.254 1.00 14.14 C ATOM 0 H LEU A 73 17.424 -32.577 -0.312 1.00 3.20 H new ATOM 0 HA LEU A 73 17.389 -29.862 0.563 1.00 51.45 H new ATOM 0 HB2 LEU A 73 15.010 -29.562 0.803 1.00 24.54 H new ATOM 0 HB3 LEU A 73 15.379 -29.838 -0.888 1.00 24.54 H new ATOM 0 HG LEU A 73 14.808 -32.388 0.080 1.00 44.12 H new ATOM 0 HD11 LEU A 73 12.625 -32.137 1.191 1.00 70.54 H new ATOM 0 HD12 LEU A 73 13.944 -31.439 2.160 1.00 70.54 H new ATOM 0 HD13 LEU A 73 12.857 -30.373 1.239 1.00 70.54 H new ATOM 0 HD21 LEU A 73 12.757 -32.156 -1.270 1.00 14.14 H new ATOM 0 HD22 LEU A 73 12.996 -30.393 -1.321 1.00 14.14 H new ATOM 0 HD23 LEU A 73 14.175 -31.474 -2.101 1.00 14.14 H new ATOM 1189 N GLU A 74 17.390 -30.877 2.808 1.00 52.14 N ATOM 1190 CA GLU A 74 17.447 -31.465 4.140 1.00 53.33 C ATOM 1191 C GLU A 74 17.878 -30.430 5.175 1.00 31.14 C ATOM 1192 O GLU A 74 18.403 -29.372 4.827 1.00 54.40 O ATOM 1193 CB GLU A 74 18.413 -32.651 4.157 1.00 34.50 C ATOM 1194 CG GLU A 74 17.964 -33.790 5.057 1.00 5.55 C ATOM 1195 CD GLU A 74 17.073 -34.785 4.340 1.00 50.11 C ATOM 1196 OE1 GLU A 74 16.033 -34.364 3.792 1.00 53.23 O ATOM 1197 OE2 GLU A 74 17.417 -35.986 4.325 1.00 54.12 O1- ATOM 0 H GLU A 74 17.883 -29.989 2.718 1.00 52.14 H new ATOM 0 HA GLU A 74 16.447 -31.815 4.397 1.00 53.33 H new ATOM 0 HB2 GLU A 74 18.531 -33.027 3.141 1.00 34.50 H new ATOM 0 HB3 GLU A 74 19.393 -32.305 4.485 1.00 34.50 H new ATOM 0 HG2 GLU A 74 18.841 -34.308 5.446 1.00 5.55 H new ATOM 0 HG3 GLU A 74 17.429 -33.381 5.914 1.00 5.55 H new ATOM 1204 N ILE A 75 17.652 -30.743 6.447 1.00 62.14 N ATOM 1205 CA ILE A 75 18.016 -29.840 7.531 1.00 30.31 C ATOM 1206 C ILE A 75 18.382 -30.616 8.792 1.00 75.04 C ATOM 1207 O ILE A 75 17.615 -31.455 9.262 1.00 14.04 O ATOM 1208 CB ILE A 75 16.873 -28.862 7.858 1.00 50.21 C ATOM 1209 CG1 ILE A 75 17.250 -27.982 9.052 1.00 4.55 C ATOM 1210 CG2 ILE A 75 15.587 -29.624 8.142 1.00 62.41 C ATOM 1211 CD1 ILE A 75 16.975 -26.511 8.829 1.00 31.35 C ATOM 0 H ILE A 75 17.219 -31.615 6.751 1.00 62.14 H new ATOM 0 HA ILE A 75 18.882 -29.272 7.191 1.00 30.31 H new ATOM 0 HB ILE A 75 16.708 -28.219 6.993 1.00 50.21 H new ATOM 0 HG12 ILE A 75 16.697 -28.318 9.929 1.00 4.55 H new ATOM 0 HG13 ILE A 75 18.309 -28.116 9.272 1.00 4.55 H new ATOM 0 HG21 ILE A 75 14.789 -28.918 8.371 1.00 62.41 H new ATOM 0 HG22 ILE A 75 15.311 -30.211 7.266 1.00 62.41 H new ATOM 0 HG23 ILE A 75 15.738 -30.289 8.992 1.00 62.41 H new ATOM 0 HD11 ILE A 75 17.266 -25.948 9.716 1.00 31.35 H new ATOM 0 HD12 ILE A 75 17.549 -26.160 7.971 1.00 31.35 H new ATOM 0 HD13 ILE A 75 15.912 -26.364 8.639 1.00 31.35 H new ATOM 1223 N SER A 76 19.561 -30.328 9.336 1.00 72.03 N ATOM 1224 CA SER A 76 20.030 -31.000 10.542 1.00 2.32 C ATOM 1225 C SER A 76 19.135 -30.670 11.732 1.00 11.44 C ATOM 1226 O SER A 76 18.712 -29.526 11.905 1.00 13.53 O ATOM 1227 CB SER A 76 21.474 -30.596 10.847 1.00 63.42 C ATOM 1228 OG SER A 76 22.104 -31.547 11.687 1.00 63.00 O ATOM 0 H SER A 76 20.208 -29.634 8.961 1.00 72.03 H new ATOM 0 HA SER A 76 19.990 -32.075 10.368 1.00 2.32 H new ATOM 0 HB2 SER A 76 22.033 -30.502 9.916 1.00 63.42 H new ATOM 0 HB3 SER A 76 21.487 -29.617 11.327 1.00 63.42 H new ATOM 0 HG SER A 76 23.026 -31.266 11.865 1.00 63.00 H new ATOM 1234 N ILE A 77 18.851 -31.678 12.548 1.00 32.21 N ATOM 1235 CA ILE A 77 18.006 -31.496 13.723 1.00 42.24 C ATOM 1236 C ILE A 77 18.488 -30.322 14.568 1.00 3.30 C ATOM 1237 O ILE A 77 17.684 -29.564 15.109 1.00 62.34 O ATOM 1238 CB ILE A 77 17.974 -32.764 14.596 1.00 2.05 C ATOM 1239 CG1 ILE A 77 17.103 -32.536 15.832 1.00 61.14 C ATOM 1240 CG2 ILE A 77 19.385 -33.163 15.002 1.00 44.33 C ATOM 1241 CD1 ILE A 77 15.658 -32.230 15.506 1.00 2.10 C ATOM 0 H ILE A 77 19.193 -32.630 12.418 1.00 32.21 H new ATOM 0 HA ILE A 77 16.999 -31.291 13.360 1.00 42.24 H new ATOM 0 HB ILE A 77 17.541 -33.577 14.014 1.00 2.05 H new ATOM 0 HG12 ILE A 77 17.144 -33.423 16.464 1.00 61.14 H new ATOM 0 HG13 ILE A 77 17.518 -31.712 16.412 1.00 61.14 H new ATOM 0 HG21 ILE A 77 19.346 -34.061 15.619 1.00 44.33 H new ATOM 0 HG22 ILE A 77 19.978 -33.361 14.109 1.00 44.33 H new ATOM 0 HG23 ILE A 77 19.843 -32.353 15.569 1.00 44.33 H new ATOM 0 HD11 ILE A 77 15.100 -32.080 16.430 1.00 2.10 H new ATOM 0 HD12 ILE A 77 15.605 -31.326 14.900 1.00 2.10 H new ATOM 0 HD13 ILE A 77 15.225 -33.064 14.953 1.00 2.10 H new ATOM 1253 N GLU A 78 19.805 -30.178 14.676 1.00 30.11 N ATOM 1254 CA GLU A 78 20.393 -29.094 15.455 1.00 0.34 C ATOM 1255 C GLU A 78 20.219 -27.755 14.744 1.00 42.21 C ATOM 1256 O GLU A 78 20.087 -26.714 15.384 1.00 45.21 O ATOM 1257 CB GLU A 78 21.880 -29.363 15.702 1.00 12.10 C ATOM 1258 CG GLU A 78 22.711 -29.398 14.430 1.00 52.02 C ATOM 1259 CD GLU A 78 23.949 -30.264 14.568 1.00 3.31 C ATOM 1260 OE1 GLU A 78 23.798 -31.497 14.701 1.00 41.43 O1- ATOM 1261 OE2 GLU A 78 25.068 -29.710 14.542 1.00 44.14 O ATOM 0 H GLU A 78 20.485 -30.797 14.235 1.00 30.11 H new ATOM 0 HA GLU A 78 19.875 -29.047 16.413 1.00 0.34 H new ATOM 0 HB2 GLU A 78 22.275 -28.592 16.363 1.00 12.10 H new ATOM 0 HB3 GLU A 78 21.987 -30.315 16.222 1.00 12.10 H new ATOM 0 HG2 GLU A 78 22.099 -29.773 13.610 1.00 52.02 H new ATOM 0 HG3 GLU A 78 23.009 -28.383 14.167 1.00 52.02 H new ATOM 1268 N GLU A 79 20.221 -27.793 13.414 1.00 34.12 N ATOM 1269 CA GLU A 79 20.064 -26.582 12.616 1.00 41.22 C ATOM 1270 C GLU A 79 18.700 -25.944 12.859 1.00 73.11 C ATOM 1271 O GLU A 79 18.603 -24.749 13.139 1.00 3.25 O ATOM 1272 CB GLU A 79 20.234 -26.900 11.129 1.00 40.51 C ATOM 1273 CG GLU A 79 20.213 -25.670 10.238 1.00 71.40 C ATOM 1274 CD GLU A 79 20.413 -26.007 8.773 1.00 23.32 C ATOM 1275 OE1 GLU A 79 21.358 -26.763 8.464 1.00 73.13 O1- ATOM 1276 OE2 GLU A 79 19.627 -25.514 7.938 1.00 25.22 O ATOM 0 H GLU A 79 20.329 -28.648 12.868 1.00 34.12 H new ATOM 0 HA GLU A 79 20.836 -25.874 12.919 1.00 41.22 H new ATOM 0 HB2 GLU A 79 21.177 -27.427 10.984 1.00 40.51 H new ATOM 0 HB3 GLU A 79 19.439 -27.578 10.818 1.00 40.51 H new ATOM 0 HG2 GLU A 79 19.261 -25.153 10.361 1.00 71.40 H new ATOM 0 HG3 GLU A 79 20.994 -24.981 10.558 1.00 71.40 H new ATOM 1283 N ALA A 80 17.648 -26.749 12.747 1.00 23.40 N ATOM 1284 CA ALA A 80 16.289 -26.264 12.956 1.00 41.12 C ATOM 1285 C ALA A 80 16.122 -25.684 14.356 1.00 13.05 C ATOM 1286 O ALA A 80 15.317 -24.778 14.570 1.00 13.31 O ATOM 1287 CB ALA A 80 15.288 -27.385 12.724 1.00 63.34 C ATOM 0 H ALA A 80 17.711 -27.740 12.513 1.00 23.40 H new ATOM 0 HA ALA A 80 16.099 -25.467 12.237 1.00 41.12 H new ATOM 0 HB1 ALA A 80 14.277 -27.009 12.883 1.00 63.34 H new ATOM 0 HB2 ALA A 80 15.382 -27.751 11.702 1.00 63.34 H new ATOM 0 HB3 ALA A 80 15.486 -28.200 13.421 1.00 63.34 H new ATOM 1293 N GLN A 81 16.888 -26.212 15.306 1.00 53.33 N ATOM 1294 CA GLN A 81 16.821 -25.747 16.686 1.00 55.10 C ATOM 1295 C GLN A 81 17.260 -24.290 16.791 1.00 65.05 C ATOM 1296 O GLN A 81 16.834 -23.567 17.691 1.00 13.14 O ATOM 1297 CB GLN A 81 17.698 -26.621 17.583 1.00 55.14 C ATOM 1298 CG GLN A 81 17.305 -28.091 17.574 1.00 15.04 C ATOM 1299 CD GLN A 81 16.631 -28.522 18.861 1.00 74.24 C ATOM 1300 OE1 GLN A 81 16.936 -28.008 19.938 1.00 60.45 O ATOM 1301 NE2 GLN A 81 15.708 -29.471 18.757 1.00 12.11 N ATOM 0 H GLN A 81 17.561 -26.961 15.145 1.00 53.33 H new ATOM 0 HA GLN A 81 15.785 -25.821 17.018 1.00 55.10 H new ATOM 0 HB2 GLN A 81 18.736 -26.529 17.263 1.00 55.14 H new ATOM 0 HB3 GLN A 81 17.645 -26.246 18.605 1.00 55.14 H new ATOM 0 HG2 GLN A 81 16.634 -28.279 16.736 1.00 15.04 H new ATOM 0 HG3 GLN A 81 18.194 -28.700 17.412 1.00 15.04 H new ATOM 0 HE21 GLN A 81 15.487 -29.869 17.844 1.00 12.11 H new ATOM 0 HE22 GLN A 81 15.220 -29.802 19.590 1.00 12.11 H new ATOM 1310 N GLY A 82 18.114 -23.866 15.864 1.00 10.33 N ATOM 1311 CA GLY A 82 18.597 -22.497 15.872 1.00 0.41 C ATOM 1312 C GLY A 82 17.469 -21.485 15.853 1.00 3.45 C ATOM 1313 O GLY A 82 17.585 -20.405 16.432 1.00 20.11 O ATOM 0 H GLY A 82 18.480 -24.445 15.108 1.00 10.33 H new ATOM 0 HA2 GLY A 82 19.210 -22.336 16.759 1.00 0.41 H new ATOM 0 HA3 GLY A 82 19.240 -22.337 15.006 1.00 0.41 H new ATOM 1317 N ILE A 83 16.375 -21.833 15.182 1.00 31.40 N ATOM 1318 CA ILE A 83 15.222 -20.945 15.089 1.00 1.12 C ATOM 1319 C ILE A 83 14.037 -21.501 15.872 1.00 73.35 C ATOM 1320 O ILE A 83 13.152 -20.755 16.293 1.00 13.12 O ATOM 1321 CB ILE A 83 14.798 -20.725 13.626 1.00 1.41 C ATOM 1322 CG1 ILE A 83 14.309 -22.037 13.010 1.00 4.34 C ATOM 1323 CG2 ILE A 83 15.955 -20.154 12.819 1.00 22.22 C ATOM 1324 CD1 ILE A 83 13.855 -21.899 11.574 1.00 2.43 C ATOM 0 H ILE A 83 16.263 -22.722 14.695 1.00 31.40 H new ATOM 0 HA ILE A 83 15.523 -19.990 15.519 1.00 1.12 H new ATOM 0 HB ILE A 83 13.977 -20.008 13.606 1.00 1.41 H new ATOM 0 HG12 ILE A 83 15.111 -22.773 13.060 1.00 4.34 H new ATOM 0 HG13 ILE A 83 13.484 -22.424 13.608 1.00 4.34 H new ATOM 0 HG21 ILE A 83 15.639 -20.004 11.787 1.00 22.22 H new ATOM 0 HG22 ILE A 83 16.261 -19.199 13.247 1.00 22.22 H new ATOM 0 HG23 ILE A 83 16.794 -20.849 12.845 1.00 22.22 H new ATOM 0 HD11 ILE A 83 13.522 -22.868 11.203 1.00 2.43 H new ATOM 0 HD12 ILE A 83 13.031 -21.187 11.520 1.00 2.43 H new ATOM 0 HD13 ILE A 83 14.684 -21.542 10.963 1.00 2.43 H new ATOM 1336 N HIS A 84 14.026 -22.815 16.066 1.00 63.03 N ATOM 1337 CA HIS A 84 12.951 -23.472 16.801 1.00 54.51 C ATOM 1338 C HIS A 84 13.410 -24.821 17.348 1.00 12.33 C ATOM 1339 O HIS A 84 13.391 -25.838 16.655 1.00 53.42 O ATOM 1340 CB HIS A 84 11.732 -23.663 15.900 1.00 32.52 C ATOM 1341 CG HIS A 84 10.432 -23.348 16.574 1.00 13.05 C ATOM 1342 ND1 HIS A 84 10.177 -23.650 17.895 1.00 42.33 N ATOM 1343 CD2 HIS A 84 9.311 -22.752 16.104 1.00 40.41 C ATOM 1344 CE1 HIS A 84 8.956 -23.256 18.208 1.00 4.32 C ATOM 1345 NE2 HIS A 84 8.410 -22.708 17.139 1.00 13.00 N ATOM 0 H HIS A 84 14.750 -23.447 15.724 1.00 63.03 H new ATOM 0 HA HIS A 84 12.677 -22.834 17.641 1.00 54.51 H new ATOM 0 HB2 HIS A 84 11.838 -23.029 15.020 1.00 32.52 H new ATOM 0 HB3 HIS A 84 11.709 -24.694 15.548 1.00 32.52 H new ATOM 0 HD2 HIS A 84 9.155 -22.381 15.102 1.00 40.41 H new ATOM 0 HE1 HIS A 84 8.485 -23.364 19.174 1.00 4.32 H new ATOM 0 HE2 HIS A 84 7.470 -22.315 17.090 1.00 13.00 H new ATOM 1353 N PRO A 85 13.834 -24.830 18.621 1.00 51.33 N ATOM 1354 CA PRO A 85 14.307 -26.046 19.289 1.00 21.45 C ATOM 1355 C PRO A 85 13.179 -27.037 19.553 1.00 1.12 C ATOM 1356 O PRO A 85 13.420 -28.166 19.981 1.00 55.23 O ATOM 1357 CB PRO A 85 14.883 -25.526 20.608 1.00 54.51 C ATOM 1358 CG PRO A 85 14.158 -24.249 20.860 1.00 23.33 C ATOM 1359 CD PRO A 85 13.885 -23.654 19.506 1.00 35.21 C ATOM 0 HA PRO A 85 15.028 -26.592 18.680 1.00 21.45 H new ATOM 0 HB2 PRO A 85 14.724 -26.238 21.418 1.00 54.51 H new ATOM 0 HB3 PRO A 85 15.958 -25.363 20.534 1.00 54.51 H new ATOM 0 HG2 PRO A 85 13.229 -24.428 21.402 1.00 23.33 H new ATOM 0 HG3 PRO A 85 14.758 -23.573 21.470 1.00 23.33 H new ATOM 0 HD2 PRO A 85 12.947 -23.100 19.492 1.00 35.21 H new ATOM 0 HD3 PRO A 85 14.670 -22.959 19.207 1.00 35.21 H new ATOM 1367 N GLU A 86 11.947 -26.608 19.296 1.00 11.24 N ATOM 1368 CA GLU A 86 10.782 -27.459 19.508 1.00 2.30 C ATOM 1369 C GLU A 86 10.689 -28.532 18.428 1.00 54.33 C ATOM 1370 O GLU A 86 10.009 -29.544 18.601 1.00 72.01 O ATOM 1371 CB GLU A 86 9.504 -26.618 19.519 1.00 32.11 C ATOM 1372 CG GLU A 86 9.347 -25.764 20.766 1.00 10.02 C ATOM 1373 CD GLU A 86 8.976 -26.581 21.989 1.00 32.22 C ATOM 1374 OE1 GLU A 86 8.103 -27.466 21.869 1.00 51.41 O1- ATOM 1375 OE2 GLU A 86 9.558 -26.335 23.065 1.00 32.50 O ATOM 0 H GLU A 86 11.730 -25.677 18.941 1.00 11.24 H new ATOM 0 HA GLU A 86 10.893 -27.950 20.475 1.00 2.30 H new ATOM 0 HB2 GLU A 86 9.498 -25.970 18.642 1.00 32.11 H new ATOM 0 HB3 GLU A 86 8.643 -27.280 19.432 1.00 32.11 H new ATOM 0 HG2 GLU A 86 10.279 -25.232 20.958 1.00 10.02 H new ATOM 0 HG3 GLU A 86 8.580 -25.010 20.591 1.00 10.02 H new ATOM 1382 N TYR A 87 11.376 -28.304 17.315 1.00 13.33 N ATOM 1383 CA TYR A 87 11.370 -29.250 16.205 1.00 62.40 C ATOM 1384 C TYR A 87 11.799 -30.639 16.670 1.00 30.01 C ATOM 1385 O TYR A 87 12.163 -30.832 17.829 1.00 64.21 O ATOM 1386 CB TYR A 87 12.296 -28.764 15.088 1.00 41.24 C ATOM 1387 CG TYR A 87 11.691 -27.677 14.230 1.00 51.15 C ATOM 1388 CD1 TYR A 87 10.393 -27.787 13.746 1.00 4.14 C ATOM 1389 CD2 TYR A 87 12.416 -26.537 13.904 1.00 24.43 C ATOM 1390 CE1 TYR A 87 9.837 -26.796 12.961 1.00 10.23 C ATOM 1391 CE2 TYR A 87 11.868 -25.541 13.121 1.00 41.22 C ATOM 1392 CZ TYR A 87 10.578 -25.675 12.651 1.00 73.33 C ATOM 1393 OH TYR A 87 10.027 -24.684 11.871 1.00 33.41 O ATOM 0 H TYR A 87 11.945 -27.472 17.157 1.00 13.33 H new ATOM 0 HA TYR A 87 10.352 -29.314 15.821 1.00 62.40 H new ATOM 0 HB2 TYR A 87 13.221 -28.394 15.530 1.00 41.24 H new ATOM 0 HB3 TYR A 87 12.562 -29.610 14.454 1.00 41.24 H new ATOM 0 HD1 TYR A 87 9.809 -28.663 13.988 1.00 4.14 H new ATOM 0 HD2 TYR A 87 13.426 -26.428 14.270 1.00 24.43 H new ATOM 0 HE1 TYR A 87 8.827 -26.898 12.592 1.00 10.23 H new ATOM 0 HE2 TYR A 87 12.446 -24.662 12.878 1.00 41.22 H new ATOM 0 HH TYR A 87 10.415 -23.819 12.118 1.00 33.41 H new ATOM 1403 N MET A 88 11.754 -31.602 15.755 1.00 30.33 N ATOM 1404 CA MET A 88 12.140 -32.972 16.069 1.00 15.53 C ATOM 1405 C MET A 88 12.411 -33.766 14.795 1.00 10.42 C ATOM 1406 O MET A 88 11.773 -33.545 13.766 1.00 24.25 O ATOM 1407 CB MET A 88 11.044 -33.658 16.887 1.00 14.22 C ATOM 1408 CG MET A 88 11.500 -34.944 17.556 1.00 4.24 C ATOM 1409 SD MET A 88 12.441 -34.647 19.065 1.00 21.05 S ATOM 1410 CE MET A 88 14.050 -35.277 18.591 1.00 34.51 C ATOM 0 H MET A 88 11.454 -31.459 14.791 1.00 30.33 H new ATOM 0 HA MET A 88 13.057 -32.939 16.658 1.00 15.53 H new ATOM 0 HB2 MET A 88 10.686 -32.968 17.651 1.00 14.22 H new ATOM 0 HB3 MET A 88 10.199 -33.877 16.235 1.00 14.22 H new ATOM 0 HG2 MET A 88 10.629 -35.556 17.790 1.00 4.24 H new ATOM 0 HG3 MET A 88 12.112 -35.515 16.858 1.00 4.24 H new ATOM 0 HE1 MET A 88 14.726 -35.229 19.445 1.00 34.51 H new ATOM 0 HE2 MET A 88 13.953 -36.312 18.263 1.00 34.51 H new ATOM 0 HE3 MET A 88 14.451 -34.674 17.776 1.00 34.51 H new ATOM 1420 N VAL A 89 13.363 -34.690 14.871 1.00 2.14 N ATOM 1421 CA VAL A 89 13.720 -35.518 13.724 1.00 32.25 C ATOM 1422 C VAL A 89 12.484 -36.172 13.114 1.00 31.51 C ATOM 1423 O VAL A 89 11.755 -36.896 13.790 1.00 22.02 O ATOM 1424 CB VAL A 89 14.728 -36.615 14.114 1.00 43.25 C ATOM 1425 CG1 VAL A 89 15.068 -37.480 12.911 1.00 5.33 C ATOM 1426 CG2 VAL A 89 15.984 -35.995 14.709 1.00 64.13 C ATOM 0 H VAL A 89 13.902 -34.885 15.715 1.00 2.14 H new ATOM 0 HA VAL A 89 14.180 -34.858 12.988 1.00 32.25 H new ATOM 0 HB VAL A 89 14.271 -37.253 14.871 1.00 43.25 H new ATOM 0 HG11 VAL A 89 15.781 -38.249 13.206 1.00 5.33 H new ATOM 0 HG12 VAL A 89 14.161 -37.952 12.534 1.00 5.33 H new ATOM 0 HG13 VAL A 89 15.506 -36.860 12.129 1.00 5.33 H new ATOM 0 HG21 VAL A 89 16.686 -36.784 14.979 1.00 64.13 H new ATOM 0 HG22 VAL A 89 16.446 -35.334 13.976 1.00 64.13 H new ATOM 0 HG23 VAL A 89 15.721 -35.423 15.599 1.00 64.13 H new ATOM 1436 N GLY A 90 12.257 -35.911 11.830 1.00 61.31 N ATOM 1437 CA GLY A 90 11.111 -36.483 11.149 1.00 5.34 C ATOM 1438 C GLY A 90 10.096 -35.432 10.742 1.00 73.20 C ATOM 1439 O GLY A 90 9.254 -35.676 9.876 1.00 73.05 O ATOM 0 H GLY A 90 12.846 -35.314 11.250 1.00 61.31 H new ATOM 0 HA2 GLY A 90 11.449 -37.020 10.263 1.00 5.34 H new ATOM 0 HA3 GLY A 90 10.632 -37.214 11.801 1.00 5.34 H new ATOM 1443 N ASP A 91 10.174 -34.263 11.367 1.00 14.12 N ATOM 1444 CA ASP A 91 9.254 -33.172 11.065 1.00 22.15 C ATOM 1445 C ASP A 91 9.788 -32.312 9.922 1.00 32.31 C ATOM 1446 O ASP A 91 10.788 -32.654 9.290 1.00 53.31 O ATOM 1447 CB ASP A 91 9.029 -32.309 12.307 1.00 12.13 C ATOM 1448 CG ASP A 91 7.604 -31.801 12.408 1.00 44.21 C ATOM 1449 OD1 ASP A 91 6.747 -32.542 12.934 1.00 10.52 O1- ATOM 1450 OD2 ASP A 91 7.345 -30.664 11.960 1.00 3.14 O ATOM 0 H ASP A 91 10.864 -34.046 12.086 1.00 14.12 H new ATOM 0 HA ASP A 91 8.303 -33.605 10.756 1.00 22.15 H new ATOM 0 HB2 ASP A 91 9.269 -32.890 13.198 1.00 12.13 H new ATOM 0 HB3 ASP A 91 9.713 -31.461 12.286 1.00 12.13 H new ATOM 1455 N VAL A 92 9.113 -31.197 9.663 1.00 31.51 N ATOM 1456 CA VAL A 92 9.519 -30.289 8.597 1.00 42.33 C ATOM 1457 C VAL A 92 9.687 -28.867 9.120 1.00 75.52 C ATOM 1458 O VAL A 92 8.965 -28.435 10.018 1.00 53.31 O ATOM 1459 CB VAL A 92 8.497 -30.282 7.445 1.00 41.12 C ATOM 1460 CG1 VAL A 92 8.599 -31.564 6.632 1.00 55.14 C ATOM 1461 CG2 VAL A 92 7.087 -30.095 7.986 1.00 61.45 C ATOM 0 H VAL A 92 8.283 -30.901 10.176 1.00 31.51 H new ATOM 0 HA VAL A 92 10.476 -30.651 8.222 1.00 42.33 H new ATOM 0 HB VAL A 92 8.724 -29.444 6.786 1.00 41.12 H new ATOM 0 HG11 VAL A 92 7.869 -31.541 5.823 1.00 55.14 H new ATOM 0 HG12 VAL A 92 9.602 -31.651 6.214 1.00 55.14 H new ATOM 0 HG13 VAL A 92 8.399 -32.420 7.276 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.377 -30.092 7.159 1.00 61.45 H new ATOM 0 HG22 VAL A 92 6.847 -30.912 8.667 1.00 61.45 H new ATOM 0 HG23 VAL A 92 7.025 -29.147 8.520 1.00 61.45 H new ATOM 1471 N VAL A 93 10.646 -28.142 8.553 1.00 53.22 N ATOM 1472 CA VAL A 93 10.909 -26.768 8.961 1.00 1.40 C ATOM 1473 C VAL A 93 10.822 -25.816 7.774 1.00 13.54 C ATOM 1474 O VAL A 93 11.233 -26.153 6.664 1.00 42.32 O ATOM 1475 CB VAL A 93 12.297 -26.632 9.614 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.382 -27.139 8.675 1.00 2.00 C ATOM 1477 CG2 VAL A 93 12.560 -25.186 10.011 1.00 1.50 C ATOM 0 H VAL A 93 11.254 -28.484 7.809 1.00 53.22 H new ATOM 0 HA VAL A 93 10.145 -26.503 9.692 1.00 1.40 H new ATOM 0 HB VAL A 93 12.315 -27.243 10.516 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.356 -27.035 9.154 1.00 2.00 H new ATOM 0 HG12 VAL A 93 13.202 -28.189 8.444 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.367 -26.557 7.754 1.00 2.00 H new ATOM 0 HG21 VAL A 93 13.545 -25.108 10.471 1.00 1.50 H new ATOM 0 HG22 VAL A 93 12.522 -24.553 9.125 1.00 1.50 H new ATOM 0 HG23 VAL A 93 11.801 -24.860 10.722 1.00 1.50 H new ATOM 1487 N GLU A 94 10.284 -24.623 8.015 1.00 63.33 N ATOM 1488 CA GLU A 94 10.144 -23.623 6.965 1.00 13.04 C ATOM 1489 C GLU A 94 11.045 -22.421 7.234 1.00 14.14 C ATOM 1490 O GLU A 94 10.813 -21.657 8.171 1.00 22.33 O ATOM 1491 CB GLU A 94 8.687 -23.168 6.855 1.00 72.23 C ATOM 1492 CG GLU A 94 7.912 -23.868 5.751 1.00 51.42 C ATOM 1493 CD GLU A 94 6.419 -23.898 6.014 1.00 45.35 C ATOM 1494 OE1 GLU A 94 5.929 -23.017 6.752 1.00 3.23 O ATOM 1495 OE2 GLU A 94 5.742 -24.803 5.484 1.00 11.44 O1- ATOM 0 H GLU A 94 9.939 -24.327 8.928 1.00 63.33 H new ATOM 0 HA GLU A 94 10.447 -24.078 6.022 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.187 -23.346 7.807 1.00 72.23 H new ATOM 0 HB3 GLU A 94 8.663 -22.093 6.678 1.00 72.23 H new ATOM 0 HG2 GLU A 94 8.100 -23.363 4.804 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.279 -24.889 5.646 1.00 51.42 H new ATOM 1502 N ILE A 95 12.072 -22.262 6.406 1.00 43.41 N ATOM 1503 CA ILE A 95 13.007 -21.154 6.555 1.00 24.11 C ATOM 1504 C ILE A 95 12.843 -20.142 5.425 1.00 51.42 C ATOM 1505 O ILE A 95 12.618 -20.513 4.275 1.00 43.44 O ATOM 1506 CB ILE A 95 14.466 -21.647 6.579 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.617 -22.809 7.562 1.00 21.22 C ATOM 1508 CG2 ILE A 95 15.404 -20.508 6.948 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.494 -24.171 6.913 1.00 4.40 C ATOM 0 H ILE A 95 12.277 -22.886 5.626 1.00 43.41 H new ATOM 0 HA ILE A 95 12.779 -20.674 7.507 1.00 24.11 H new ATOM 0 HB ILE A 95 14.732 -22.001 5.583 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.588 -22.736 8.052 1.00 21.22 H new ATOM 0 HG13 ILE A 95 13.859 -22.717 8.340 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.431 -20.872 6.961 1.00 24.14 H new ATOM 0 HG22 ILE A 95 15.312 -19.708 6.213 1.00 24.14 H new ATOM 0 HG23 ILE A 95 15.142 -20.126 7.935 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.612 -24.947 7.670 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.513 -24.265 6.447 1.00 4.40 H new ATOM 0 HD13 ILE A 95 15.269 -24.284 6.154 1.00 4.40 H new ATOM 1521 N GLU A 96 12.962 -18.862 5.764 1.00 15.41 N ATOM 1522 CA GLU A 96 12.828 -17.796 4.777 1.00 4.20 C ATOM 1523 C GLU A 96 13.775 -18.020 3.603 1.00 3.25 C ATOM 1524 O GLU A 96 14.993 -18.082 3.776 1.00 21.32 O ATOM 1525 CB GLU A 96 13.107 -16.437 5.422 1.00 33.11 C ATOM 1526 CG GLU A 96 14.360 -16.416 6.281 1.00 44.11 C ATOM 1527 CD GLU A 96 14.772 -15.012 6.678 1.00 24.12 C ATOM 1528 OE1 GLU A 96 14.055 -14.057 6.315 1.00 23.44 O1- ATOM 1529 OE2 GLU A 96 15.813 -14.869 7.353 1.00 64.34 O ATOM 0 H GLU A 96 13.151 -18.538 6.713 1.00 15.41 H new ATOM 0 HA GLU A 96 11.805 -17.808 4.402 1.00 4.20 H new ATOM 0 HB2 GLU A 96 13.201 -15.685 4.639 1.00 33.11 H new ATOM 0 HB3 GLU A 96 12.252 -16.153 6.035 1.00 33.11 H new ATOM 0 HG2 GLU A 96 14.190 -17.008 7.180 1.00 44.11 H new ATOM 0 HG3 GLU A 96 15.177 -16.890 5.737 1.00 44.11 H new ATOM 1536 N VAL A 97 13.209 -18.138 2.407 1.00 52.41 N ATOM 1537 CA VAL A 97 14.002 -18.354 1.203 1.00 41.24 C ATOM 1538 C VAL A 97 13.560 -17.424 0.079 1.00 64.02 C ATOM 1539 O VAL A 97 13.957 -17.592 -1.074 1.00 40.42 O ATOM 1540 CB VAL A 97 13.899 -19.812 0.717 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.541 -20.069 0.081 1.00 41.13 C ATOM 1542 CG2 VAL A 97 15.023 -20.129 -0.259 1.00 14.33 C ATOM 0 H VAL A 97 12.203 -18.088 2.246 1.00 52.41 H new ATOM 0 HA VAL A 97 15.038 -18.137 1.464 1.00 41.24 H new ATOM 0 HB VAL A 97 14.000 -20.472 1.579 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.487 -21.104 -0.256 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.755 -19.885 0.814 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.406 -19.403 -0.771 1.00 41.13 H new ATOM 0 HG21 VAL A 97 14.935 -21.163 -0.592 1.00 14.33 H new ATOM 0 HG22 VAL A 97 14.956 -19.464 -1.120 1.00 14.33 H new ATOM 0 HG23 VAL A 97 15.984 -19.988 0.235 1.00 14.33 H new ATOM 1552 N THR A 98 12.736 -16.438 0.423 1.00 74.11 N ATOM 1553 CA THR A 98 12.239 -15.480 -0.555 1.00 21.42 C ATOM 1554 C THR A 98 13.311 -14.458 -0.918 1.00 23.55 C ATOM 1555 O THR A 98 14.061 -13.981 -0.066 1.00 72.05 O ATOM 1556 CB THR A 98 10.994 -14.738 -0.034 1.00 64.13 C ATOM 1557 OG1 THR A 98 10.395 -13.982 -1.092 1.00 65.23 O ATOM 1558 CG2 THR A 98 11.359 -13.810 1.115 1.00 33.24 C ATOM 0 H THR A 98 12.399 -16.283 1.373 1.00 74.11 H new ATOM 0 HA THR A 98 11.967 -16.049 -1.444 1.00 21.42 H new ATOM 0 HB THR A 98 10.282 -15.479 0.330 1.00 64.13 H new ATOM 0 HG1 THR A 98 9.603 -13.515 -0.753 1.00 65.23 H new ATOM 0 HG21 THR A 98 10.464 -13.297 1.467 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.788 -14.392 1.931 1.00 33.24 H new ATOM 0 HG23 THR A 98 12.087 -13.075 0.772 1.00 33.24 H new ATOM 1566 N PRO A 99 13.387 -14.113 -2.211 1.00 61.42 N ATOM 1567 CA PRO A 99 14.363 -13.143 -2.716 1.00 22.35 C ATOM 1568 C PRO A 99 14.060 -11.722 -2.253 1.00 21.13 C ATOM 1569 O PRO A 99 12.930 -11.406 -1.882 1.00 4.33 O ATOM 1570 CB PRO A 99 14.220 -13.253 -4.236 1.00 33.45 C ATOM 1571 CG PRO A 99 12.831 -13.748 -4.450 1.00 23.31 C ATOM 1572 CD PRO A 99 12.525 -14.643 -3.281 1.00 75.43 C ATOM 0 HA PRO A 99 15.370 -13.351 -2.354 1.00 22.35 H new ATOM 0 HB2 PRO A 99 14.376 -12.288 -4.719 1.00 33.45 H new ATOM 0 HB3 PRO A 99 14.955 -13.941 -4.654 1.00 33.45 H new ATOM 0 HG2 PRO A 99 12.125 -12.919 -4.502 1.00 23.31 H new ATOM 0 HG3 PRO A 99 12.752 -14.294 -5.390 1.00 23.31 H new ATOM 0 HD2 PRO A 99 11.471 -14.599 -3.007 1.00 75.43 H new ATOM 0 HD3 PRO A 99 12.754 -15.685 -3.502 1.00 75.43 H new ATOM 1580 N LYS A 100 15.077 -10.867 -2.278 1.00 1.34 N ATOM 1581 CA LYS A 100 14.921 -9.479 -1.862 1.00 31.23 C ATOM 1582 C LYS A 100 14.192 -8.671 -2.932 1.00 11.53 C ATOM 1583 O LYS A 100 13.867 -7.502 -2.724 1.00 43.02 O ATOM 1584 CB LYS A 100 16.288 -8.853 -1.578 1.00 14.02 C ATOM 1585 CG LYS A 100 16.927 -9.346 -0.291 1.00 13.24 C ATOM 1586 CD LYS A 100 17.804 -8.278 0.341 1.00 51.30 C ATOM 1587 CE LYS A 100 19.188 -8.247 -0.289 1.00 60.13 C ATOM 1588 NZ LYS A 100 20.048 -7.191 0.311 1.00 62.04 N1+ ATOM 0 H LYS A 100 16.019 -11.112 -2.583 1.00 1.34 H new ATOM 0 HA LYS A 100 14.325 -9.463 -0.949 1.00 31.23 H new ATOM 0 HB2 LYS A 100 16.957 -9.068 -2.411 1.00 14.02 H new ATOM 0 HB3 LYS A 100 16.179 -7.770 -1.528 1.00 14.02 H new ATOM 0 HG2 LYS A 100 16.149 -9.642 0.412 1.00 13.24 H new ATOM 0 HG3 LYS A 100 17.525 -10.234 -0.497 1.00 13.24 H new ATOM 0 HD2 LYS A 100 17.330 -7.303 0.228 1.00 51.30 H new ATOM 0 HD3 LYS A 100 17.894 -8.466 1.411 1.00 51.30 H new ATOM 0 HE2 LYS A 100 19.666 -9.219 -0.164 1.00 60.13 H new ATOM 0 HE3 LYS A 100 19.095 -8.074 -1.361 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 20.982 -7.203 -0.146 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 19.605 -6.261 0.169 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 20.158 -7.370 1.329 1.00 62.04 H new ATOM 1602 N ASP A 101 13.940 -9.300 -4.073 1.00 23.32 N ATOM 1603 CA ASP A 101 13.246 -8.640 -5.173 1.00 41.13 C ATOM 1604 C ASP A 101 11.826 -9.176 -5.321 1.00 43.12 C ATOM 1605 O ASP A 101 11.115 -8.830 -6.265 1.00 15.43 O ATOM 1606 CB ASP A 101 14.017 -8.836 -6.480 1.00 64.01 C ATOM 1607 CG ASP A 101 15.511 -8.655 -6.305 1.00 62.02 C ATOM 1608 OD1 ASP A 101 15.973 -7.493 -6.311 1.00 24.30 O1- ATOM 1609 OD2 ASP A 101 16.220 -9.672 -6.160 1.00 12.30 O ATOM 0 H ASP A 101 14.206 -10.267 -4.261 1.00 23.32 H new ATOM 0 HA ASP A 101 13.190 -7.575 -4.948 1.00 41.13 H new ATOM 0 HB2 ASP A 101 13.818 -9.835 -6.869 1.00 64.01 H new ATOM 0 HB3 ASP A 101 13.653 -8.126 -7.223 1.00 64.01 H new ATOM 1614 N PHE A 102 11.417 -10.021 -4.380 1.00 61.52 N ATOM 1615 CA PHE A 102 10.082 -10.607 -4.407 1.00 41.25 C ATOM 1616 C PHE A 102 9.022 -9.558 -4.083 1.00 61.03 C ATOM 1617 O PHE A 102 7.847 -9.727 -4.405 1.00 73.03 O ATOM 1618 CB PHE A 102 9.991 -11.765 -3.410 1.00 42.23 C ATOM 1619 CG PHE A 102 9.307 -12.982 -3.967 1.00 43.43 C ATOM 1620 CD1 PHE A 102 9.731 -13.547 -5.158 1.00 34.02 C ATOM 1621 CD2 PHE A 102 8.240 -13.559 -3.298 1.00 61.34 C ATOM 1622 CE1 PHE A 102 9.105 -14.666 -5.673 1.00 50.23 C ATOM 1623 CE2 PHE A 102 7.609 -14.679 -3.808 1.00 54.01 C ATOM 1624 CZ PHE A 102 8.042 -15.232 -4.996 1.00 15.23 C ATOM 0 H PHE A 102 11.991 -10.315 -3.590 1.00 61.52 H new ATOM 0 HA PHE A 102 9.898 -10.986 -5.412 1.00 41.25 H new ATOM 0 HB2 PHE A 102 10.996 -12.038 -3.089 1.00 42.23 H new ATOM 0 HB3 PHE A 102 9.453 -11.429 -2.523 1.00 42.23 H new ATOM 0 HD1 PHE A 102 10.561 -13.108 -5.691 1.00 34.02 H new ATOM 0 HD2 PHE A 102 7.897 -13.130 -2.368 1.00 61.34 H new ATOM 0 HE1 PHE A 102 9.446 -15.097 -6.603 1.00 50.23 H new ATOM 0 HE2 PHE A 102 6.778 -15.120 -3.277 1.00 54.01 H new ATOM 0 HZ PHE A 102 7.550 -16.106 -5.396 1.00 15.23 H new ATOM 1634 N GLY A 103 9.448 -8.472 -3.444 1.00 33.20 N ATOM 1635 CA GLY A 103 8.524 -7.411 -3.086 1.00 14.33 C ATOM 1636 C GLY A 103 7.683 -6.956 -4.262 1.00 14.11 C ATOM 1637 O GLY A 103 6.457 -6.891 -4.168 1.00 52.21 O ATOM 0 H GLY A 103 10.416 -8.308 -3.168 1.00 33.20 H new ATOM 0 HA2 GLY A 103 7.869 -7.758 -2.287 1.00 14.33 H new ATOM 0 HA3 GLY A 103 9.084 -6.562 -2.693 1.00 14.33 H new ATOM 1641 N ARG A 104 8.341 -6.638 -5.371 1.00 11.41 N ATOM 1642 CA ARG A 104 7.645 -6.182 -6.569 1.00 21.11 C ATOM 1643 C ARG A 104 7.033 -7.359 -7.323 1.00 54.21 C ATOM 1644 O ARG A 104 5.908 -7.275 -7.815 1.00 35.02 O ATOM 1645 CB ARG A 104 8.606 -5.421 -7.485 1.00 50.22 C ATOM 1646 CG ARG A 104 9.077 -4.096 -6.906 1.00 72.45 C ATOM 1647 CD ARG A 104 8.171 -2.950 -7.329 1.00 22.14 C ATOM 1648 NE ARG A 104 8.884 -1.676 -7.374 1.00 50.51 N ATOM 1649 CZ ARG A 104 8.279 -0.499 -7.488 1.00 32.33 C ATOM 1650 NH1 ARG A 104 6.958 -0.434 -7.568 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 8.997 0.617 -7.521 1.00 63.54 N ATOM 0 H ARG A 104 9.355 -6.687 -5.466 1.00 11.41 H new ATOM 0 HA ARG A 104 6.842 -5.513 -6.260 1.00 21.11 H new ATOM 0 HB2 ARG A 104 9.474 -6.048 -7.689 1.00 50.22 H new ATOM 0 HB3 ARG A 104 8.115 -5.237 -8.440 1.00 50.22 H new ATOM 0 HG2 ARG A 104 9.100 -4.161 -5.818 1.00 72.45 H new ATOM 0 HG3 ARG A 104 10.097 -3.896 -7.235 1.00 72.45 H new ATOM 0 HD2 ARG A 104 7.750 -3.165 -8.311 1.00 22.14 H new ATOM 0 HD3 ARG A 104 7.335 -2.873 -6.634 1.00 22.14 H new ATOM 0 HE ARG A 104 9.902 -1.691 -7.315 1.00 50.51 H new ATOM 0 HH11 ARG A 104 6.403 -1.289 -7.542 1.00 65.42 H new ATOM 0 HH12 ARG A 104 6.496 0.471 -7.655 1.00 65.42 H new ATOM 0 HH21 ARG A 104 10.014 0.571 -7.459 1.00 63.54 H new ATOM 0 HH22 ARG A 104 8.532 1.520 -7.609 1.00 63.54 H new ATOM 1665 N ILE A 105 7.782 -8.454 -7.409 1.00 74.15 N ATOM 1666 CA ILE A 105 7.313 -9.647 -8.101 1.00 51.42 C ATOM 1667 C ILE A 105 5.978 -10.122 -7.536 1.00 31.22 C ATOM 1668 O ILE A 105 5.126 -10.623 -8.268 1.00 32.23 O ATOM 1669 CB ILE A 105 8.336 -10.794 -8.003 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.681 -10.358 -8.589 1.00 71.02 C ATOM 1671 CG2 ILE A 105 7.816 -12.031 -8.720 1.00 4.21 C ATOM 1672 CD1 ILE A 105 10.816 -11.303 -8.264 1.00 51.01 C ATOM 0 H ILE A 105 8.716 -8.539 -7.008 1.00 74.15 H new ATOM 0 HA ILE A 105 7.185 -9.374 -9.148 1.00 51.42 H new ATOM 0 HB ILE A 105 8.482 -11.042 -6.952 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.587 -10.275 -9.672 1.00 71.02 H new ATOM 0 HG13 ILE A 105 9.927 -9.365 -8.213 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.550 -12.833 -8.642 1.00 4.21 H new ATOM 0 HG22 ILE A 105 6.880 -12.350 -8.262 1.00 4.21 H new ATOM 0 HG23 ILE A 105 7.645 -11.797 -9.771 1.00 4.21 H new ATOM 0 HD11 ILE A 105 11.738 -10.932 -8.711 1.00 51.01 H new ATOM 0 HD12 ILE A 105 10.937 -11.368 -7.183 1.00 51.01 H new ATOM 0 HD13 ILE A 105 10.592 -12.292 -8.664 1.00 51.01 H new ATOM 1684 N ALA A 106 5.803 -9.959 -6.229 1.00 52.13 N ATOM 1685 CA ALA A 106 4.572 -10.367 -5.565 1.00 0.32 C ATOM 1686 C ALA A 106 3.353 -9.755 -6.247 1.00 11.13 C ATOM 1687 O ALA A 106 2.400 -10.458 -6.585 1.00 42.22 O ATOM 1688 CB ALA A 106 4.609 -9.975 -4.095 1.00 60.32 C ATOM 0 H ALA A 106 6.500 -9.547 -5.608 1.00 52.13 H new ATOM 0 HA ALA A 106 4.491 -11.452 -5.638 1.00 0.32 H new ATOM 0 HB1 ALA A 106 3.683 -10.286 -3.612 1.00 60.32 H new ATOM 0 HB2 ALA A 106 5.454 -10.464 -3.609 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.717 -8.894 -4.009 1.00 60.32 H new ATOM 1694 N ALA A 107 3.388 -8.442 -6.446 1.00 54.24 N ATOM 1695 CA ALA A 107 2.286 -7.736 -7.088 1.00 40.42 C ATOM 1696 C ALA A 107 2.138 -8.162 -8.545 1.00 61.51 C ATOM 1697 O ALA A 107 1.030 -8.427 -9.012 1.00 62.23 O ATOM 1698 CB ALA A 107 2.497 -6.233 -6.995 1.00 41.43 C ATOM 0 H ALA A 107 4.168 -7.845 -6.172 1.00 54.24 H new ATOM 0 HA ALA A 107 1.366 -7.995 -6.565 1.00 40.42 H new ATOM 0 HB1 ALA A 107 1.667 -5.718 -7.478 1.00 41.43 H new ATOM 0 HB2 ALA A 107 2.547 -5.937 -5.947 1.00 41.43 H new ATOM 0 HB3 ALA A 107 3.429 -5.965 -7.493 1.00 41.43 H new ATOM 1704 N GLN A 108 3.258 -8.224 -9.256 1.00 63.24 N ATOM 1705 CA GLN A 108 3.251 -8.617 -10.660 1.00 24.31 C ATOM 1706 C GLN A 108 2.683 -10.022 -10.830 1.00 33.31 C ATOM 1707 O GLN A 108 2.086 -10.342 -11.859 1.00 5.33 O ATOM 1708 CB GLN A 108 4.666 -8.552 -11.238 1.00 74.24 C ATOM 1709 CG GLN A 108 4.724 -8.804 -12.735 1.00 10.13 C ATOM 1710 CD GLN A 108 6.045 -8.382 -13.347 1.00 34.33 C ATOM 1711 OE1 GLN A 108 6.987 -8.029 -12.637 1.00 30.11 O ATOM 1712 NE2 GLN A 108 6.122 -8.415 -14.672 1.00 30.20 N ATOM 0 H GLN A 108 4.182 -8.007 -8.883 1.00 63.24 H new ATOM 0 HA GLN A 108 2.613 -7.919 -11.202 1.00 24.31 H new ATOM 0 HB2 GLN A 108 5.091 -7.571 -11.027 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.291 -9.286 -10.730 1.00 74.24 H new ATOM 0 HG2 GLN A 108 4.561 -9.864 -12.928 1.00 10.13 H new ATOM 0 HG3 GLN A 108 3.913 -8.263 -13.222 1.00 10.13 H new ATOM 0 HE21 GLN A 108 5.317 -8.714 -15.222 1.00 30.20 H new ATOM 0 HE22 GLN A 108 6.986 -8.141 -15.140 1.00 30.20 H new ATOM 1721 N THR A 109 2.873 -10.858 -9.814 1.00 14.35 N ATOM 1722 CA THR A 109 2.381 -12.230 -9.851 1.00 1.22 C ATOM 1723 C THR A 109 0.919 -12.302 -9.428 1.00 5.53 C ATOM 1724 O THR A 109 0.157 -13.124 -9.933 1.00 22.25 O ATOM 1725 CB THR A 109 3.215 -13.150 -8.938 1.00 63.33 C ATOM 1726 OG1 THR A 109 4.609 -12.979 -9.213 1.00 62.10 O ATOM 1727 CG2 THR A 109 2.828 -14.607 -9.141 1.00 43.12 C ATOM 0 H THR A 109 3.364 -10.609 -8.955 1.00 14.35 H new ATOM 0 HA THR A 109 2.474 -12.572 -10.882 1.00 1.22 H new ATOM 0 HB THR A 109 3.014 -12.878 -7.902 1.00 63.33 H new ATOM 0 HG1 THR A 109 4.862 -12.046 -9.052 1.00 62.10 H new ATOM 0 HG21 THR A 109 3.429 -15.238 -8.486 1.00 43.12 H new ATOM 0 HG22 THR A 109 1.773 -14.740 -8.903 1.00 43.12 H new ATOM 0 HG23 THR A 109 3.004 -14.889 -10.179 1.00 43.12 H new ATOM 1735 N ALA A 110 0.534 -11.433 -8.497 1.00 1.34 N ATOM 1736 CA ALA A 110 -0.839 -11.397 -8.008 1.00 65.20 C ATOM 1737 C ALA A 110 -1.770 -10.761 -9.034 1.00 34.15 C ATOM 1738 O ALA A 110 -2.923 -11.169 -9.179 1.00 63.40 O ATOM 1739 CB ALA A 110 -0.908 -10.642 -6.689 1.00 42.13 C ATOM 0 H ALA A 110 1.153 -10.746 -8.067 1.00 1.34 H new ATOM 0 HA ALA A 110 -1.169 -12.423 -7.845 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -1.939 -10.622 -6.335 1.00 42.13 H new ATOM 0 HB2 ALA A 110 -0.280 -11.141 -5.951 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.555 -9.621 -6.835 1.00 42.13 H new ATOM 1745 N LYS A 111 -1.265 -9.757 -9.743 1.00 4.43 N ATOM 1746 CA LYS A 111 -2.051 -9.063 -10.756 1.00 13.33 C ATOM 1747 C LYS A 111 -2.246 -9.940 -11.988 1.00 33.32 C ATOM 1748 O LYS A 111 -3.339 -9.999 -12.552 1.00 3.05 O ATOM 1749 CB LYS A 111 -1.368 -7.753 -11.153 1.00 20.42 C ATOM 1750 CG LYS A 111 0.047 -7.939 -11.675 1.00 74.20 C ATOM 1751 CD LYS A 111 0.081 -7.973 -13.194 1.00 34.11 C ATOM 1752 CE LYS A 111 0.421 -6.609 -13.774 1.00 74.34 C ATOM 1753 NZ LYS A 111 0.301 -6.592 -15.258 1.00 63.44 N1+ ATOM 0 H LYS A 111 -0.314 -9.406 -9.634 1.00 4.43 H new ATOM 0 HA LYS A 111 -3.030 -8.841 -10.331 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -1.966 -7.258 -11.918 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -1.343 -7.089 -10.289 1.00 20.42 H new ATOM 0 HG2 LYS A 111 0.679 -7.127 -11.314 1.00 74.20 H new ATOM 0 HG3 LYS A 111 0.463 -8.866 -11.280 1.00 74.20 H new ATOM 0 HD2 LYS A 111 0.817 -8.705 -13.526 1.00 34.11 H new ATOM 0 HD3 LYS A 111 -0.887 -8.300 -13.574 1.00 34.11 H new ATOM 0 HE2 LYS A 111 -0.243 -5.857 -13.347 1.00 74.34 H new ATOM 0 HE3 LYS A 111 1.437 -6.336 -13.489 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 0.541 -5.645 -15.615 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 0.953 -7.292 -15.667 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 -0.675 -6.828 -15.530 1.00 63.44 H new ATOM 1767 N GLN A 112 -1.182 -10.622 -12.399 1.00 52.54 N ATOM 1768 CA GLN A 112 -1.238 -11.497 -13.564 1.00 10.21 C ATOM 1769 C GLN A 112 -2.255 -12.615 -13.357 1.00 0.31 C ATOM 1770 O GLN A 112 -2.866 -13.097 -14.311 1.00 14.34 O ATOM 1771 CB GLN A 112 0.141 -12.092 -13.848 1.00 41.41 C ATOM 1772 CG GLN A 112 0.410 -13.389 -13.102 1.00 33.01 C ATOM 1773 CD GLN A 112 -0.098 -14.607 -13.849 1.00 31.12 C ATOM 1774 OE1 GLN A 112 -0.627 -14.495 -14.956 1.00 53.14 O ATOM 1775 NE2 GLN A 112 0.060 -15.779 -13.246 1.00 73.33 N ATOM 0 H GLN A 112 -0.271 -10.585 -11.942 1.00 52.54 H new ATOM 0 HA GLN A 112 -1.551 -10.900 -14.420 1.00 10.21 H new ATOM 0 HB2 GLN A 112 0.236 -12.272 -14.919 1.00 41.41 H new ATOM 0 HB3 GLN A 112 0.905 -11.363 -13.578 1.00 41.41 H new ATOM 0 HG2 GLN A 112 1.482 -13.491 -12.934 1.00 33.01 H new ATOM 0 HG3 GLN A 112 -0.064 -13.345 -12.121 1.00 33.01 H new ATOM 0 HE21 GLN A 112 0.504 -15.825 -12.329 1.00 73.33 H new ATOM 0 HE22 GLN A 112 -0.262 -16.634 -13.700 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.430 -13.023 -12.104 1.00 42.44 N ATOM 1785 CA VAL A 113 -3.373 -14.084 -11.771 1.00 53.54 C ATOM 1786 C VAL A 113 -4.811 -13.584 -11.843 1.00 33.44 C ATOM 1787 O VAL A 113 -5.637 -14.137 -12.570 1.00 10.35 O ATOM 1788 CB VAL A 113 -3.108 -14.649 -10.363 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -4.189 -15.648 -9.976 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.730 -15.290 -10.297 1.00 71.43 C ATOM 0 H VAL A 113 -1.931 -12.635 -11.303 1.00 42.44 H new ATOM 0 HA VAL A 113 -3.230 -14.876 -12.506 1.00 53.54 H new ATOM 0 HB VAL A 113 -3.135 -13.826 -9.649 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -3.985 -16.037 -8.978 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -5.160 -15.153 -9.981 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -4.197 -16.471 -10.691 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -1.560 -15.684 -9.295 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.672 -16.103 -11.021 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -0.970 -14.543 -10.527 1.00 71.43 H new ATOM 1800 N VAL A 114 -5.105 -12.531 -11.085 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.443 -11.955 -11.064 1.00 44.31 C ATOM 1802 C VAL A 114 -6.896 -11.563 -12.467 1.00 24.40 C ATOM 1803 O VAL A 114 -8.056 -11.758 -12.834 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.506 -10.714 -10.153 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -6.353 -11.116 -8.693 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.439 -9.707 -10.551 1.00 62.43 C ATOM 0 H VAL A 114 -4.434 -12.061 -10.478 1.00 62.31 H new ATOM 0 HA VAL A 114 -7.110 -12.722 -10.670 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.481 -10.243 -10.276 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -6.400 -10.227 -8.064 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -7.157 -11.798 -8.417 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -5.392 -11.611 -8.551 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -5.498 -8.837 -9.897 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.454 -10.165 -10.458 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -5.599 -9.396 -11.584 1.00 62.43 H new ATOM 1816 N THR A 115 -5.973 -11.012 -13.249 1.00 11.13 N ATOM 1817 CA THR A 115 -6.276 -10.593 -14.611 1.00 33.11 C ATOM 1818 C THR A 115 -6.933 -11.721 -15.400 1.00 25.41 C ATOM 1819 O THR A 115 -7.899 -11.499 -16.128 1.00 0.53 O ATOM 1820 CB THR A 115 -5.006 -10.135 -15.353 1.00 14.23 C ATOM 1821 OG1 THR A 115 -4.430 -9.006 -14.686 1.00 20.24 O ATOM 1822 CG2 THR A 115 -5.325 -9.770 -16.796 1.00 72.31 C ATOM 0 H THR A 115 -5.009 -10.846 -12.962 1.00 11.13 H new ATOM 0 HA THR A 115 -6.968 -9.754 -14.537 1.00 33.11 H new ATOM 0 HB THR A 115 -4.293 -10.960 -15.352 1.00 14.23 H new ATOM 0 HG1 THR A 115 -4.065 -9.288 -13.821 1.00 20.24 H new ATOM 0 HG21 THR A 115 -4.413 -9.450 -17.300 1.00 72.31 H new ATOM 0 HG22 THR A 115 -5.737 -10.639 -17.309 1.00 72.31 H new ATOM 0 HG23 THR A 115 -6.054 -8.959 -16.814 1.00 72.31 H new ATOM 1830 N GLN A 116 -6.401 -12.930 -15.247 1.00 72.25 N ATOM 1831 CA GLN A 116 -6.938 -14.092 -15.947 1.00 54.01 C ATOM 1832 C GLN A 116 -8.351 -14.410 -15.471 1.00 61.15 C ATOM 1833 O GLN A 116 -9.255 -14.623 -16.279 1.00 62.10 O ATOM 1834 CB GLN A 116 -6.030 -15.305 -15.733 1.00 65.13 C ATOM 1835 CG GLN A 116 -4.617 -15.108 -16.257 1.00 43.44 C ATOM 1836 CD GLN A 116 -3.643 -16.132 -15.710 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -3.561 -16.345 -14.501 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -2.898 -16.775 -16.602 1.00 23.42 N ATOM 0 H GLN A 116 -5.601 -13.130 -14.647 1.00 72.25 H new ATOM 0 HA GLN A 116 -6.978 -13.858 -17.011 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -5.985 -15.531 -14.668 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -6.473 -16.171 -16.224 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -4.626 -15.166 -17.345 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -4.272 -14.108 -15.994 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -2.999 -16.567 -17.595 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -2.225 -17.477 -16.294 1.00 23.42 H new ATOM 1847 N ARG A 117 -8.535 -14.440 -14.155 1.00 54.30 N ATOM 1848 CA ARG A 117 -9.838 -14.734 -13.571 1.00 0.51 C ATOM 1849 C ARG A 117 -10.903 -13.786 -14.117 1.00 2.44 C ATOM 1850 O ARG A 117 -12.079 -14.139 -14.198 1.00 12.00 O ATOM 1851 CB ARG A 117 -9.774 -14.624 -12.047 1.00 31.12 C ATOM 1852 CG ARG A 117 -8.599 -15.365 -11.431 1.00 40.43 C ATOM 1853 CD ARG A 117 -8.546 -16.810 -11.898 1.00 72.54 C ATOM 1854 NE ARG A 117 -9.808 -17.508 -11.665 1.00 64.15 N ATOM 1855 CZ ARG A 117 -9.941 -18.828 -11.731 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -8.895 -19.589 -12.020 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -11.123 -19.388 -11.506 1.00 63.20 N ATOM 0 H ARG A 117 -7.797 -14.264 -13.473 1.00 54.30 H new ATOM 0 HA ARG A 117 -10.110 -15.754 -13.843 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -9.715 -13.572 -11.770 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -10.700 -15.013 -11.624 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -7.670 -14.861 -11.697 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -8.678 -15.335 -10.344 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -8.307 -16.839 -12.961 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -7.743 -17.330 -11.376 1.00 72.54 H new ATOM 0 HE ARG A 117 -10.632 -16.951 -11.439 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -7.985 -19.161 -12.192 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -9.000 -20.602 -12.070 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -11.929 -18.805 -11.282 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -11.225 -20.402 -11.557 1.00 63.20 H new ATOM 1871 N VAL A 118 -10.482 -12.581 -14.488 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.399 -11.583 -15.026 1.00 4.21 C ATOM 1873 C VAL A 118 -11.910 -11.992 -16.402 1.00 14.31 C ATOM 1874 O VAL A 118 -13.045 -11.689 -16.769 1.00 21.50 O ATOM 1875 CB VAL A 118 -10.726 -10.202 -15.129 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -11.754 -9.131 -15.464 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -9.996 -9.865 -13.838 1.00 2.43 C ATOM 0 H VAL A 118 -9.512 -12.272 -14.426 1.00 41.12 H new ATOM 0 HA VAL A 118 -12.239 -11.519 -14.335 1.00 4.21 H new ATOM 0 HB VAL A 118 -9.993 -10.235 -15.935 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -11.260 -8.162 -15.533 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -12.227 -9.366 -16.418 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -12.512 -9.097 -14.682 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -9.527 -8.885 -13.930 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -10.706 -9.851 -13.011 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -9.231 -10.617 -13.646 1.00 2.43 H new