USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=15 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 Set 1.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 20 LYS NZ :NH3+ 164:sc= -0.569 (180deg=-1.27) 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 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -178:sc= -0.577 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN :FLIP amide:sc= -1.83! C(o=-2.5!,f=-1.8!) USER MOD Single : A 44 ASN : amide:sc= -1.7 K(o=-1.7,f=-7.4!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -51:sc= 1.19 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= -0.252 K(o=-0.25,f=-1.3) USER MOD Single : A 76 SER OG : rot 180:sc= 0.535 USER MOD Single : A 81 GLN : amide:sc= -0.0292 K(o=-0.029,f=-0.95) USER MOD Single : A 84 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-2.4) USER MOD Single : A 87 TYR OH : rot 150:sc= -0.946! USER MOD Single : A 88 MET CE :methyl 160:sc= -0.22 (180deg=-0.851) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.746 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 109 THR OG1 : rot 71:sc= 1.19 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.6) USER MOD Single : A 115 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 116 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 40 N GLU A 4 -1.355 -3.946 -3.660 1.00 74.53 N ATOM 41 CA GLU A 4 -2.247 -3.781 -4.802 1.00 44.43 C ATOM 42 C GLU A 4 -3.035 -5.061 -5.066 1.00 72.00 C ATOM 43 O GLU A 4 -4.181 -5.016 -5.515 1.00 41.22 O ATOM 44 CB GLU A 4 -1.450 -3.393 -6.048 1.00 55.41 C ATOM 45 CG GLU A 4 -2.320 -3.087 -7.256 1.00 51.52 C ATOM 46 CD GLU A 4 -3.022 -1.747 -7.145 1.00 0.52 C ATOM 47 OE1 GLU A 4 -2.928 -1.116 -6.072 1.00 52.33 O1- ATOM 48 OE2 GLU A 4 -3.664 -1.330 -8.131 1.00 44.14 O ATOM 0 HA GLU A 4 -2.952 -2.983 -4.568 1.00 44.43 H new ATOM 0 HB2 GLU A 4 -0.839 -2.520 -5.821 1.00 55.41 H new ATOM 0 HB3 GLU A 4 -0.767 -4.204 -6.299 1.00 55.41 H new ATOM 0 HG2 GLU A 4 -1.704 -3.097 -8.155 1.00 51.52 H new ATOM 0 HG3 GLU A 4 -3.065 -3.875 -7.372 1.00 51.52 H new ATOM 55 N LEU A 5 -2.412 -6.200 -4.785 1.00 43.24 N ATOM 56 CA LEU A 5 -3.053 -7.494 -4.993 1.00 13.32 C ATOM 57 C LEU A 5 -4.397 -7.557 -4.274 1.00 63.44 C ATOM 58 O LEU A 5 -5.345 -8.177 -4.758 1.00 51.25 O ATOM 59 CB LEU A 5 -2.145 -8.620 -4.499 1.00 63.32 C ATOM 60 CG LEU A 5 -2.047 -8.788 -2.983 1.00 2.52 C ATOM 61 CD1 LEU A 5 -1.421 -10.130 -2.634 1.00 32.23 C ATOM 62 CD2 LEU A 5 -1.244 -7.648 -2.371 1.00 74.41 C ATOM 0 H LEU A 5 -1.464 -6.254 -4.413 1.00 43.24 H new ATOM 0 HA LEU A 5 -3.227 -7.618 -6.062 1.00 13.32 H new ATOM 0 HB2 LEU A 5 -2.499 -9.558 -4.926 1.00 63.32 H new ATOM 0 HB3 LEU A 5 -1.142 -8.449 -4.891 1.00 63.32 H new ATOM 0 HG LEU A 5 -3.054 -8.761 -2.568 1.00 2.52 H new ATOM 0 HD11 LEU A 5 -1.359 -10.232 -1.551 1.00 32.23 H new ATOM 0 HD12 LEU A 5 -2.035 -10.934 -3.040 1.00 32.23 H new ATOM 0 HD13 LEU A 5 -0.420 -10.187 -3.061 1.00 32.23 H new ATOM 0 HD21 LEU A 5 -1.184 -7.784 -1.291 1.00 74.41 H new ATOM 0 HD22 LEU A 5 -0.239 -7.644 -2.792 1.00 74.41 H new ATOM 0 HD23 LEU A 5 -1.733 -6.699 -2.591 1.00 74.41 H new ATOM 74 N LEU A 6 -4.473 -6.909 -3.116 1.00 10.52 N ATOM 75 CA LEU A 6 -5.703 -6.889 -2.330 1.00 13.21 C ATOM 76 C LEU A 6 -6.853 -6.288 -3.133 1.00 51.12 C ATOM 77 O LEU A 6 -7.976 -6.791 -3.098 1.00 73.12 O ATOM 78 CB LEU A 6 -5.494 -6.094 -1.041 1.00 44.03 C ATOM 79 CG LEU A 6 -4.508 -6.691 -0.036 1.00 1.52 C ATOM 80 CD1 LEU A 6 -4.190 -5.687 1.062 1.00 31.20 C ATOM 81 CD2 LEU A 6 -5.065 -7.975 0.559 1.00 22.10 C ATOM 0 H LEU A 6 -3.699 -6.391 -2.701 1.00 10.52 H new ATOM 0 HA LEU A 6 -5.961 -7.917 -2.077 1.00 13.21 H new ATOM 0 HB2 LEU A 6 -5.151 -5.094 -1.306 1.00 44.03 H new ATOM 0 HB3 LEU A 6 -6.459 -5.979 -0.548 1.00 44.03 H new ATOM 0 HG LEU A 6 -3.583 -6.929 -0.562 1.00 1.52 H new ATOM 0 HD11 LEU A 6 -3.487 -6.130 1.767 1.00 31.20 H new ATOM 0 HD12 LEU A 6 -3.748 -4.794 0.621 1.00 31.20 H new ATOM 0 HD13 LEU A 6 -5.107 -5.417 1.585 1.00 31.20 H new ATOM 0 HD21 LEU A 6 -4.350 -8.386 1.272 1.00 22.10 H new ATOM 0 HD22 LEU A 6 -6.004 -7.762 1.069 1.00 22.10 H new ATOM 0 HD23 LEU A 6 -5.240 -8.699 -0.237 1.00 22.10 H new ATOM 93 N ASP A 7 -6.563 -5.211 -3.854 1.00 4.52 N ATOM 94 CA ASP A 7 -7.572 -4.542 -4.667 1.00 25.12 C ATOM 95 C ASP A 7 -7.912 -5.371 -5.902 1.00 33.21 C ATOM 96 O ASP A 7 -9.029 -5.311 -6.415 1.00 24.02 O ATOM 97 CB ASP A 7 -7.082 -3.156 -5.089 1.00 34.32 C ATOM 98 CG ASP A 7 -8.209 -2.263 -5.566 1.00 10.52 C ATOM 99 OD1 ASP A 7 -9.288 -2.282 -4.936 1.00 34.22 O ATOM 100 OD2 ASP A 7 -8.015 -1.545 -6.569 1.00 22.32 O1- ATOM 0 H ASP A 7 -5.638 -4.783 -3.892 1.00 4.52 H new ATOM 0 HA ASP A 7 -8.474 -4.433 -4.064 1.00 25.12 H new ATOM 0 HB2 ASP A 7 -6.577 -2.681 -4.248 1.00 34.32 H new ATOM 0 HB3 ASP A 7 -6.345 -3.262 -5.885 1.00 34.32 H new ATOM 105 N ALA A 8 -6.941 -6.147 -6.374 1.00 74.43 N ATOM 106 CA ALA A 8 -7.138 -6.989 -7.547 1.00 44.45 C ATOM 107 C ALA A 8 -8.320 -7.932 -7.353 1.00 72.11 C ATOM 108 O ALA A 8 -9.185 -8.046 -8.222 1.00 71.43 O ATOM 109 CB ALA A 8 -5.872 -7.779 -7.847 1.00 72.11 C ATOM 0 H ALA A 8 -6.010 -6.210 -5.962 1.00 74.43 H new ATOM 0 HA ALA A 8 -7.359 -6.342 -8.396 1.00 44.45 H new ATOM 0 HB1 ALA A 8 -6.033 -8.404 -8.726 1.00 72.11 H new ATOM 0 HB2 ALA A 8 -5.050 -7.090 -8.038 1.00 72.11 H new ATOM 0 HB3 ALA A 8 -5.626 -8.410 -6.993 1.00 72.11 H new ATOM 115 N LEU A 9 -8.350 -8.607 -6.210 1.00 65.10 N ATOM 116 CA LEU A 9 -9.427 -9.542 -5.902 1.00 30.43 C ATOM 117 C LEU A 9 -10.770 -8.822 -5.827 1.00 2.51 C ATOM 118 O LEU A 9 -11.766 -9.282 -6.387 1.00 14.11 O ATOM 119 CB LEU A 9 -9.145 -10.258 -4.580 1.00 54.45 C ATOM 120 CG LEU A 9 -7.751 -10.868 -4.430 1.00 52.20 C ATOM 121 CD1 LEU A 9 -7.388 -11.017 -2.961 1.00 21.41 C ATOM 122 CD2 LEU A 9 -7.679 -12.213 -5.139 1.00 32.24 C ATOM 0 H LEU A 9 -7.641 -8.525 -5.481 1.00 65.10 H new ATOM 0 HA LEU A 9 -9.475 -10.278 -6.704 1.00 30.43 H new ATOM 0 HB2 LEU A 9 -9.299 -9.549 -3.766 1.00 54.45 H new ATOM 0 HB3 LEU A 9 -9.882 -11.051 -4.455 1.00 54.45 H new ATOM 0 HG LEU A 9 -7.029 -10.196 -4.894 1.00 52.20 H new ATOM 0 HD11 LEU A 9 -6.393 -11.453 -2.875 1.00 21.41 H new ATOM 0 HD12 LEU A 9 -7.398 -10.038 -2.483 1.00 21.41 H new ATOM 0 HD13 LEU A 9 -8.113 -11.668 -2.471 1.00 21.41 H new ATOM 0 HD21 LEU A 9 -6.680 -12.633 -5.022 1.00 32.24 H new ATOM 0 HD22 LEU A 9 -8.412 -12.893 -4.704 1.00 32.24 H new ATOM 0 HD23 LEU A 9 -7.894 -12.077 -6.199 1.00 32.24 H new ATOM 134 N THR A 10 -10.789 -7.688 -5.135 1.00 42.42 N ATOM 135 CA THR A 10 -12.008 -6.903 -4.988 1.00 45.22 C ATOM 136 C THR A 10 -12.639 -6.608 -6.344 1.00 33.22 C ATOM 137 O THR A 10 -13.853 -6.736 -6.514 1.00 71.53 O ATOM 138 CB THR A 10 -11.734 -5.571 -4.263 1.00 10.42 C ATOM 139 OG1 THR A 10 -11.044 -5.816 -3.032 1.00 72.25 O ATOM 140 CG2 THR A 10 -13.034 -4.831 -3.982 1.00 62.04 C ATOM 0 H THR A 10 -9.974 -7.292 -4.667 1.00 42.42 H new ATOM 0 HA THR A 10 -12.698 -7.499 -4.391 1.00 45.22 H new ATOM 0 HB THR A 10 -11.113 -4.951 -4.910 1.00 10.42 H new ATOM 0 HG1 THR A 10 -10.872 -4.965 -2.578 1.00 72.25 H new ATOM 0 HG21 THR A 10 -12.816 -3.894 -3.470 1.00 62.04 H new ATOM 0 HG22 THR A 10 -13.543 -4.620 -4.922 1.00 62.04 H new ATOM 0 HG23 THR A 10 -13.675 -5.448 -3.352 1.00 62.04 H new ATOM 148 N ILE A 11 -11.810 -6.217 -7.305 1.00 32.10 N ATOM 149 CA ILE A 11 -12.288 -5.907 -8.647 1.00 21.23 C ATOM 150 C ILE A 11 -13.094 -7.066 -9.224 1.00 62.33 C ATOM 151 O ILE A 11 -14.068 -6.859 -9.950 1.00 65.32 O ATOM 152 CB ILE A 11 -11.123 -5.582 -9.599 1.00 71.24 C ATOM 153 CG1 ILE A 11 -10.330 -4.380 -9.079 1.00 53.43 C ATOM 154 CG2 ILE A 11 -11.644 -5.313 -11.003 1.00 64.41 C ATOM 155 CD1 ILE A 11 -8.847 -4.465 -9.366 1.00 14.01 C ATOM 0 H ILE A 11 -10.804 -6.107 -7.180 1.00 32.10 H new ATOM 0 HA ILE A 11 -12.929 -5.030 -8.559 1.00 21.23 H new ATOM 0 HB ILE A 11 -10.456 -6.443 -9.640 1.00 71.24 H new ATOM 0 HG12 ILE A 11 -10.727 -3.470 -9.529 1.00 53.43 H new ATOM 0 HG13 ILE A 11 -10.479 -4.294 -8.003 1.00 53.43 H new ATOM 0 HG21 ILE A 11 -10.808 -5.085 -11.664 1.00 64.41 H new ATOM 0 HG22 ILE A 11 -12.168 -6.195 -11.372 1.00 64.41 H new ATOM 0 HG23 ILE A 11 -12.330 -4.466 -10.980 1.00 64.41 H new ATOM 0 HD11 ILE A 11 -8.348 -3.580 -8.970 1.00 14.01 H new ATOM 0 HD12 ILE A 11 -8.435 -5.356 -8.893 1.00 14.01 H new ATOM 0 HD13 ILE A 11 -8.687 -4.519 -10.443 1.00 14.01 H new ATOM 167 N LEU A 12 -12.683 -8.286 -8.897 1.00 75.15 N ATOM 168 CA LEU A 12 -13.367 -9.480 -9.381 1.00 35.45 C ATOM 169 C LEU A 12 -14.704 -9.668 -8.670 1.00 52.41 C ATOM 170 O LEU A 12 -15.645 -10.221 -9.235 1.00 23.30 O ATOM 171 CB LEU A 12 -12.489 -10.715 -9.175 1.00 52.11 C ATOM 172 CG LEU A 12 -11.007 -10.548 -9.513 1.00 0.22 C ATOM 173 CD1 LEU A 12 -10.273 -11.873 -9.368 1.00 0.53 C ATOM 174 CD2 LEU A 12 -10.840 -9.996 -10.921 1.00 60.44 C ATOM 0 H LEU A 12 -11.879 -8.475 -8.298 1.00 75.15 H new ATOM 0 HA LEU A 12 -13.558 -9.352 -10.446 1.00 35.45 H new ATOM 0 HB2 LEU A 12 -12.571 -11.025 -8.133 1.00 52.11 H new ATOM 0 HB3 LEU A 12 -12.890 -11.527 -9.782 1.00 52.11 H new ATOM 0 HG LEU A 12 -10.572 -9.837 -8.811 1.00 0.22 H new ATOM 0 HD11 LEU A 12 -9.220 -11.734 -9.613 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -10.363 -12.229 -8.342 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -10.709 -12.607 -10.046 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -9.779 -9.884 -11.144 1.00 60.44 H new ATOM 0 HD22 LEU A 12 -11.291 -10.683 -11.637 1.00 60.44 H new ATOM 0 HD23 LEU A 12 -11.330 -9.025 -10.992 1.00 60.44 H new ATOM 186 N GLU A 13 -14.778 -9.200 -7.428 1.00 2.20 N ATOM 187 CA GLU A 13 -16.000 -9.316 -6.641 1.00 73.44 C ATOM 188 C GLU A 13 -17.151 -8.571 -7.310 1.00 24.32 C ATOM 189 O GLU A 13 -18.317 -8.926 -7.141 1.00 32.15 O ATOM 190 CB GLU A 13 -15.777 -8.771 -5.228 1.00 53.14 C ATOM 191 CG GLU A 13 -16.767 -9.304 -4.207 1.00 32.32 C ATOM 192 CD GLU A 13 -18.119 -8.622 -4.294 1.00 22.03 C ATOM 193 OE1 GLU A 13 -18.160 -7.434 -4.679 1.00 34.44 O1- ATOM 194 OE2 GLU A 13 -19.135 -9.276 -3.977 1.00 5.24 O ATOM 0 H GLU A 13 -14.007 -8.738 -6.946 1.00 2.20 H new ATOM 0 HA GLU A 13 -16.262 -10.372 -6.578 1.00 73.44 H new ATOM 0 HB2 GLU A 13 -14.766 -9.021 -4.906 1.00 53.14 H new ATOM 0 HB3 GLU A 13 -15.843 -7.683 -5.253 1.00 53.14 H new ATOM 0 HG2 GLU A 13 -16.895 -10.376 -4.356 1.00 32.32 H new ATOM 0 HG3 GLU A 13 -16.359 -9.168 -3.205 1.00 32.32 H new ATOM 201 N LYS A 14 -16.813 -7.535 -8.070 1.00 41.41 N ATOM 202 CA LYS A 14 -17.817 -6.738 -8.766 1.00 53.15 C ATOM 203 C LYS A 14 -18.748 -7.628 -9.583 1.00 32.03 C ATOM 204 O LYS A 14 -19.918 -7.302 -9.779 1.00 33.02 O ATOM 205 CB LYS A 14 -17.141 -5.714 -9.681 1.00 52.04 C ATOM 206 CG LYS A 14 -18.021 -4.523 -10.018 1.00 23.23 C ATOM 207 CD LYS A 14 -17.412 -3.673 -11.120 1.00 74.34 C ATOM 208 CE LYS A 14 -18.457 -2.792 -11.787 1.00 0.54 C ATOM 209 NZ LYS A 14 -18.950 -1.727 -10.870 1.00 44.11 N1+ ATOM 0 H LYS A 14 -15.852 -7.227 -8.220 1.00 41.41 H new ATOM 0 HA LYS A 14 -18.410 -6.212 -8.017 1.00 53.15 H new ATOM 0 HB2 LYS A 14 -16.230 -5.357 -9.201 1.00 52.04 H new ATOM 0 HB3 LYS A 14 -16.842 -6.207 -10.606 1.00 52.04 H new ATOM 0 HG2 LYS A 14 -19.005 -4.873 -10.329 1.00 23.23 H new ATOM 0 HG3 LYS A 14 -18.167 -3.914 -9.126 1.00 23.23 H new ATOM 0 HD2 LYS A 14 -16.621 -3.049 -10.704 1.00 74.34 H new ATOM 0 HD3 LYS A 14 -16.950 -4.319 -11.866 1.00 74.34 H new ATOM 0 HE2 LYS A 14 -18.030 -2.334 -12.679 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -19.296 -3.407 -12.114 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -19.661 -1.148 -11.361 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -19.380 -2.164 -10.030 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -18.154 -1.125 -10.578 1.00 44.11 H new ATOM 223 N GLU A 15 -18.220 -8.753 -10.055 1.00 31.13 N ATOM 224 CA GLU A 15 -19.006 -9.690 -10.851 1.00 10.21 C ATOM 225 C GLU A 15 -20.047 -10.396 -9.987 1.00 74.31 C ATOM 226 O GLU A 15 -20.204 -10.087 -8.806 1.00 23.34 O ATOM 227 CB GLU A 15 -18.092 -10.723 -11.512 1.00 45.25 C ATOM 228 CG GLU A 15 -17.080 -10.115 -12.469 1.00 55.15 C ATOM 229 CD GLU A 15 -17.704 -9.113 -13.420 1.00 24.20 C ATOM 230 OE1 GLU A 15 -17.767 -7.917 -13.064 1.00 1.53 O ATOM 231 OE2 GLU A 15 -18.130 -9.523 -14.520 1.00 50.25 O1- ATOM 0 H GLU A 15 -17.253 -9.038 -9.901 1.00 31.13 H new ATOM 0 HA GLU A 15 -19.524 -9.125 -11.626 1.00 10.21 H new ATOM 0 HB2 GLU A 15 -17.561 -11.275 -10.737 1.00 45.25 H new ATOM 0 HB3 GLU A 15 -18.704 -11.444 -12.054 1.00 45.25 H new ATOM 0 HG2 GLU A 15 -16.293 -9.625 -11.896 1.00 55.15 H new ATOM 0 HG3 GLU A 15 -16.607 -10.910 -13.045 1.00 55.15 H new ATOM 238 N LYS A 16 -20.758 -11.345 -10.586 1.00 54.02 N ATOM 239 CA LYS A 16 -21.786 -12.097 -9.874 1.00 15.32 C ATOM 240 C LYS A 16 -21.533 -13.597 -9.980 1.00 60.10 C ATOM 241 O LYS A 16 -21.375 -14.134 -11.075 1.00 20.10 O ATOM 242 CB LYS A 16 -23.170 -11.761 -10.431 1.00 20.41 C ATOM 243 CG LYS A 16 -24.301 -12.500 -9.736 1.00 32.52 C ATOM 244 CD LYS A 16 -24.551 -11.951 -8.341 1.00 20.11 C ATOM 245 CE LYS A 16 -25.482 -12.854 -7.546 1.00 73.12 C ATOM 246 NZ LYS A 16 -26.912 -12.496 -7.753 1.00 30.23 N1+ ATOM 0 H LYS A 16 -20.642 -11.612 -11.563 1.00 54.02 H new ATOM 0 HA LYS A 16 -21.747 -11.813 -8.822 1.00 15.32 H new ATOM 0 HB2 LYS A 16 -23.338 -10.688 -10.340 1.00 20.41 H new ATOM 0 HB3 LYS A 16 -23.192 -11.998 -11.495 1.00 20.41 H new ATOM 0 HG2 LYS A 16 -25.211 -12.416 -10.330 1.00 32.52 H new ATOM 0 HG3 LYS A 16 -24.059 -13.561 -9.673 1.00 32.52 H new ATOM 0 HD2 LYS A 16 -23.603 -11.849 -7.813 1.00 20.11 H new ATOM 0 HD3 LYS A 16 -24.984 -10.953 -8.414 1.00 20.11 H new ATOM 0 HE2 LYS A 16 -25.321 -13.891 -7.840 1.00 73.12 H new ATOM 0 HE3 LYS A 16 -25.240 -12.782 -6.486 1.00 73.12 H new ATOM 0 HZ1 LYS A 16 -27.514 -13.134 -7.195 1.00 30.23 H new ATOM 0 HZ2 LYS A 16 -27.072 -11.515 -7.448 1.00 30.23 H new ATOM 0 HZ3 LYS A 16 -27.151 -12.589 -8.761 1.00 30.23 H new ATOM 260 N GLY A 17 -21.499 -14.270 -8.833 1.00 53.14 N ATOM 261 CA GLY A 17 -21.267 -15.703 -8.820 1.00 1.24 C ATOM 262 C GLY A 17 -19.799 -16.054 -8.966 1.00 24.31 C ATOM 263 O GLY A 17 -19.455 -17.189 -9.293 1.00 30.33 O ATOM 0 H GLY A 17 -21.628 -13.848 -7.913 1.00 53.14 H new ATOM 0 HA2 GLY A 17 -21.646 -16.121 -7.888 1.00 1.24 H new ATOM 0 HA3 GLY A 17 -21.831 -16.167 -9.630 1.00 1.24 H new ATOM 267 N ILE A 18 -18.932 -15.077 -8.723 1.00 51.44 N ATOM 268 CA ILE A 18 -17.494 -15.289 -8.830 1.00 32.50 C ATOM 269 C ILE A 18 -16.806 -15.076 -7.485 1.00 3.32 C ATOM 270 O ILE A 18 -16.488 -13.948 -7.111 1.00 25.41 O ATOM 271 CB ILE A 18 -16.862 -14.347 -9.871 1.00 45.15 C ATOM 272 CG1 ILE A 18 -17.556 -14.509 -11.225 1.00 2.33 C ATOM 273 CG2 ILE A 18 -15.370 -14.623 -9.999 1.00 34.32 C ATOM 274 CD1 ILE A 18 -16.991 -13.615 -12.306 1.00 3.12 C ATOM 0 H ILE A 18 -19.200 -14.131 -8.451 1.00 51.44 H new ATOM 0 HA ILE A 18 -17.350 -16.321 -9.151 1.00 32.50 H new ATOM 0 HB ILE A 18 -16.994 -13.318 -9.536 1.00 45.15 H new ATOM 0 HG12 ILE A 18 -17.473 -15.548 -11.544 1.00 2.33 H new ATOM 0 HG13 ILE A 18 -18.618 -14.296 -11.107 1.00 2.33 H new ATOM 0 HG21 ILE A 18 -14.937 -13.949 -10.739 1.00 34.32 H new ATOM 0 HG22 ILE A 18 -14.886 -14.463 -9.035 1.00 34.32 H new ATOM 0 HG23 ILE A 18 -15.217 -15.655 -10.315 1.00 34.32 H new ATOM 0 HD11 ILE A 18 -17.531 -13.784 -13.237 1.00 3.12 H new ATOM 0 HD12 ILE A 18 -17.098 -12.572 -12.008 1.00 3.12 H new ATOM 0 HD13 ILE A 18 -15.935 -13.844 -12.452 1.00 3.12 H new ATOM 286 N SER A 19 -16.576 -16.169 -6.765 1.00 72.20 N ATOM 287 CA SER A 19 -15.928 -16.103 -5.460 1.00 5.03 C ATOM 288 C SER A 19 -14.424 -15.895 -5.612 1.00 10.11 C ATOM 289 O SER A 19 -13.738 -16.685 -6.262 1.00 55.41 O ATOM 290 CB SER A 19 -16.200 -17.381 -4.665 1.00 70.31 C ATOM 291 OG SER A 19 -17.588 -17.665 -4.616 1.00 12.11 O ATOM 0 H SER A 19 -16.829 -17.111 -7.063 1.00 72.20 H new ATOM 0 HA SER A 19 -16.343 -15.253 -4.918 1.00 5.03 H new ATOM 0 HB2 SER A 19 -15.670 -18.217 -5.122 1.00 70.31 H new ATOM 0 HB3 SER A 19 -15.812 -17.273 -3.652 1.00 70.31 H new ATOM 0 HG SER A 19 -17.736 -18.487 -4.104 1.00 12.11 H new ATOM 297 N LYS A 20 -13.917 -14.827 -5.007 1.00 21.45 N ATOM 298 CA LYS A 20 -12.494 -14.513 -5.071 1.00 74.43 C ATOM 299 C LYS A 20 -11.678 -15.521 -4.269 1.00 44.01 C ATOM 300 O LYS A 20 -10.457 -15.593 -4.405 1.00 62.25 O ATOM 301 CB LYS A 20 -12.237 -13.100 -4.545 1.00 25.14 C ATOM 302 CG LYS A 20 -12.185 -13.015 -3.031 1.00 31.04 C ATOM 303 CD LYS A 20 -12.759 -11.701 -2.525 1.00 45.33 C ATOM 304 CE LYS A 20 -11.989 -10.510 -3.072 1.00 73.32 C ATOM 305 NZ LYS A 20 -12.562 -9.216 -2.607 1.00 24.23 N1+ ATOM 0 H LYS A 20 -14.471 -14.163 -4.466 1.00 21.45 H new ATOM 0 HA LYS A 20 -12.183 -14.567 -6.114 1.00 74.43 H new ATOM 0 HB2 LYS A 20 -11.295 -12.735 -4.954 1.00 25.14 H new ATOM 0 HB3 LYS A 20 -13.021 -12.437 -4.911 1.00 25.14 H new ATOM 0 HG2 LYS A 20 -12.743 -13.846 -2.600 1.00 31.04 H new ATOM 0 HG3 LYS A 20 -11.153 -13.115 -2.695 1.00 31.04 H new ATOM 0 HD2 LYS A 20 -13.806 -11.624 -2.817 1.00 45.33 H new ATOM 0 HD3 LYS A 20 -12.730 -11.685 -1.436 1.00 45.33 H new ATOM 0 HE2 LYS A 20 -10.947 -10.578 -2.761 1.00 73.32 H new ATOM 0 HE3 LYS A 20 -11.999 -10.541 -4.162 1.00 73.32 H new ATOM 0 HZ1 LYS A 20 -11.873 -8.454 -2.767 1.00 24.23 H new ATOM 0 HZ2 LYS A 20 -13.433 -9.012 -3.137 1.00 24.23 H new ATOM 0 HZ3 LYS A 20 -12.781 -9.278 -1.592 1.00 24.23 H new ATOM 319 N GLU A 21 -12.360 -16.298 -3.434 1.00 64.52 N ATOM 320 CA GLU A 21 -11.697 -17.302 -2.611 1.00 11.33 C ATOM 321 C GLU A 21 -10.836 -18.226 -3.468 1.00 34.03 C ATOM 322 O GLU A 21 -9.754 -18.644 -3.055 1.00 42.53 O ATOM 323 CB GLU A 21 -12.731 -18.123 -1.837 1.00 34.13 C ATOM 324 CG GLU A 21 -13.448 -17.335 -0.754 1.00 74.01 C ATOM 325 CD GLU A 21 -13.912 -18.209 0.394 1.00 20.11 C ATOM 326 OE1 GLU A 21 -15.003 -18.807 0.279 1.00 12.41 O ATOM 327 OE2 GLU A 21 -13.187 -18.294 1.407 1.00 42.41 O1- ATOM 0 H GLU A 21 -13.371 -16.251 -3.310 1.00 64.52 H new ATOM 0 HA GLU A 21 -11.050 -16.785 -1.903 1.00 11.33 H new ATOM 0 HB2 GLU A 21 -13.468 -18.516 -2.537 1.00 34.13 H new ATOM 0 HB3 GLU A 21 -12.235 -18.980 -1.382 1.00 34.13 H new ATOM 0 HG2 GLU A 21 -12.782 -16.562 -0.371 1.00 74.01 H new ATOM 0 HG3 GLU A 21 -14.308 -16.827 -1.189 1.00 74.01 H new ATOM 334 N ILE A 22 -11.325 -18.542 -4.663 1.00 11.12 N ATOM 335 CA ILE A 22 -10.601 -19.415 -5.579 1.00 52.11 C ATOM 336 C ILE A 22 -9.473 -18.664 -6.278 1.00 5.14 C ATOM 337 O ILE A 22 -8.493 -19.265 -6.719 1.00 62.02 O ATOM 338 CB ILE A 22 -11.538 -20.017 -6.641 1.00 23.14 C ATOM 339 CG1 ILE A 22 -12.653 -20.824 -5.971 1.00 11.11 C ATOM 340 CG2 ILE A 22 -10.751 -20.892 -7.607 1.00 74.20 C ATOM 341 CD1 ILE A 22 -13.863 -19.993 -5.606 1.00 40.42 C ATOM 0 H ILE A 22 -12.220 -18.206 -5.019 1.00 11.12 H new ATOM 0 HA ILE A 22 -10.180 -20.222 -4.979 1.00 52.11 H new ATOM 0 HB ILE A 22 -11.993 -19.203 -7.206 1.00 23.14 H new ATOM 0 HG12 ILE A 22 -12.962 -21.627 -6.640 1.00 11.11 H new ATOM 0 HG13 ILE A 22 -12.259 -21.294 -5.070 1.00 11.11 H new ATOM 0 HG21 ILE A 22 -11.427 -21.311 -8.352 1.00 74.20 H new ATOM 0 HG22 ILE A 22 -9.990 -20.291 -8.105 1.00 74.20 H new ATOM 0 HG23 ILE A 22 -10.272 -21.702 -7.057 1.00 74.20 H new ATOM 0 HD11 ILE A 22 -14.613 -20.629 -5.136 1.00 40.42 H new ATOM 0 HD12 ILE A 22 -13.568 -19.206 -4.912 1.00 40.42 H new ATOM 0 HD13 ILE A 22 -14.281 -19.544 -6.507 1.00 40.42 H new ATOM 353 N ILE A 23 -9.618 -17.346 -6.375 1.00 13.43 N ATOM 354 CA ILE A 23 -8.610 -16.513 -7.018 1.00 72.34 C ATOM 355 C ILE A 23 -7.357 -16.402 -6.156 1.00 55.40 C ATOM 356 O ILE A 23 -6.236 -16.499 -6.659 1.00 31.34 O ATOM 357 CB ILE A 23 -9.148 -15.099 -7.305 1.00 24.53 C ATOM 358 CG1 ILE A 23 -10.446 -15.178 -8.113 1.00 1.43 C ATOM 359 CG2 ILE A 23 -8.106 -14.276 -8.047 1.00 41.41 C ATOM 360 CD1 ILE A 23 -10.259 -15.745 -9.502 1.00 34.01 C ATOM 0 H ILE A 23 -10.423 -16.833 -6.017 1.00 13.43 H new ATOM 0 HA ILE A 23 -8.357 -16.996 -7.962 1.00 72.34 H new ATOM 0 HB ILE A 23 -9.362 -14.608 -6.356 1.00 24.53 H new ATOM 0 HG12 ILE A 23 -11.165 -15.794 -7.572 1.00 1.43 H new ATOM 0 HG13 ILE A 23 -10.877 -14.180 -8.192 1.00 1.43 H new ATOM 0 HG21 ILE A 23 -8.501 -13.279 -8.243 1.00 41.41 H new ATOM 0 HG22 ILE A 23 -7.205 -14.196 -7.439 1.00 41.41 H new ATOM 0 HG23 ILE A 23 -7.864 -14.762 -8.992 1.00 41.41 H new ATOM 0 HD11 ILE A 23 -11.220 -15.771 -10.017 1.00 34.01 H new ATOM 0 HD12 ILE A 23 -9.565 -15.117 -10.061 1.00 34.01 H new ATOM 0 HD13 ILE A 23 -9.857 -16.756 -9.431 1.00 34.01 H new ATOM 372 N ILE A 24 -7.554 -16.201 -4.858 1.00 51.31 N ATOM 373 CA ILE A 24 -6.440 -16.081 -3.927 1.00 74.21 C ATOM 374 C ILE A 24 -5.485 -17.263 -4.055 1.00 44.54 C ATOM 375 O ILE A 24 -4.268 -17.104 -3.958 1.00 32.23 O ATOM 376 CB ILE A 24 -6.930 -15.988 -2.470 1.00 32.43 C ATOM 377 CG1 ILE A 24 -7.786 -14.734 -2.276 1.00 11.23 C ATOM 378 CG2 ILE A 24 -5.749 -15.983 -1.512 1.00 1.24 C ATOM 379 CD1 ILE A 24 -9.149 -15.017 -1.686 1.00 31.23 C ATOM 0 H ILE A 24 -8.475 -16.118 -4.427 1.00 51.31 H new ATOM 0 HA ILE A 24 -5.913 -15.162 -4.184 1.00 74.21 H new ATOM 0 HB ILE A 24 -7.544 -16.862 -2.253 1.00 32.43 H new ATOM 0 HG12 ILE A 24 -7.255 -14.039 -1.626 1.00 11.23 H new ATOM 0 HG13 ILE A 24 -7.912 -14.238 -3.238 1.00 11.23 H new ATOM 0 HG21 ILE A 24 -6.113 -15.917 -0.487 1.00 1.24 H new ATOM 0 HG22 ILE A 24 -5.177 -16.902 -1.635 1.00 1.24 H new ATOM 0 HG23 ILE A 24 -5.110 -15.126 -1.726 1.00 1.24 H new ATOM 0 HD11 ILE A 24 -9.699 -14.083 -1.577 1.00 31.23 H new ATOM 0 HD12 ILE A 24 -9.699 -15.687 -2.346 1.00 31.23 H new ATOM 0 HD13 ILE A 24 -9.032 -15.485 -0.709 1.00 31.23 H new ATOM 391 N GLU A 25 -6.045 -18.448 -4.275 1.00 72.53 N ATOM 392 CA GLU A 25 -5.243 -19.657 -4.418 1.00 43.13 C ATOM 393 C GLU A 25 -4.407 -19.607 -5.694 1.00 2.50 C ATOM 394 O GLU A 25 -3.330 -20.198 -5.765 1.00 34.42 O ATOM 395 CB GLU A 25 -6.144 -20.894 -4.433 1.00 73.04 C ATOM 396 CG GLU A 25 -7.046 -21.005 -3.216 1.00 44.41 C ATOM 397 CD GLU A 25 -6.431 -21.839 -2.108 1.00 73.01 C ATOM 398 OE1 GLU A 25 -5.253 -22.228 -2.245 1.00 32.20 O ATOM 399 OE2 GLU A 25 -7.129 -22.101 -1.106 1.00 21.12 O1- ATOM 0 H GLU A 25 -7.051 -18.597 -4.358 1.00 72.53 H new ATOM 0 HA GLU A 25 -4.568 -19.718 -3.564 1.00 43.13 H new ATOM 0 HB2 GLU A 25 -6.761 -20.873 -5.331 1.00 73.04 H new ATOM 0 HB3 GLU A 25 -5.521 -21.786 -4.495 1.00 73.04 H new ATOM 0 HG2 GLU A 25 -7.262 -20.006 -2.837 1.00 44.41 H new ATOM 0 HG3 GLU A 25 -7.997 -21.446 -3.513 1.00 44.41 H new ATOM 406 N ALA A 26 -4.912 -18.898 -6.698 1.00 1.41 N ATOM 407 CA ALA A 26 -4.212 -18.770 -7.971 1.00 44.13 C ATOM 408 C ALA A 26 -3.005 -17.847 -7.842 1.00 13.13 C ATOM 409 O ALA A 26 -1.985 -18.049 -8.502 1.00 24.00 O ATOM 410 CB ALA A 26 -5.159 -18.258 -9.045 1.00 14.40 C ATOM 0 H ALA A 26 -5.803 -18.403 -6.655 1.00 1.41 H new ATOM 0 HA ALA A 26 -3.852 -19.757 -8.261 1.00 44.13 H new ATOM 0 HB1 ALA A 26 -4.623 -18.167 -9.990 1.00 14.40 H new ATOM 0 HB2 ALA A 26 -5.987 -18.957 -9.163 1.00 14.40 H new ATOM 0 HB3 ALA A 26 -5.547 -17.282 -8.753 1.00 14.40 H new ATOM 416 N ILE A 27 -3.128 -16.834 -6.990 1.00 44.10 N ATOM 417 CA ILE A 27 -2.047 -15.881 -6.776 1.00 13.45 C ATOM 418 C ILE A 27 -0.849 -16.548 -6.110 1.00 13.44 C ATOM 419 O ILE A 27 0.269 -16.490 -6.620 1.00 54.42 O ATOM 420 CB ILE A 27 -2.508 -14.693 -5.910 1.00 20.00 C ATOM 421 CG1 ILE A 27 -3.335 -13.715 -6.745 1.00 25.54 C ATOM 422 CG2 ILE A 27 -1.307 -13.990 -5.295 1.00 13.51 C ATOM 423 CD1 ILE A 27 -4.825 -13.967 -6.671 1.00 74.33 C ATOM 0 H ILE A 27 -3.966 -16.653 -6.437 1.00 44.10 H new ATOM 0 HA ILE A 27 -1.753 -15.511 -7.758 1.00 13.45 H new ATOM 0 HB ILE A 27 -3.136 -15.072 -5.103 1.00 20.00 H new ATOM 0 HG12 ILE A 27 -3.129 -12.699 -6.409 1.00 25.54 H new ATOM 0 HG13 ILE A 27 -3.015 -13.777 -7.785 1.00 25.54 H new ATOM 0 HG21 ILE A 27 -1.648 -13.153 -4.686 1.00 13.51 H new ATOM 0 HG22 ILE A 27 -0.755 -14.692 -4.670 1.00 13.51 H new ATOM 0 HG23 ILE A 27 -0.656 -13.621 -6.088 1.00 13.51 H new ATOM 0 HD11 ILE A 27 -5.349 -13.236 -7.287 1.00 74.33 H new ATOM 0 HD12 ILE A 27 -5.043 -14.971 -7.035 1.00 74.33 H new ATOM 0 HD13 ILE A 27 -5.159 -13.876 -5.637 1.00 74.33 H new ATOM 435 N GLU A 28 -1.093 -17.184 -4.967 1.00 54.21 N ATOM 436 CA GLU A 28 -0.033 -17.863 -4.232 1.00 54.51 C ATOM 437 C GLU A 28 0.559 -19.001 -5.059 1.00 43.41 C ATOM 438 O GLU A 28 1.773 -19.202 -5.077 1.00 43.02 O ATOM 439 CB GLU A 28 -0.570 -18.406 -2.906 1.00 64.12 C ATOM 440 CG GLU A 28 -1.928 -19.077 -3.028 1.00 40.22 C ATOM 441 CD GLU A 28 -1.941 -20.478 -2.448 1.00 51.43 C ATOM 442 OE1 GLU A 28 -1.523 -21.417 -3.157 1.00 63.03 O ATOM 443 OE2 GLU A 28 -2.370 -20.635 -1.286 1.00 75.44 O1- ATOM 0 H GLU A 28 -2.014 -17.243 -4.532 1.00 54.21 H new ATOM 0 HA GLU A 28 0.755 -17.138 -4.027 1.00 54.51 H new ATOM 0 HB2 GLU A 28 0.145 -19.122 -2.500 1.00 64.12 H new ATOM 0 HB3 GLU A 28 -0.642 -17.587 -2.190 1.00 64.12 H new ATOM 0 HG2 GLU A 28 -2.676 -18.470 -2.518 1.00 40.22 H new ATOM 0 HG3 GLU A 28 -2.215 -19.120 -4.079 1.00 40.22 H new ATOM 450 N ALA A 29 -0.308 -19.743 -5.740 1.00 30.04 N ATOM 451 CA ALA A 29 0.129 -20.860 -6.569 1.00 12.54 C ATOM 452 C ALA A 29 1.061 -20.387 -7.679 1.00 13.03 C ATOM 453 O ALA A 29 1.921 -21.137 -8.140 1.00 61.31 O ATOM 454 CB ALA A 29 -1.074 -21.580 -7.159 1.00 31.13 C ATOM 0 H ALA A 29 -1.317 -19.591 -5.734 1.00 30.04 H new ATOM 0 HA ALA A 29 0.682 -21.556 -5.938 1.00 12.54 H new ATOM 0 HB1 ALA A 29 -0.734 -22.412 -7.776 1.00 31.13 H new ATOM 0 HB2 ALA A 29 -1.702 -21.959 -6.353 1.00 31.13 H new ATOM 0 HB3 ALA A 29 -1.649 -20.886 -7.772 1.00 31.13 H new ATOM 460 N ALA A 30 0.883 -19.141 -8.105 1.00 53.23 N ATOM 461 CA ALA A 30 1.710 -18.569 -9.161 1.00 23.45 C ATOM 462 C ALA A 30 3.100 -18.220 -8.640 1.00 61.02 C ATOM 463 O ALA A 30 4.108 -18.515 -9.284 1.00 51.44 O ATOM 464 CB ALA A 30 1.039 -17.337 -9.748 1.00 32.41 C ATOM 0 H ALA A 30 0.174 -18.508 -7.735 1.00 53.23 H new ATOM 0 HA ALA A 30 1.822 -19.316 -9.947 1.00 23.45 H new ATOM 0 HB1 ALA A 30 1.668 -16.921 -10.535 1.00 32.41 H new ATOM 0 HB2 ALA A 30 0.071 -17.614 -10.165 1.00 32.41 H new ATOM 0 HB3 ALA A 30 0.897 -16.592 -8.965 1.00 32.41 H new ATOM 470 N LEU A 31 3.148 -17.588 -7.473 1.00 5.35 N ATOM 471 CA LEU A 31 4.415 -17.197 -6.866 1.00 1.23 C ATOM 472 C LEU A 31 5.314 -18.411 -6.651 1.00 21.11 C ATOM 473 O LEU A 31 6.477 -18.413 -7.055 1.00 34.51 O ATOM 474 CB LEU A 31 4.168 -16.488 -5.533 1.00 45.33 C ATOM 475 CG LEU A 31 3.926 -14.980 -5.609 1.00 33.31 C ATOM 476 CD1 LEU A 31 5.098 -14.285 -6.285 1.00 53.12 C ATOM 477 CD2 LEU A 31 2.629 -14.684 -6.349 1.00 43.31 C ATOM 0 H LEU A 31 2.324 -17.335 -6.928 1.00 5.35 H new ATOM 0 HA LEU A 31 4.919 -16.511 -7.547 1.00 1.23 H new ATOM 0 HB2 LEU A 31 3.306 -16.950 -5.053 1.00 45.33 H new ATOM 0 HB3 LEU A 31 5.027 -16.666 -4.885 1.00 45.33 H new ATOM 0 HG LEU A 31 3.837 -14.594 -4.593 1.00 33.31 H new ATOM 0 HD11 LEU A 31 4.908 -13.213 -6.330 1.00 53.12 H new ATOM 0 HD12 LEU A 31 6.008 -14.469 -5.714 1.00 53.12 H new ATOM 0 HD13 LEU A 31 5.219 -14.675 -7.296 1.00 53.12 H new ATOM 0 HD21 LEU A 31 2.473 -13.606 -6.393 1.00 43.31 H new ATOM 0 HD22 LEU A 31 2.688 -15.084 -7.361 1.00 43.31 H new ATOM 0 HD23 LEU A 31 1.796 -15.150 -5.823 1.00 43.31 H new ATOM 489 N ILE A 32 4.766 -19.439 -6.014 1.00 24.45 N ATOM 490 CA ILE A 32 5.517 -20.661 -5.748 1.00 71.03 C ATOM 491 C ILE A 32 6.041 -21.275 -7.041 1.00 24.23 C ATOM 492 O ILE A 32 7.170 -21.763 -7.095 1.00 63.05 O ATOM 493 CB ILE A 32 4.655 -21.702 -5.010 1.00 60.21 C ATOM 494 CG1 ILE A 32 5.439 -23.003 -4.822 1.00 22.33 C ATOM 495 CG2 ILE A 32 3.366 -21.960 -5.775 1.00 41.15 C ATOM 496 CD1 ILE A 32 4.926 -23.859 -3.685 1.00 4.22 C ATOM 0 H ILE A 32 3.805 -19.451 -5.672 1.00 24.45 H new ATOM 0 HA ILE A 32 6.358 -20.383 -5.113 1.00 71.03 H new ATOM 0 HB ILE A 32 4.398 -21.309 -4.026 1.00 60.21 H new ATOM 0 HG12 ILE A 32 5.398 -23.579 -5.747 1.00 22.33 H new ATOM 0 HG13 ILE A 32 6.487 -22.763 -4.641 1.00 22.33 H new ATOM 0 HG21 ILE A 32 2.767 -22.698 -5.241 1.00 41.15 H new ATOM 0 HG22 ILE A 32 2.803 -21.031 -5.863 1.00 41.15 H new ATOM 0 HG23 ILE A 32 3.603 -22.336 -6.770 1.00 41.15 H new ATOM 0 HD11 ILE A 32 5.529 -24.764 -3.610 1.00 4.22 H new ATOM 0 HD12 ILE A 32 4.992 -23.301 -2.751 1.00 4.22 H new ATOM 0 HD13 ILE A 32 3.887 -24.129 -3.873 1.00 4.22 H new ATOM 508 N SER A 33 5.215 -21.246 -8.082 1.00 23.51 N ATOM 509 CA SER A 33 5.595 -21.802 -9.375 1.00 62.33 C ATOM 510 C SER A 33 6.694 -20.967 -10.025 1.00 1.44 C ATOM 511 O SER A 33 7.686 -21.502 -10.518 1.00 2.10 O ATOM 512 CB SER A 33 4.379 -21.873 -10.301 1.00 3.21 C ATOM 513 OG SER A 33 4.771 -21.846 -11.662 1.00 24.42 O ATOM 0 H SER A 33 4.278 -20.843 -8.055 1.00 23.51 H new ATOM 0 HA SER A 33 5.977 -22.809 -9.210 1.00 62.33 H new ATOM 0 HB2 SER A 33 3.817 -22.785 -10.099 1.00 3.21 H new ATOM 0 HB3 SER A 33 3.712 -21.036 -10.095 1.00 3.21 H new ATOM 0 HG SER A 33 3.976 -21.894 -12.233 1.00 24.42 H new ATOM 519 N ALA A 34 6.509 -19.651 -10.020 1.00 22.53 N ATOM 520 CA ALA A 34 7.485 -18.740 -10.605 1.00 1.34 C ATOM 521 C ALA A 34 8.866 -18.946 -9.992 1.00 52.14 C ATOM 522 O ALA A 34 9.859 -19.079 -10.707 1.00 62.24 O ATOM 523 CB ALA A 34 7.035 -17.297 -10.424 1.00 23.24 C ATOM 0 H ALA A 34 5.692 -19.192 -9.617 1.00 22.53 H new ATOM 0 HA ALA A 34 7.554 -18.957 -11.671 1.00 1.34 H new ATOM 0 HB1 ALA A 34 7.773 -16.628 -10.866 1.00 23.24 H new ATOM 0 HB2 ALA A 34 6.073 -17.151 -10.916 1.00 23.24 H new ATOM 0 HB3 ALA A 34 6.936 -17.077 -9.361 1.00 23.24 H new ATOM 529 N TYR A 35 8.921 -18.971 -8.665 1.00 60.44 N ATOM 530 CA TYR A 35 10.181 -19.158 -7.956 1.00 42.44 C ATOM 531 C TYR A 35 10.693 -20.585 -8.122 1.00 40.45 C ATOM 532 O TYR A 35 11.898 -20.836 -8.073 1.00 13.24 O ATOM 533 CB TYR A 35 10.007 -18.837 -6.471 1.00 14.41 C ATOM 534 CG TYR A 35 11.185 -19.255 -5.619 1.00 55.14 C ATOM 535 CD1 TYR A 35 11.255 -20.533 -5.077 1.00 72.52 C ATOM 536 CD2 TYR A 35 12.224 -18.373 -5.355 1.00 31.21 C ATOM 537 CE1 TYR A 35 12.328 -20.919 -4.297 1.00 4.45 C ATOM 538 CE2 TYR A 35 13.302 -18.751 -4.577 1.00 13.02 C ATOM 539 CZ TYR A 35 13.350 -20.025 -4.051 1.00 1.20 C ATOM 540 OH TYR A 35 14.420 -20.406 -3.276 1.00 72.42 O ATOM 0 H TYR A 35 8.108 -18.864 -8.059 1.00 60.44 H new ATOM 0 HA TYR A 35 10.915 -18.476 -8.385 1.00 42.44 H new ATOM 0 HB2 TYR A 35 9.848 -17.765 -6.356 1.00 14.41 H new ATOM 0 HB3 TYR A 35 9.109 -19.333 -6.103 1.00 14.41 H new ATOM 0 HD1 TYR A 35 10.458 -21.236 -5.269 1.00 72.52 H new ATOM 0 HD2 TYR A 35 12.189 -17.374 -5.765 1.00 31.21 H new ATOM 0 HE1 TYR A 35 12.367 -21.915 -3.882 1.00 4.45 H new ATOM 0 HE2 TYR A 35 14.102 -18.053 -4.382 1.00 13.02 H new ATOM 0 HH TYR A 35 15.036 -19.651 -3.175 1.00 72.42 H new ATOM 550 N LYS A 36 9.769 -21.519 -8.321 1.00 5.13 N ATOM 551 CA LYS A 36 10.124 -22.922 -8.497 1.00 11.15 C ATOM 552 C LYS A 36 10.810 -23.146 -9.841 1.00 32.14 C ATOM 553 O LYS A 36 11.696 -23.991 -9.964 1.00 62.43 O ATOM 554 CB LYS A 36 8.876 -23.802 -8.397 1.00 64.34 C ATOM 555 CG LYS A 36 8.645 -24.375 -7.009 1.00 20.30 C ATOM 556 CD LYS A 36 7.536 -25.413 -7.012 1.00 1.42 C ATOM 557 CE LYS A 36 7.279 -25.957 -5.615 1.00 45.53 C ATOM 558 NZ LYS A 36 6.833 -27.379 -5.647 1.00 21.13 N1+ ATOM 0 H LYS A 36 8.768 -21.329 -8.364 1.00 5.13 H new ATOM 0 HA LYS A 36 10.819 -23.196 -7.704 1.00 11.15 H new ATOM 0 HB2 LYS A 36 8.004 -23.216 -8.689 1.00 64.34 H new ATOM 0 HB3 LYS A 36 8.962 -24.622 -9.110 1.00 64.34 H new ATOM 0 HG2 LYS A 36 9.567 -24.827 -6.643 1.00 20.30 H new ATOM 0 HG3 LYS A 36 8.389 -23.570 -6.320 1.00 20.30 H new ATOM 0 HD2 LYS A 36 6.621 -24.969 -7.405 1.00 1.42 H new ATOM 0 HD3 LYS A 36 7.805 -26.232 -7.679 1.00 1.42 H new ATOM 0 HE2 LYS A 36 8.189 -25.875 -5.020 1.00 45.53 H new ATOM 0 HE3 LYS A 36 6.520 -25.349 -5.122 1.00 45.53 H new ATOM 0 HZ1 LYS A 36 6.668 -27.713 -4.676 1.00 21.13 H new ATOM 0 HZ2 LYS A 36 5.951 -27.454 -6.193 1.00 21.13 H new ATOM 0 HZ3 LYS A 36 7.568 -27.963 -6.094 1.00 21.13 H new ATOM 572 N ARG A 37 10.396 -22.381 -10.846 1.00 74.25 N ATOM 573 CA ARG A 37 10.970 -22.496 -12.180 1.00 53.51 C ATOM 574 C ARG A 37 12.482 -22.297 -12.141 1.00 13.30 C ATOM 575 O ARG A 37 13.202 -22.754 -13.027 1.00 74.35 O ATOM 576 CB ARG A 37 10.336 -21.471 -13.122 1.00 25.33 C ATOM 577 CG ARG A 37 8.916 -21.822 -13.538 1.00 1.44 C ATOM 578 CD ARG A 37 8.567 -21.221 -14.891 1.00 4.13 C ATOM 579 NE ARG A 37 8.074 -19.851 -14.769 1.00 22.22 N ATOM 580 CZ ARG A 37 7.869 -19.049 -15.808 1.00 71.43 C ATOM 581 NH1 ARG A 37 8.114 -19.477 -17.039 1.00 64.15 N1+ ATOM 582 NH2 ARG A 37 7.419 -17.815 -15.616 1.00 43.33 N ATOM 0 H ARG A 37 9.665 -21.675 -10.761 1.00 74.25 H new ATOM 0 HA ARG A 37 10.762 -23.499 -12.551 1.00 53.51 H new ATOM 0 HB2 ARG A 37 10.332 -20.496 -12.635 1.00 25.33 H new ATOM 0 HB3 ARG A 37 10.955 -21.379 -14.015 1.00 25.33 H new ATOM 0 HG2 ARG A 37 8.806 -22.906 -13.581 1.00 1.44 H new ATOM 0 HG3 ARG A 37 8.215 -21.459 -12.786 1.00 1.44 H new ATOM 0 HD2 ARG A 37 9.449 -21.234 -15.532 1.00 4.13 H new ATOM 0 HD3 ARG A 37 7.811 -21.837 -15.377 1.00 4.13 H new ATOM 0 HE ARG A 37 7.877 -19.491 -13.835 1.00 22.22 H new ATOM 0 HH11 ARG A 37 8.461 -20.424 -17.190 1.00 64.15 H new ATOM 0 HH12 ARG A 37 7.956 -18.859 -17.835 1.00 64.15 H new ATOM 0 HH21 ARG A 37 7.231 -17.482 -14.670 1.00 43.33 H new ATOM 0 HH22 ARG A 37 7.262 -17.200 -16.414 1.00 43.33 H new ATOM 596 N ASN A 38 12.956 -21.611 -11.105 1.00 64.14 N ATOM 597 CA ASN A 38 14.383 -21.351 -10.950 1.00 2.44 C ATOM 598 C ASN A 38 15.082 -22.532 -10.283 1.00 62.25 C ATOM 599 O ASN A 38 16.254 -22.802 -10.545 1.00 62.41 O ATOM 600 CB ASN A 38 14.604 -20.081 -10.125 1.00 14.03 C ATOM 601 CG ASN A 38 14.444 -18.820 -10.952 1.00 30.51 C ATOM 602 OD1 ASN A 38 15.419 -18.127 -11.242 1.00 23.41 O ATOM 603 ND2 ASN A 38 13.209 -18.516 -11.335 1.00 43.51 N ATOM 0 H ASN A 38 12.373 -21.226 -10.362 1.00 64.14 H new ATOM 0 HA ASN A 38 14.812 -21.211 -11.942 1.00 2.44 H new ATOM 0 HB2 ASN A 38 13.896 -20.061 -9.297 1.00 14.03 H new ATOM 0 HB3 ASN A 38 15.603 -20.103 -9.690 1.00 14.03 H new ATOM 0 HD21 ASN A 38 13.039 -17.679 -11.893 1.00 43.51 H new ATOM 0 HD22 ASN A 38 12.430 -19.120 -11.072 1.00 43.51 H new ATOM 610 N PHE A 39 14.354 -23.232 -9.419 1.00 74.50 N ATOM 611 CA PHE A 39 14.904 -24.385 -8.714 1.00 13.22 C ATOM 612 C PHE A 39 13.817 -25.416 -8.427 1.00 13.23 C ATOM 613 O PHE A 39 13.396 -25.589 -7.284 1.00 12.23 O ATOM 614 CB PHE A 39 15.561 -23.943 -7.406 1.00 22.33 C ATOM 615 CG PHE A 39 16.885 -23.259 -7.600 1.00 63.55 C ATOM 616 CD1 PHE A 39 17.892 -23.869 -8.332 1.00 54.30 C ATOM 617 CD2 PHE A 39 17.122 -22.009 -7.053 1.00 1.45 C ATOM 618 CE1 PHE A 39 19.111 -23.243 -8.511 1.00 20.44 C ATOM 619 CE2 PHE A 39 18.339 -21.379 -7.230 1.00 73.20 C ATOM 620 CZ PHE A 39 19.334 -21.996 -7.961 1.00 41.30 C ATOM 0 H PHE A 39 13.383 -23.021 -9.190 1.00 74.50 H new ATOM 0 HA PHE A 39 15.657 -24.845 -9.354 1.00 13.22 H new ATOM 0 HB2 PHE A 39 14.886 -23.268 -6.880 1.00 22.33 H new ATOM 0 HB3 PHE A 39 15.702 -24.815 -6.767 1.00 22.33 H new ATOM 0 HD1 PHE A 39 17.722 -24.843 -8.767 1.00 54.30 H new ATOM 0 HD2 PHE A 39 16.347 -21.521 -6.481 1.00 1.45 H new ATOM 0 HE1 PHE A 39 19.889 -23.729 -9.081 1.00 20.44 H new ATOM 0 HE2 PHE A 39 18.511 -20.405 -6.797 1.00 73.20 H new ATOM 0 HZ PHE A 39 20.285 -21.505 -8.103 1.00 41.30 H new ATOM 630 N ASN A 40 13.365 -26.099 -9.475 1.00 5.11 N ATOM 631 CA ASN A 40 12.326 -27.113 -9.337 1.00 31.44 C ATOM 632 C ASN A 40 12.895 -28.398 -8.745 1.00 13.21 C ATOM 633 O ASN A 40 12.445 -28.863 -7.698 1.00 10.21 O ATOM 634 CB ASN A 40 11.684 -27.404 -10.695 1.00 21.11 C ATOM 635 CG ASN A 40 10.270 -27.934 -10.564 1.00 35.33 C ATOM 636 OD1 ASN A 40 9.881 -28.445 -9.515 1.00 34.12 O ATOM 637 ND2 ASN A 40 9.492 -27.816 -11.635 1.00 33.42 N ATOM 0 H ASN A 40 13.702 -25.968 -10.429 1.00 5.11 H new ATOM 0 HA ASN A 40 11.565 -26.727 -8.658 1.00 31.44 H new ATOM 0 HB2 ASN A 40 11.673 -26.492 -11.292 1.00 21.11 H new ATOM 0 HB3 ASN A 40 12.293 -28.130 -11.234 1.00 21.11 H new ATOM 0 HD21 ASN A 40 8.531 -28.156 -11.607 1.00 33.42 H new ATOM 0 HD22 ASN A 40 9.856 -27.385 -12.485 1.00 33.42 H new ATOM 644 N GLN A 41 13.888 -28.965 -9.422 1.00 42.41 N ATOM 645 CA GLN A 41 14.519 -30.197 -8.963 1.00 32.21 C ATOM 646 C GLN A 41 15.690 -29.896 -8.033 1.00 10.23 C ATOM 647 O GLN A 41 16.465 -30.786 -7.686 1.00 2.54 O ATOM 648 CB GLN A 41 15.000 -31.024 -10.156 1.00 24.30 C ATOM 649 CG GLN A 41 16.147 -30.381 -10.920 1.00 23.03 C ATOM 650 CD GLN A 41 16.536 -31.164 -12.158 1.00 60.23 C ATOM 651 OE1 GLN A 41 15.750 -31.295 -13.097 1.00 25.31 O ATOM 652 NE2 GLN A 41 17.756 -31.689 -12.167 1.00 53.52 N ATOM 0 H GLN A 41 14.273 -28.591 -10.290 1.00 42.41 H new ATOM 0 HA GLN A 41 13.776 -30.770 -8.408 1.00 32.21 H new ATOM 0 HB2 GLN A 41 15.315 -32.006 -9.803 1.00 24.30 H new ATOM 0 HB3 GLN A 41 14.164 -31.183 -10.838 1.00 24.30 H new ATOM 0 HG2 GLN A 41 15.864 -29.369 -11.209 1.00 23.03 H new ATOM 0 HG3 GLN A 41 17.012 -30.294 -10.263 1.00 23.03 H new ATOM 0 HE21 GLN A 41 18.375 -31.556 -11.367 1.00 53.52 H new ATOM 0 HE22 GLN A 41 18.074 -32.226 -12.974 1.00 53.52 H new ATOM 661 N ALA A 42 15.811 -28.634 -7.633 1.00 53.10 N ATOM 662 CA ALA A 42 16.885 -28.215 -6.742 1.00 45.11 C ATOM 663 C ALA A 42 16.447 -28.286 -5.283 1.00 30.22 C ATOM 664 O ALA A 42 17.234 -28.644 -4.406 1.00 53.42 O ATOM 665 CB ALA A 42 17.342 -26.807 -7.091 1.00 52.01 C ATOM 0 H ALA A 42 15.178 -27.884 -7.912 1.00 53.10 H new ATOM 0 HA ALA A 42 17.723 -28.900 -6.876 1.00 45.11 H new ATOM 0 HB1 ALA A 42 18.145 -26.507 -6.417 1.00 52.01 H new ATOM 0 HB2 ALA A 42 17.704 -26.786 -8.119 1.00 52.01 H new ATOM 0 HB3 ALA A 42 16.505 -26.117 -6.988 1.00 52.01 H new ATOM 671 N GLN A 43 15.190 -27.938 -5.030 1.00 44.33 N ATOM 672 CA GLN A 43 14.649 -27.961 -3.676 1.00 63.21 C ATOM 673 C GLN A 43 13.181 -27.545 -3.670 1.00 62.24 C ATOM 674 O GLN A 43 12.771 -26.671 -4.432 1.00 74.55 O ATOM 675 CB GLN A 43 15.458 -27.036 -2.766 1.00 72.12 C ATOM 676 CG GLN A 43 14.819 -26.811 -1.405 1.00 43.55 C ATOM 677 CD GLN A 43 15.808 -26.304 -0.373 1.00 74.41 C ATOM 678 OE1 GLN A 43 15.305 -25.943 0.802 1.00 53.02 O flip ATOM 679 NE2 GLN A 43 17.010 -26.237 -0.630 1.00 50.05 N flip ATOM 0 H GLN A 43 14.527 -27.637 -5.744 1.00 44.33 H new ATOM 0 HA GLN A 43 14.720 -28.982 -3.300 1.00 63.21 H new ATOM 0 HB2 GLN A 43 16.453 -27.458 -2.626 1.00 72.12 H new ATOM 0 HB3 GLN A 43 15.586 -26.074 -3.262 1.00 72.12 H new ATOM 0 HG2 GLN A 43 14.004 -26.094 -1.504 1.00 43.55 H new ATOM 0 HG3 GLN A 43 14.381 -27.745 -1.055 1.00 43.55 H new ATOM 0 HE21 GLN A 43 17.352 -26.525 -1.547 1.00 50.05 H new ATOM 0 HE22 GLN A 43 17.664 -25.893 0.074 1.00 50.05 H new ATOM 688 N ASN A 44 12.396 -28.177 -2.804 1.00 61.24 N ATOM 689 CA ASN A 44 10.973 -27.872 -2.698 1.00 5.03 C ATOM 690 C ASN A 44 10.757 -26.482 -2.109 1.00 45.14 C ATOM 691 O ASN A 44 11.713 -25.773 -1.796 1.00 15.42 O ATOM 692 CB ASN A 44 10.269 -28.921 -1.835 1.00 2.54 C ATOM 693 CG ASN A 44 10.344 -28.595 -0.356 1.00 33.50 C ATOM 694 OD1 ASN A 44 9.340 -28.654 0.356 1.00 53.44 O ATOM 695 ND2 ASN A 44 11.537 -28.251 0.115 1.00 2.43 N ATOM 0 H ASN A 44 12.720 -28.903 -2.165 1.00 61.24 H new ATOM 0 HA ASN A 44 10.546 -27.891 -3.701 1.00 5.03 H new ATOM 0 HB2 ASN A 44 9.224 -28.994 -2.136 1.00 2.54 H new ATOM 0 HB3 ASN A 44 10.721 -29.897 -2.013 1.00 2.54 H new ATOM 0 HD21 ASN A 44 11.649 -28.023 1.103 1.00 2.43 H new ATOM 0 HD22 ASN A 44 12.342 -28.215 -0.511 1.00 2.43 H new ATOM 702 N VAL A 45 9.492 -26.099 -1.958 1.00 44.30 N ATOM 703 CA VAL A 45 9.150 -24.795 -1.404 1.00 71.11 C ATOM 704 C VAL A 45 7.644 -24.662 -1.203 1.00 24.13 C ATOM 705 O VAL A 45 6.857 -25.333 -1.870 1.00 24.45 O ATOM 706 CB VAL A 45 9.638 -23.653 -2.314 1.00 60.41 C ATOM 707 CG1 VAL A 45 8.816 -23.599 -3.592 1.00 23.33 C ATOM 708 CG2 VAL A 45 9.581 -22.323 -1.577 1.00 21.34 C ATOM 0 H VAL A 45 8.688 -26.674 -2.212 1.00 44.30 H new ATOM 0 HA VAL A 45 9.651 -24.719 -0.439 1.00 71.11 H new ATOM 0 HB VAL A 45 10.675 -23.848 -2.586 1.00 60.41 H new ATOM 0 HG11 VAL A 45 9.176 -22.786 -4.222 1.00 23.33 H new ATOM 0 HG12 VAL A 45 8.914 -24.543 -4.128 1.00 23.33 H new ATOM 0 HG13 VAL A 45 7.768 -23.429 -3.344 1.00 23.33 H new ATOM 0 HG21 VAL A 45 9.929 -21.527 -2.235 1.00 21.34 H new ATOM 0 HG22 VAL A 45 8.554 -22.119 -1.273 1.00 21.34 H new ATOM 0 HG23 VAL A 45 10.218 -22.369 -0.694 1.00 21.34 H new ATOM 718 N ARG A 46 7.251 -23.791 -0.280 1.00 33.25 N ATOM 719 CA ARG A 46 5.840 -23.569 0.011 1.00 13.25 C ATOM 720 C ARG A 46 5.560 -22.089 0.251 1.00 35.22 C ATOM 721 O ARG A 46 5.989 -21.521 1.256 1.00 45.34 O ATOM 722 CB ARG A 46 5.414 -24.386 1.232 1.00 60.23 C ATOM 723 CG ARG A 46 5.849 -25.841 1.174 1.00 34.50 C ATOM 724 CD ARG A 46 5.626 -26.543 2.505 1.00 54.54 C ATOM 725 NE ARG A 46 4.739 -27.695 2.375 1.00 74.02 N ATOM 726 CZ ARG A 46 3.414 -27.601 2.328 1.00 73.42 C ATOM 727 NH1 ARG A 46 2.828 -26.415 2.402 1.00 53.11 N1+ ATOM 728 NH2 ARG A 46 2.674 -28.696 2.209 1.00 42.44 N ATOM 0 H ARG A 46 7.891 -23.227 0.280 1.00 33.25 H new ATOM 0 HA ARG A 46 5.261 -23.894 -0.854 1.00 13.25 H new ATOM 0 HB2 ARG A 46 5.830 -23.927 2.129 1.00 60.23 H new ATOM 0 HB3 ARG A 46 4.329 -24.344 1.326 1.00 60.23 H new ATOM 0 HG2 ARG A 46 5.293 -26.357 0.392 1.00 34.50 H new ATOM 0 HG3 ARG A 46 6.904 -25.896 0.905 1.00 34.50 H new ATOM 0 HD2 ARG A 46 6.585 -26.868 2.908 1.00 54.54 H new ATOM 0 HD3 ARG A 46 5.202 -25.838 3.220 1.00 54.54 H new ATOM 0 HE ARG A 46 5.159 -28.623 2.317 1.00 74.02 H new ATOM 0 HH11 ARG A 46 3.394 -25.571 2.495 1.00 53.11 H new ATOM 0 HH12 ARG A 46 1.811 -26.345 2.366 1.00 53.11 H new ATOM 0 HH21 ARG A 46 3.122 -29.611 2.154 1.00 42.44 H new ATOM 0 HH22 ARG A 46 1.657 -28.623 2.173 1.00 42.44 H new ATOM 742 N VAL A 47 4.837 -21.470 -0.677 1.00 13.15 N ATOM 743 CA VAL A 47 4.499 -20.057 -0.566 1.00 40.55 C ATOM 744 C VAL A 47 3.175 -19.864 0.164 1.00 21.11 C ATOM 745 O VAL A 47 2.189 -20.541 -0.128 1.00 40.40 O ATOM 746 CB VAL A 47 4.410 -19.390 -1.952 1.00 43.43 C ATOM 747 CG1 VAL A 47 4.012 -17.928 -1.817 1.00 73.12 C ATOM 748 CG2 VAL A 47 5.732 -19.525 -2.693 1.00 3.11 C ATOM 0 H VAL A 47 4.474 -21.926 -1.514 1.00 13.15 H new ATOM 0 HA VAL A 47 5.298 -19.585 0.006 1.00 40.55 H new ATOM 0 HB VAL A 47 3.640 -19.899 -2.532 1.00 43.43 H new ATOM 0 HG11 VAL A 47 3.954 -17.474 -2.806 1.00 73.12 H new ATOM 0 HG12 VAL A 47 3.040 -17.859 -1.329 1.00 73.12 H new ATOM 0 HG13 VAL A 47 4.756 -17.402 -1.219 1.00 73.12 H new ATOM 0 HG21 VAL A 47 5.652 -19.049 -3.670 1.00 3.11 H new ATOM 0 HG22 VAL A 47 6.522 -19.043 -2.118 1.00 3.11 H new ATOM 0 HG23 VAL A 47 5.970 -20.581 -2.823 1.00 3.11 H new ATOM 758 N ASP A 48 3.159 -18.937 1.115 1.00 31.11 N ATOM 759 CA ASP A 48 1.955 -18.654 1.887 1.00 72.44 C ATOM 760 C ASP A 48 1.500 -17.213 1.676 1.00 70.23 C ATOM 761 O ASP A 48 2.231 -16.268 1.980 1.00 21.40 O ATOM 762 CB ASP A 48 2.205 -18.910 3.375 1.00 33.25 C ATOM 763 CG ASP A 48 0.931 -19.247 4.126 1.00 71.03 C ATOM 764 OD1 ASP A 48 0.284 -20.255 3.774 1.00 23.12 O ATOM 765 OD2 ASP A 48 0.581 -18.500 5.065 1.00 32.52 O1- ATOM 0 H ASP A 48 3.967 -18.368 1.370 1.00 31.11 H new ATOM 0 HA ASP A 48 1.166 -19.320 1.539 1.00 72.44 H new ATOM 0 HB2 ASP A 48 2.916 -19.729 3.486 1.00 33.25 H new ATOM 0 HB3 ASP A 48 2.664 -18.027 3.821 1.00 33.25 H new ATOM 770 N LEU A 49 0.291 -17.050 1.153 1.00 24.33 N ATOM 771 CA LEU A 49 -0.262 -15.724 0.899 1.00 74.30 C ATOM 772 C LEU A 49 -1.133 -15.265 2.064 1.00 41.23 C ATOM 773 O LEU A 49 -1.805 -16.072 2.705 1.00 13.24 O ATOM 774 CB LEU A 49 -1.079 -15.729 -0.393 1.00 25.14 C ATOM 775 CG LEU A 49 -1.892 -14.465 -0.679 1.00 4.23 C ATOM 776 CD1 LEU A 49 -1.993 -14.222 -2.177 1.00 52.13 C ATOM 777 CD2 LEU A 49 -3.278 -14.571 -0.059 1.00 21.20 C ATOM 0 H LEU A 49 -0.327 -17.820 0.896 1.00 24.33 H new ATOM 0 HA LEU A 49 0.568 -15.026 0.793 1.00 74.30 H new ATOM 0 HB2 LEU A 49 -0.399 -15.896 -1.228 1.00 25.14 H new ATOM 0 HB3 LEU A 49 -1.763 -16.578 -0.364 1.00 25.14 H new ATOM 0 HG LEU A 49 -1.378 -13.616 -0.228 1.00 4.23 H new ATOM 0 HD11 LEU A 49 -2.575 -13.319 -2.361 1.00 52.13 H new ATOM 0 HD12 LEU A 49 -0.993 -14.101 -2.594 1.00 52.13 H new ATOM 0 HD13 LEU A 49 -2.483 -15.072 -2.651 1.00 52.13 H new ATOM 0 HD21 LEU A 49 -3.842 -13.663 -0.272 1.00 21.20 H new ATOM 0 HD22 LEU A 49 -3.800 -15.430 -0.480 1.00 21.20 H new ATOM 0 HD23 LEU A 49 -3.185 -14.696 1.020 1.00 21.20 H new ATOM 789 N ASN A 50 -1.118 -13.963 2.330 1.00 2.14 N ATOM 790 CA ASN A 50 -1.909 -13.396 3.417 1.00 51.24 C ATOM 791 C ASN A 50 -2.790 -12.258 2.912 1.00 73.32 C ATOM 792 O ASN A 50 -2.335 -11.122 2.773 1.00 30.13 O ATOM 793 CB ASN A 50 -0.992 -12.891 4.532 1.00 23.52 C ATOM 794 CG ASN A 50 -0.467 -14.015 5.404 1.00 61.45 C ATOM 795 OD1 ASN A 50 0.707 -14.378 5.329 1.00 42.53 O ATOM 796 ND2 ASN A 50 -1.338 -14.573 6.237 1.00 44.50 N ATOM 0 H ASN A 50 -0.567 -13.281 1.808 1.00 2.14 H new ATOM 0 HA ASN A 50 -2.553 -14.181 3.813 1.00 51.24 H new ATOM 0 HB2 ASN A 50 -0.152 -12.354 4.092 1.00 23.52 H new ATOM 0 HB3 ASN A 50 -1.537 -12.179 5.152 1.00 23.52 H new ATOM 0 HD21 ASN A 50 -1.043 -15.335 6.848 1.00 44.50 H new ATOM 0 HD22 ASN A 50 -2.302 -14.240 6.266 1.00 44.50 H new ATOM 803 N ARG A 51 -4.053 -12.570 2.640 1.00 0.13 N ATOM 804 CA ARG A 51 -4.998 -11.573 2.151 1.00 51.01 C ATOM 805 C ARG A 51 -5.329 -10.557 3.239 1.00 31.24 C ATOM 806 O ARG A 51 -5.929 -9.517 2.969 1.00 2.24 O ATOM 807 CB ARG A 51 -6.280 -12.251 1.664 1.00 21.12 C ATOM 808 CG ARG A 51 -7.016 -13.015 2.752 1.00 33.14 C ATOM 809 CD ARG A 51 -8.335 -13.576 2.245 1.00 3.53 C ATOM 810 NE ARG A 51 -8.911 -14.547 3.173 1.00 0.04 N ATOM 811 CZ ARG A 51 -10.186 -14.915 3.154 1.00 72.34 C ATOM 812 NH1 ARG A 51 -11.016 -14.397 2.258 1.00 33.11 N1+ ATOM 813 NH2 ARG A 51 -10.635 -15.804 4.031 1.00 73.32 N ATOM 0 H ARG A 51 -4.445 -13.505 2.750 1.00 0.13 H new ATOM 0 HA ARG A 51 -4.533 -11.047 1.317 1.00 51.01 H new ATOM 0 HB2 ARG A 51 -6.946 -11.494 1.249 1.00 21.12 H new ATOM 0 HB3 ARG A 51 -6.033 -12.937 0.854 1.00 21.12 H new ATOM 0 HG2 ARG A 51 -6.388 -13.829 3.114 1.00 33.14 H new ATOM 0 HG3 ARG A 51 -7.202 -12.355 3.599 1.00 33.14 H new ATOM 0 HD2 ARG A 51 -9.041 -12.760 2.091 1.00 3.53 H new ATOM 0 HD3 ARG A 51 -8.179 -14.050 1.276 1.00 3.53 H new ATOM 0 HE ARG A 51 -8.299 -14.965 3.874 1.00 0.04 H new ATOM 0 HH11 ARG A 51 -10.675 -13.714 1.581 1.00 33.11 H new ATOM 0 HH12 ARG A 51 -11.995 -14.682 2.246 1.00 33.11 H new ATOM 0 HH21 ARG A 51 -10.000 -16.205 4.721 1.00 73.32 H new ATOM 0 HH22 ARG A 51 -11.615 -16.086 4.015 1.00 73.32 H new ATOM 827 N GLU A 52 -4.934 -10.866 4.470 1.00 34.15 N ATOM 828 CA GLU A 52 -5.190 -9.979 5.599 1.00 24.22 C ATOM 829 C GLU A 52 -4.382 -8.690 5.473 1.00 0.20 C ATOM 830 O GLU A 52 -4.889 -7.598 5.728 1.00 22.35 O ATOM 831 CB GLU A 52 -4.850 -10.682 6.915 1.00 52.12 C ATOM 832 CG GLU A 52 -3.420 -11.192 6.981 1.00 75.31 C ATOM 833 CD GLU A 52 -3.145 -11.996 8.236 1.00 73.42 C ATOM 834 OE1 GLU A 52 -4.108 -12.297 8.971 1.00 11.41 O ATOM 835 OE2 GLU A 52 -1.966 -12.325 8.482 1.00 52.33 O1- ATOM 0 H GLU A 52 -4.436 -11.723 4.711 1.00 34.15 H new ATOM 0 HA GLU A 52 -6.250 -9.724 5.595 1.00 24.22 H new ATOM 0 HB2 GLU A 52 -5.019 -9.991 7.741 1.00 52.12 H new ATOM 0 HB3 GLU A 52 -5.533 -11.520 7.056 1.00 52.12 H new ATOM 0 HG2 GLU A 52 -3.218 -11.810 6.106 1.00 75.31 H new ATOM 0 HG3 GLU A 52 -2.734 -10.346 6.938 1.00 75.31 H new ATOM 842 N THR A 53 -3.120 -8.827 5.079 1.00 23.40 N ATOM 843 CA THR A 53 -2.240 -7.676 4.921 1.00 34.31 C ATOM 844 C THR A 53 -1.614 -7.648 3.531 1.00 54.44 C ATOM 845 O THR A 53 -0.627 -6.953 3.298 1.00 31.00 O ATOM 846 CB THR A 53 -1.118 -7.677 5.976 1.00 73.11 C ATOM 847 OG1 THR A 53 -0.303 -6.509 5.826 1.00 13.41 O ATOM 848 CG2 THR A 53 -0.255 -8.924 5.848 1.00 32.42 C ATOM 0 H THR A 53 -2.684 -9.724 4.863 1.00 23.40 H new ATOM 0 HA THR A 53 -2.856 -6.787 5.057 1.00 34.31 H new ATOM 0 HB THR A 53 -1.579 -7.673 6.964 1.00 73.11 H new ATOM 0 HG1 THR A 53 -0.016 -6.428 4.892 1.00 13.41 H new ATOM 0 HG21 THR A 53 0.530 -8.902 6.604 1.00 32.42 H new ATOM 0 HG22 THR A 53 -0.873 -9.810 5.992 1.00 32.42 H new ATOM 0 HG23 THR A 53 0.196 -8.954 4.856 1.00 32.42 H new ATOM 856 N GLY A 54 -2.196 -8.411 2.610 1.00 23.41 N ATOM 857 CA GLY A 54 -1.682 -8.459 1.253 1.00 44.31 C ATOM 858 C GLY A 54 -0.198 -8.764 1.206 1.00 5.13 C ATOM 859 O GLY A 54 0.494 -8.369 0.268 1.00 74.51 O ATOM 0 H GLY A 54 -3.014 -8.996 2.779 1.00 23.41 H new ATOM 0 HA2 GLY A 54 -2.224 -9.218 0.689 1.00 44.31 H new ATOM 0 HA3 GLY A 54 -1.869 -7.504 0.763 1.00 44.31 H new ATOM 863 N SER A 55 0.293 -9.466 2.223 1.00 33.40 N ATOM 864 CA SER A 55 1.705 -9.819 2.297 1.00 75.11 C ATOM 865 C SER A 55 1.942 -11.230 1.767 1.00 63.23 C ATOM 866 O SER A 55 0.995 -11.964 1.482 1.00 45.55 O ATOM 867 CB SER A 55 2.204 -9.714 3.740 1.00 55.25 C ATOM 868 OG SER A 55 3.614 -9.576 3.782 1.00 71.01 O ATOM 0 H SER A 55 -0.267 -9.801 3.007 1.00 33.40 H new ATOM 0 HA SER A 55 2.262 -9.118 1.675 1.00 75.11 H new ATOM 0 HB2 SER A 55 1.737 -8.859 4.229 1.00 55.25 H new ATOM 0 HB3 SER A 55 1.905 -10.602 4.297 1.00 55.25 H new ATOM 0 HG SER A 55 3.909 -9.509 4.714 1.00 71.01 H new ATOM 874 N ILE A 56 3.211 -11.602 1.637 1.00 3.53 N ATOM 875 CA ILE A 56 3.572 -12.924 1.143 1.00 74.13 C ATOM 876 C ILE A 56 4.897 -13.390 1.735 1.00 0.40 C ATOM 877 O ILE A 56 5.791 -12.584 1.992 1.00 42.33 O ATOM 878 CB ILE A 56 3.676 -12.941 -0.394 1.00 73.52 C ATOM 879 CG1 ILE A 56 3.508 -14.367 -0.923 1.00 3.03 C ATOM 880 CG2 ILE A 56 5.008 -12.358 -0.842 1.00 41.12 C ATOM 881 CD1 ILE A 56 2.081 -14.714 -1.284 1.00 3.04 C ATOM 0 H ILE A 56 4.006 -11.006 1.867 1.00 3.53 H new ATOM 0 HA ILE A 56 2.779 -13.604 1.454 1.00 74.13 H new ATOM 0 HB ILE A 56 2.876 -12.325 -0.804 1.00 73.52 H new ATOM 0 HG12 ILE A 56 4.138 -14.496 -1.803 1.00 3.03 H new ATOM 0 HG13 ILE A 56 3.865 -15.070 -0.170 1.00 3.03 H new ATOM 0 HG21 ILE A 56 5.066 -12.377 -1.930 1.00 41.12 H new ATOM 0 HG22 ILE A 56 5.091 -11.329 -0.492 1.00 41.12 H new ATOM 0 HG23 ILE A 56 5.823 -12.950 -0.425 1.00 41.12 H new ATOM 0 HD11 ILE A 56 2.038 -15.739 -1.651 1.00 3.04 H new ATOM 0 HD12 ILE A 56 1.449 -14.618 -0.401 1.00 3.04 H new ATOM 0 HD13 ILE A 56 1.727 -14.035 -2.060 1.00 3.04 H new ATOM 893 N ARG A 57 5.018 -14.696 1.948 1.00 32.14 N ATOM 894 CA ARG A 57 6.234 -15.270 2.510 1.00 64.45 C ATOM 895 C ARG A 57 6.515 -16.645 1.911 1.00 32.01 C ATOM 896 O ARG A 57 5.642 -17.514 1.889 1.00 32.22 O ATOM 897 CB ARG A 57 6.116 -15.379 4.032 1.00 61.04 C ATOM 898 CG ARG A 57 6.126 -14.036 4.742 1.00 70.51 C ATOM 899 CD ARG A 57 7.464 -13.332 4.583 1.00 15.33 C ATOM 900 NE ARG A 57 7.798 -12.521 5.751 1.00 71.31 N ATOM 901 CZ ARG A 57 7.220 -11.357 6.027 1.00 72.11 C ATOM 902 NH1 ARG A 57 6.284 -10.871 5.224 1.00 34.40 N1+ ATOM 903 NH2 ARG A 57 7.578 -10.678 7.109 1.00 34.43 N ATOM 0 H ARG A 57 4.288 -15.377 1.740 1.00 32.14 H new ATOM 0 HA ARG A 57 7.065 -14.609 2.263 1.00 64.45 H new ATOM 0 HB2 ARG A 57 5.194 -15.904 4.280 1.00 61.04 H new ATOM 0 HB3 ARG A 57 6.939 -15.986 4.409 1.00 61.04 H new ATOM 0 HG2 ARG A 57 5.332 -13.406 4.342 1.00 70.51 H new ATOM 0 HG3 ARG A 57 5.914 -14.182 5.801 1.00 70.51 H new ATOM 0 HD2 ARG A 57 8.247 -14.073 4.421 1.00 15.33 H new ATOM 0 HD3 ARG A 57 7.437 -12.698 3.697 1.00 15.33 H new ATOM 0 HE ARG A 57 8.514 -12.867 6.390 1.00 71.31 H new ATOM 0 HH11 ARG A 57 6.006 -11.391 4.392 1.00 34.40 H new ATOM 0 HH12 ARG A 57 5.842 -9.977 5.438 1.00 34.40 H new ATOM 0 HH21 ARG A 57 8.297 -11.050 7.729 1.00 34.43 H new ATOM 0 HH22 ARG A 57 7.134 -9.784 7.320 1.00 34.43 H new ATOM 917 N VAL A 58 7.736 -16.835 1.424 1.00 42.34 N ATOM 918 CA VAL A 58 8.132 -18.104 0.824 1.00 43.54 C ATOM 919 C VAL A 58 9.073 -18.875 1.742 1.00 10.15 C ATOM 920 O VAL A 58 10.164 -18.406 2.068 1.00 73.04 O ATOM 921 CB VAL A 58 8.820 -17.891 -0.537 1.00 23.50 C ATOM 922 CG1 VAL A 58 8.959 -19.212 -1.277 1.00 55.51 C ATOM 923 CG2 VAL A 58 8.049 -16.881 -1.373 1.00 4.35 C ATOM 0 H VAL A 58 8.469 -16.126 1.433 1.00 42.34 H new ATOM 0 HA VAL A 58 7.220 -18.682 0.675 1.00 43.54 H new ATOM 0 HB VAL A 58 9.819 -17.493 -0.360 1.00 23.50 H new ATOM 0 HG11 VAL A 58 9.447 -19.042 -2.237 1.00 55.51 H new ATOM 0 HG12 VAL A 58 9.558 -19.901 -0.682 1.00 55.51 H new ATOM 0 HG13 VAL A 58 7.971 -19.641 -1.444 1.00 55.51 H new ATOM 0 HG21 VAL A 58 8.550 -16.743 -2.331 1.00 4.35 H new ATOM 0 HG22 VAL A 58 7.036 -17.247 -1.542 1.00 4.35 H new ATOM 0 HG23 VAL A 58 8.007 -15.928 -0.845 1.00 4.35 H new ATOM 933 N PHE A 59 8.644 -20.063 2.157 1.00 1.31 N ATOM 934 CA PHE A 59 9.448 -20.901 3.039 1.00 44.44 C ATOM 935 C PHE A 59 9.768 -22.237 2.376 1.00 1.24 C ATOM 936 O PHE A 59 9.010 -22.725 1.537 1.00 3.23 O ATOM 937 CB PHE A 59 8.715 -21.137 4.361 1.00 43.13 C ATOM 938 CG PHE A 59 8.329 -19.870 5.067 1.00 34.01 C ATOM 939 CD1 PHE A 59 9.295 -19.051 5.627 1.00 52.45 C ATOM 940 CD2 PHE A 59 6.998 -19.496 5.170 1.00 45.01 C ATOM 941 CE1 PHE A 59 8.943 -17.884 6.279 1.00 33.32 C ATOM 942 CE2 PHE A 59 6.639 -18.330 5.820 1.00 52.11 C ATOM 943 CZ PHE A 59 7.612 -17.522 6.374 1.00 33.22 C ATOM 0 H PHE A 59 7.744 -20.467 1.897 1.00 1.31 H new ATOM 0 HA PHE A 59 10.385 -20.381 3.239 1.00 44.44 H new ATOM 0 HB2 PHE A 59 7.817 -21.725 4.169 1.00 43.13 H new ATOM 0 HB3 PHE A 59 9.350 -21.731 5.018 1.00 43.13 H new ATOM 0 HD1 PHE A 59 10.336 -19.327 5.553 1.00 52.45 H new ATOM 0 HD2 PHE A 59 6.233 -20.123 4.737 1.00 45.01 H new ATOM 0 HE1 PHE A 59 9.707 -17.256 6.714 1.00 33.32 H new ATOM 0 HE2 PHE A 59 5.598 -18.051 5.894 1.00 52.11 H new ATOM 0 HZ PHE A 59 7.334 -16.609 6.880 1.00 33.22 H new ATOM 953 N ALA A 60 10.898 -22.825 2.757 1.00 64.33 N ATOM 954 CA ALA A 60 11.320 -24.105 2.202 1.00 61.55 C ATOM 955 C ALA A 60 11.166 -25.225 3.225 1.00 45.11 C ATOM 956 O ALA A 60 11.527 -25.066 4.392 1.00 31.21 O ATOM 957 CB ALA A 60 12.760 -24.022 1.719 1.00 21.41 C ATOM 0 H ALA A 60 11.538 -22.434 3.449 1.00 64.33 H new ATOM 0 HA ALA A 60 10.677 -24.334 1.353 1.00 61.55 H new ATOM 0 HB1 ALA A 60 13.062 -24.985 1.307 1.00 21.41 H new ATOM 0 HB2 ALA A 60 12.842 -23.256 0.948 1.00 21.41 H new ATOM 0 HB3 ALA A 60 13.410 -23.766 2.555 1.00 21.41 H new ATOM 963 N ARG A 61 10.627 -26.355 2.781 1.00 41.23 N ATOM 964 CA ARG A 61 10.424 -27.501 3.661 1.00 72.14 C ATOM 965 C ARG A 61 11.633 -28.433 3.628 1.00 20.13 C ATOM 966 O ARG A 61 11.818 -29.193 2.678 1.00 1.01 O ATOM 967 CB ARG A 61 9.165 -28.268 3.251 1.00 64.24 C ATOM 968 CG ARG A 61 8.386 -28.833 4.428 1.00 32.03 C ATOM 969 CD ARG A 61 6.960 -29.184 4.035 1.00 70.43 C ATOM 970 NE ARG A 61 6.487 -30.390 4.709 1.00 4.21 N ATOM 971 CZ ARG A 61 6.781 -31.620 4.304 1.00 31.53 C ATOM 972 NH1 ARG A 61 7.541 -31.806 3.234 1.00 71.04 N1+ ATOM 973 NH2 ARG A 61 6.314 -32.669 4.970 1.00 24.30 N ATOM 0 H ARG A 61 10.323 -26.502 1.819 1.00 41.23 H new ATOM 0 HA ARG A 61 10.301 -27.129 4.678 1.00 72.14 H new ATOM 0 HB2 ARG A 61 8.515 -27.604 2.681 1.00 64.24 H new ATOM 0 HB3 ARG A 61 9.448 -29.085 2.587 1.00 64.24 H new ATOM 0 HG2 ARG A 61 8.890 -29.723 4.806 1.00 32.03 H new ATOM 0 HG3 ARG A 61 8.372 -28.106 5.240 1.00 32.03 H new ATOM 0 HD2 ARG A 61 6.301 -28.351 4.279 1.00 70.43 H new ATOM 0 HD3 ARG A 61 6.906 -29.327 2.956 1.00 70.43 H new ATOM 0 HE ARG A 61 5.899 -30.282 5.535 1.00 4.21 H new ATOM 0 HH11 ARG A 61 7.902 -31.003 2.719 1.00 71.04 H new ATOM 0 HH12 ARG A 61 7.765 -32.752 2.926 1.00 71.04 H new ATOM 0 HH21 ARG A 61 5.729 -32.531 5.794 1.00 24.30 H new ATOM 0 HH22 ARG A 61 6.540 -33.613 4.658 1.00 24.30 H new ATOM 987 N LYS A 62 12.452 -28.366 4.672 1.00 10.33 N ATOM 988 CA LYS A 62 13.643 -29.203 4.765 1.00 21.43 C ATOM 989 C LYS A 62 13.408 -30.380 5.706 1.00 75.40 C ATOM 990 O LYS A 62 12.847 -30.219 6.790 1.00 2.42 O ATOM 991 CB LYS A 62 14.834 -28.377 5.252 1.00 43.22 C ATOM 992 CG LYS A 62 15.574 -27.659 4.136 1.00 41.54 C ATOM 993 CD LYS A 62 16.510 -26.594 4.682 1.00 43.23 C ATOM 994 CE LYS A 62 17.598 -26.241 3.680 1.00 43.44 C ATOM 995 NZ LYS A 62 17.993 -24.808 3.771 1.00 24.24 N1+ ATOM 0 H LYS A 62 12.313 -27.741 5.466 1.00 10.33 H new ATOM 0 HA LYS A 62 13.862 -29.593 3.771 1.00 21.43 H new ATOM 0 HB2 LYS A 62 14.483 -27.641 5.976 1.00 43.22 H new ATOM 0 HB3 LYS A 62 15.530 -29.032 5.775 1.00 43.22 H new ATOM 0 HG2 LYS A 62 16.145 -28.382 3.553 1.00 41.54 H new ATOM 0 HG3 LYS A 62 14.855 -27.199 3.458 1.00 41.54 H new ATOM 0 HD2 LYS A 62 15.939 -25.699 4.931 1.00 43.23 H new ATOM 0 HD3 LYS A 62 16.966 -26.948 5.606 1.00 43.23 H new ATOM 0 HE2 LYS A 62 18.471 -26.870 3.855 1.00 43.44 H new ATOM 0 HE3 LYS A 62 17.247 -26.457 2.671 1.00 43.44 H new ATOM 0 HZ1 LYS A 62 18.737 -24.608 3.072 1.00 24.24 H new ATOM 0 HZ2 LYS A 62 17.166 -24.207 3.579 1.00 24.24 H new ATOM 0 HZ3 LYS A 62 18.353 -24.607 4.726 1.00 24.24 H new ATOM 1009 N ASP A 63 13.841 -31.563 5.285 1.00 23.54 N ATOM 1010 CA ASP A 63 13.680 -32.768 6.091 1.00 42.41 C ATOM 1011 C ASP A 63 14.641 -32.760 7.277 1.00 73.33 C ATOM 1012 O ASP A 63 15.856 -32.851 7.105 1.00 62.32 O ATOM 1013 CB ASP A 63 13.916 -34.014 5.237 1.00 73.01 C ATOM 1014 CG ASP A 63 12.796 -35.028 5.371 1.00 64.14 C ATOM 1015 OD1 ASP A 63 11.626 -34.608 5.481 1.00 60.22 O1- ATOM 1016 OD2 ASP A 63 13.091 -36.242 5.368 1.00 40.11 O ATOM 0 H ASP A 63 14.306 -31.714 4.390 1.00 23.54 H new ATOM 0 HA ASP A 63 12.659 -32.787 6.473 1.00 42.41 H new ATOM 0 HB2 ASP A 63 14.014 -33.721 4.192 1.00 73.01 H new ATOM 0 HB3 ASP A 63 14.859 -34.477 5.528 1.00 73.01 H new ATOM 1021 N VAL A 64 14.086 -32.649 8.480 1.00 22.25 N ATOM 1022 CA VAL A 64 14.893 -32.630 9.694 1.00 63.30 C ATOM 1023 C VAL A 64 15.536 -33.988 9.948 1.00 51.12 C ATOM 1024 O VAL A 64 14.848 -34.970 10.226 1.00 75.14 O ATOM 1025 CB VAL A 64 14.050 -32.235 10.921 1.00 43.02 C ATOM 1026 CG1 VAL A 64 14.941 -32.024 12.136 1.00 52.52 C ATOM 1027 CG2 VAL A 64 13.233 -30.986 10.626 1.00 14.04 C ATOM 0 H VAL A 64 13.082 -32.571 8.640 1.00 22.25 H new ATOM 0 HA VAL A 64 15.674 -31.885 9.544 1.00 63.30 H new ATOM 0 HB VAL A 64 13.360 -33.049 11.143 1.00 43.02 H new ATOM 0 HG11 VAL A 64 14.328 -31.746 12.993 1.00 52.52 H new ATOM 0 HG12 VAL A 64 15.478 -32.946 12.358 1.00 52.52 H new ATOM 0 HG13 VAL A 64 15.657 -31.229 11.928 1.00 52.52 H new ATOM 0 HG21 VAL A 64 12.643 -30.721 11.504 1.00 14.04 H new ATOM 0 HG22 VAL A 64 13.903 -30.163 10.377 1.00 14.04 H new ATOM 0 HG23 VAL A 64 12.566 -31.178 9.785 1.00 14.04 H new ATOM 1037 N VAL A 65 16.861 -34.037 9.854 1.00 11.54 N ATOM 1038 CA VAL A 65 17.599 -35.274 10.075 1.00 13.21 C ATOM 1039 C VAL A 65 18.915 -35.008 10.795 1.00 31.21 C ATOM 1040 O VAL A 65 19.519 -33.947 10.636 1.00 25.11 O ATOM 1041 CB VAL A 65 17.890 -36.000 8.748 1.00 54.34 C ATOM 1042 CG1 VAL A 65 16.606 -36.549 8.146 1.00 54.12 C ATOM 1043 CG2 VAL A 65 18.588 -35.064 7.773 1.00 31.51 C ATOM 0 H VAL A 65 17.446 -33.233 9.626 1.00 11.54 H new ATOM 0 HA VAL A 65 16.970 -35.910 10.698 1.00 13.21 H new ATOM 0 HB VAL A 65 18.555 -36.840 8.951 1.00 54.34 H new ATOM 0 HG11 VAL A 65 16.832 -37.058 7.209 1.00 54.12 H new ATOM 0 HG12 VAL A 65 16.150 -37.254 8.841 1.00 54.12 H new ATOM 0 HG13 VAL A 65 15.914 -35.729 7.955 1.00 54.12 H new ATOM 0 HG21 VAL A 65 18.787 -35.592 6.840 1.00 31.51 H new ATOM 0 HG22 VAL A 65 17.949 -34.204 7.574 1.00 31.51 H new ATOM 0 HG23 VAL A 65 19.529 -34.724 8.205 1.00 31.51 H new ATOM 1053 N ASP A 66 19.357 -35.978 11.589 1.00 62.52 N ATOM 1054 CA ASP A 66 20.604 -35.850 12.334 1.00 23.33 C ATOM 1055 C ASP A 66 21.758 -35.492 11.402 1.00 21.04 C ATOM 1056 O ASP A 66 22.679 -34.772 11.789 1.00 0.24 O ATOM 1057 CB ASP A 66 20.915 -37.150 13.077 1.00 11.32 C ATOM 1058 CG ASP A 66 22.108 -37.016 14.002 1.00 10.50 C ATOM 1059 OD1 ASP A 66 21.990 -36.310 15.024 1.00 75.33 O1- ATOM 1060 OD2 ASP A 66 23.161 -37.618 13.703 1.00 32.13 O ATOM 0 H ASP A 66 18.869 -36.862 11.733 1.00 62.52 H new ATOM 0 HA ASP A 66 20.485 -35.046 13.061 1.00 23.33 H new ATOM 0 HB2 ASP A 66 20.042 -37.452 13.656 1.00 11.32 H new ATOM 0 HB3 ASP A 66 21.107 -37.942 12.353 1.00 11.32 H new ATOM 1065 N GLU A 67 21.702 -36.000 10.176 1.00 15.03 N ATOM 1066 CA GLU A 67 22.744 -35.735 9.191 1.00 31.11 C ATOM 1067 C GLU A 67 22.145 -35.551 7.801 1.00 50.23 C ATOM 1068 O GLU A 67 21.224 -36.269 7.408 1.00 63.43 O ATOM 1069 CB GLU A 67 23.761 -36.878 9.173 1.00 55.42 C ATOM 1070 CG GLU A 67 24.542 -37.020 10.469 1.00 72.25 C ATOM 1071 CD GLU A 67 25.671 -38.026 10.363 1.00 31.21 C ATOM 1072 OE1 GLU A 67 25.393 -39.241 10.454 1.00 71.05 O ATOM 1073 OE2 GLU A 67 26.832 -37.600 10.190 1.00 25.33 O1- ATOM 0 H GLU A 67 20.946 -36.597 9.841 1.00 15.03 H new ATOM 0 HA GLU A 67 23.250 -34.812 9.474 1.00 31.11 H new ATOM 0 HB2 GLU A 67 23.240 -37.813 8.969 1.00 55.42 H new ATOM 0 HB3 GLU A 67 24.461 -36.717 8.353 1.00 55.42 H new ATOM 0 HG2 GLU A 67 24.951 -36.050 10.751 1.00 72.25 H new ATOM 0 HG3 GLU A 67 23.864 -37.324 11.266 1.00 72.25 H new ATOM 1080 N VAL A 68 22.672 -34.582 7.059 1.00 15.43 N ATOM 1081 CA VAL A 68 22.191 -34.302 5.711 1.00 65.11 C ATOM 1082 C VAL A 68 22.196 -35.562 4.852 1.00 4.00 C ATOM 1083 O VAL A 68 23.246 -36.164 4.623 1.00 42.11 O ATOM 1084 CB VAL A 68 23.045 -33.221 5.023 1.00 61.52 C ATOM 1085 CG1 VAL A 68 22.562 -32.984 3.600 1.00 71.34 C ATOM 1086 CG2 VAL A 68 23.019 -31.929 5.826 1.00 63.52 C ATOM 0 H VAL A 68 23.433 -33.977 7.369 1.00 15.43 H new ATOM 0 HA VAL A 68 21.168 -33.938 5.810 1.00 65.11 H new ATOM 0 HB VAL A 68 24.076 -33.572 4.978 1.00 61.52 H new ATOM 0 HG11 VAL A 68 23.177 -32.217 3.130 1.00 71.34 H new ATOM 0 HG12 VAL A 68 22.639 -33.910 3.031 1.00 71.34 H new ATOM 0 HG13 VAL A 68 21.523 -32.655 3.618 1.00 71.34 H new ATOM 0 HG21 VAL A 68 23.628 -31.177 5.325 1.00 63.52 H new ATOM 0 HG22 VAL A 68 21.993 -31.571 5.906 1.00 63.52 H new ATOM 0 HG23 VAL A 68 23.418 -32.113 6.824 1.00 63.52 H new ATOM 1096 N TYR A 69 21.019 -35.955 4.380 1.00 32.10 N ATOM 1097 CA TYR A 69 20.887 -37.145 3.548 1.00 32.14 C ATOM 1098 C TYR A 69 20.412 -36.779 2.145 1.00 61.22 C ATOM 1099 O TYR A 69 20.659 -37.507 1.184 1.00 10.20 O ATOM 1100 CB TYR A 69 19.912 -38.135 4.188 1.00 62.24 C ATOM 1101 CG TYR A 69 20.575 -39.116 5.127 1.00 44.51 C ATOM 1102 CD1 TYR A 69 21.361 -40.153 4.639 1.00 73.44 C ATOM 1103 CD2 TYR A 69 20.415 -39.008 6.503 1.00 23.33 C ATOM 1104 CE1 TYR A 69 21.968 -41.052 5.494 1.00 1.01 C ATOM 1105 CE2 TYR A 69 21.019 -39.902 7.366 1.00 60.10 C ATOM 1106 CZ TYR A 69 21.794 -40.922 6.856 1.00 34.24 C ATOM 1107 OH TYR A 69 22.397 -41.817 7.712 1.00 60.13 O ATOM 0 H TYR A 69 20.142 -35.467 4.559 1.00 32.10 H new ATOM 0 HA TYR A 69 21.868 -37.613 3.469 1.00 32.14 H new ATOM 0 HB2 TYR A 69 19.150 -37.580 4.735 1.00 62.24 H new ATOM 0 HB3 TYR A 69 19.400 -38.688 3.401 1.00 62.24 H new ATOM 0 HD1 TYR A 69 21.500 -40.258 3.573 1.00 73.44 H new ATOM 0 HD2 TYR A 69 19.807 -38.211 6.905 1.00 23.33 H new ATOM 0 HE1 TYR A 69 22.576 -41.852 5.098 1.00 1.01 H new ATOM 0 HE2 TYR A 69 20.885 -39.803 8.433 1.00 60.10 H new ATOM 0 HH TYR A 69 22.175 -41.585 8.638 1.00 60.13 H new ATOM 1117 N ASP A 70 19.728 -35.646 2.037 1.00 20.02 N ATOM 1118 CA ASP A 70 19.217 -35.180 0.753 1.00 33.31 C ATOM 1119 C ASP A 70 19.877 -33.864 0.351 1.00 24.14 C ATOM 1120 O ASP A 70 19.478 -32.795 0.809 1.00 24.10 O ATOM 1121 CB ASP A 70 17.699 -35.006 0.815 1.00 13.03 C ATOM 1122 CG ASP A 70 16.955 -36.265 0.416 1.00 63.42 C ATOM 1123 OD1 ASP A 70 16.684 -36.436 -0.792 1.00 60.34 O ATOM 1124 OD2 ASP A 70 16.644 -37.079 1.310 1.00 62.25 O1- ATOM 0 H ASP A 70 19.514 -35.033 2.823 1.00 20.02 H new ATOM 0 HA ASP A 70 19.457 -35.931 0.001 1.00 33.31 H new ATOM 0 HB2 ASP A 70 17.410 -34.722 1.827 1.00 13.03 H new ATOM 0 HB3 ASP A 70 17.403 -34.189 0.157 1.00 13.03 H new ATOM 1129 N GLN A 71 20.888 -33.953 -0.507 1.00 45.13 N ATOM 1130 CA GLN A 71 21.603 -32.769 -0.969 1.00 73.34 C ATOM 1131 C GLN A 71 20.643 -31.759 -1.589 1.00 44.25 C ATOM 1132 O GLN A 71 20.918 -30.560 -1.613 1.00 55.10 O ATOM 1133 CB GLN A 71 22.677 -33.161 -1.986 1.00 71.25 C ATOM 1134 CG GLN A 71 23.887 -32.239 -1.979 1.00 52.44 C ATOM 1135 CD GLN A 71 24.749 -32.418 -0.745 1.00 44.52 C ATOM 1136 OE1 GLN A 71 24.423 -31.918 0.332 1.00 34.54 O ATOM 1137 NE2 GLN A 71 25.857 -33.135 -0.895 1.00 51.40 N ATOM 0 H GLN A 71 21.230 -34.832 -0.896 1.00 45.13 H new ATOM 0 HA GLN A 71 22.081 -32.305 -0.106 1.00 73.34 H new ATOM 0 HB2 GLN A 71 23.006 -34.180 -1.781 1.00 71.25 H new ATOM 0 HB3 GLN A 71 22.238 -33.163 -2.984 1.00 71.25 H new ATOM 0 HG2 GLN A 71 24.488 -32.428 -2.868 1.00 52.44 H new ATOM 0 HG3 GLN A 71 23.551 -31.204 -2.036 1.00 52.44 H new ATOM 0 HE21 GLN A 71 26.089 -33.531 -1.806 1.00 51.40 H new ATOM 0 HE22 GLN A 71 26.476 -33.290 -0.099 1.00 51.40 H new ATOM 1146 N ARG A 72 19.516 -32.253 -2.089 1.00 4.45 N ATOM 1147 CA ARG A 72 18.515 -31.395 -2.711 1.00 31.14 C ATOM 1148 C ARG A 72 17.861 -30.484 -1.675 1.00 3.13 C ATOM 1149 O ARG A 72 17.652 -29.295 -1.923 1.00 25.45 O ATOM 1150 CB ARG A 72 17.447 -32.241 -3.407 1.00 14.31 C ATOM 1151 CG ARG A 72 16.757 -33.232 -2.484 1.00 43.23 C ATOM 1152 CD ARG A 72 15.814 -34.144 -3.252 1.00 44.31 C ATOM 1153 NE ARG A 72 16.522 -34.969 -4.226 1.00 31.03 N ATOM 1154 CZ ARG A 72 15.920 -35.841 -5.028 1.00 1.35 C ATOM 1155 NH1 ARG A 72 14.604 -35.999 -4.971 1.00 20.14 N1+ ATOM 1156 NH2 ARG A 72 16.633 -36.556 -5.888 1.00 72.31 N ATOM 0 H ARG A 72 19.273 -33.243 -2.076 1.00 4.45 H new ATOM 0 HA ARG A 72 19.017 -30.774 -3.453 1.00 31.14 H new ATOM 0 HB2 ARG A 72 16.697 -31.579 -3.841 1.00 14.31 H new ATOM 0 HB3 ARG A 72 17.907 -32.785 -4.232 1.00 14.31 H new ATOM 0 HG2 ARG A 72 17.506 -33.833 -1.968 1.00 43.23 H new ATOM 0 HG3 ARG A 72 16.200 -32.691 -1.719 1.00 43.23 H new ATOM 0 HD2 ARG A 72 15.281 -34.787 -2.551 1.00 44.31 H new ATOM 0 HD3 ARG A 72 15.064 -33.541 -3.765 1.00 44.31 H new ATOM 0 HE ARG A 72 17.535 -34.871 -4.295 1.00 31.03 H new ATOM 0 HH11 ARG A 72 14.053 -35.451 -4.311 1.00 20.14 H new ATOM 0 HH12 ARG A 72 14.144 -36.669 -5.587 1.00 20.14 H new ATOM 0 HH21 ARG A 72 17.645 -36.437 -5.934 1.00 72.31 H new ATOM 0 HH22 ARG A 72 16.169 -37.225 -6.503 1.00 72.31 H new ATOM 1170 N LEU A 73 17.542 -31.049 -0.517 1.00 3.20 N ATOM 1171 CA LEU A 73 16.911 -30.288 0.557 1.00 51.45 C ATOM 1172 C LEU A 73 16.941 -31.069 1.867 1.00 42.22 C ATOM 1173 O LEU A 73 16.416 -32.178 1.951 1.00 32.31 O ATOM 1174 CB LEU A 73 15.466 -29.945 0.187 1.00 24.54 C ATOM 1175 CG LEU A 73 14.505 -31.129 0.070 1.00 44.12 C ATOM 1176 CD1 LEU A 73 13.603 -31.206 1.291 1.00 70.54 C ATOM 1177 CD2 LEU A 73 13.676 -31.020 -1.201 1.00 14.14 C ATOM 0 H LEU A 73 17.709 -32.031 -0.297 1.00 3.20 H new ATOM 0 HA LEU A 73 17.473 -29.364 0.693 1.00 51.45 H new ATOM 0 HB2 LEU A 73 15.074 -29.257 0.936 1.00 24.54 H new ATOM 0 HB3 LEU A 73 15.472 -29.412 -0.764 1.00 24.54 H new ATOM 0 HG LEU A 73 15.093 -32.045 0.019 1.00 44.12 H new ATOM 0 HD11 LEU A 73 12.926 -32.054 1.190 1.00 70.54 H new ATOM 0 HD12 LEU A 73 14.212 -31.332 2.186 1.00 70.54 H new ATOM 0 HD13 LEU A 73 13.023 -30.287 1.373 1.00 70.54 H new ATOM 0 HD21 LEU A 73 12.998 -31.871 -1.267 1.00 14.14 H new ATOM 0 HD22 LEU A 73 13.098 -30.096 -1.180 1.00 14.14 H new ATOM 0 HD23 LEU A 73 14.337 -31.015 -2.067 1.00 14.14 H new ATOM 1189 N GLU A 74 17.556 -30.479 2.887 1.00 52.14 N ATOM 1190 CA GLU A 74 17.652 -31.120 4.195 1.00 53.33 C ATOM 1191 C GLU A 74 18.021 -30.104 5.272 1.00 31.14 C ATOM 1192 O GLU A 74 18.505 -29.013 4.971 1.00 54.40 O ATOM 1193 CB GLU A 74 18.690 -32.244 4.161 1.00 34.50 C ATOM 1194 CG GLU A 74 18.325 -33.434 5.030 1.00 5.55 C ATOM 1195 CD GLU A 74 17.455 -34.442 4.303 1.00 50.11 C ATOM 1196 OE1 GLU A 74 16.405 -34.039 3.762 1.00 53.23 O ATOM 1197 OE2 GLU A 74 17.826 -35.635 4.276 1.00 54.12 O1- ATOM 0 H GLU A 74 17.995 -29.560 2.834 1.00 52.14 H new ATOM 0 HA GLU A 74 16.677 -31.543 4.437 1.00 53.33 H new ATOM 0 HB2 GLU A 74 18.815 -32.581 3.132 1.00 34.50 H new ATOM 0 HB3 GLU A 74 19.652 -31.849 4.486 1.00 34.50 H new ATOM 0 HG2 GLU A 74 19.237 -33.925 5.369 1.00 5.55 H new ATOM 0 HG3 GLU A 74 17.802 -33.083 5.920 1.00 5.55 H new ATOM 1204 N ILE A 75 17.786 -30.471 6.528 1.00 62.14 N ATOM 1205 CA ILE A 75 18.093 -29.594 7.649 1.00 30.31 C ATOM 1206 C ILE A 75 18.556 -30.394 8.862 1.00 75.04 C ATOM 1207 O ILE A 75 17.880 -31.323 9.301 1.00 14.04 O ATOM 1208 CB ILE A 75 16.874 -28.740 8.047 1.00 50.21 C ATOM 1209 CG1 ILE A 75 17.190 -27.909 9.292 1.00 4.55 C ATOM 1210 CG2 ILE A 75 15.663 -29.628 8.289 1.00 62.41 C ATOM 1211 CD1 ILE A 75 16.702 -26.480 9.205 1.00 31.35 C ATOM 0 H ILE A 75 17.384 -31.370 6.793 1.00 62.14 H new ATOM 0 HA ILE A 75 18.897 -28.935 7.322 1.00 30.31 H new ATOM 0 HB ILE A 75 16.643 -28.058 7.228 1.00 50.21 H new ATOM 0 HG12 ILE A 75 16.738 -28.386 10.162 1.00 4.55 H new ATOM 0 HG13 ILE A 75 18.268 -27.907 9.454 1.00 4.55 H new ATOM 0 HG21 ILE A 75 14.809 -29.011 8.569 1.00 62.41 H new ATOM 0 HG22 ILE A 75 15.428 -30.180 7.379 1.00 62.41 H new ATOM 0 HG23 ILE A 75 15.882 -30.331 9.093 1.00 62.41 H new ATOM 0 HD11 ILE A 75 16.961 -25.951 10.122 1.00 31.35 H new ATOM 0 HD12 ILE A 75 17.173 -25.986 8.355 1.00 31.35 H new ATOM 0 HD13 ILE A 75 15.620 -26.472 9.075 1.00 31.35 H new ATOM 1223 N SER A 76 19.715 -30.023 9.401 1.00 72.03 N ATOM 1224 CA SER A 76 20.271 -30.708 10.562 1.00 2.32 C ATOM 1225 C SER A 76 19.421 -30.450 11.803 1.00 11.44 C ATOM 1226 O SER A 76 18.957 -29.332 12.028 1.00 13.53 O ATOM 1227 CB SER A 76 21.709 -30.250 10.810 1.00 63.42 C ATOM 1228 OG SER A 76 21.741 -28.941 11.352 1.00 63.00 O ATOM 0 H SER A 76 20.286 -29.253 9.052 1.00 72.03 H new ATOM 0 HA SER A 76 20.269 -31.779 10.358 1.00 2.32 H new ATOM 0 HB2 SER A 76 22.202 -30.942 11.493 1.00 63.42 H new ATOM 0 HB3 SER A 76 22.268 -30.273 9.874 1.00 63.42 H new ATOM 0 HG SER A 76 22.671 -28.672 11.503 1.00 63.00 H new ATOM 1234 N ILE A 77 19.223 -31.491 12.603 1.00 32.21 N ATOM 1235 CA ILE A 77 18.432 -31.376 13.822 1.00 42.24 C ATOM 1236 C ILE A 77 18.899 -30.202 14.674 1.00 3.30 C ATOM 1237 O ILE A 77 18.109 -29.590 15.393 1.00 62.34 O ATOM 1238 CB ILE A 77 18.502 -32.666 14.662 1.00 2.05 C ATOM 1239 CG1 ILE A 77 17.588 -32.554 15.884 1.00 61.14 C ATOM 1240 CG2 ILE A 77 19.935 -32.942 15.088 1.00 44.33 C ATOM 1241 CD1 ILE A 77 16.138 -32.305 15.535 1.00 2.10 C ATOM 0 H ILE A 77 19.599 -32.423 12.430 1.00 32.21 H new ATOM 0 HA ILE A 77 17.400 -31.208 13.513 1.00 42.24 H new ATOM 0 HB ILE A 77 18.159 -33.501 14.051 1.00 2.05 H new ATOM 0 HG12 ILE A 77 17.660 -33.472 16.467 1.00 61.14 H new ATOM 0 HG13 ILE A 77 17.944 -31.744 16.521 1.00 61.14 H new ATOM 0 HG21 ILE A 77 19.969 -33.856 15.681 1.00 44.33 H new ATOM 0 HG22 ILE A 77 20.561 -33.059 14.204 1.00 44.33 H new ATOM 0 HG23 ILE A 77 20.304 -32.108 15.686 1.00 44.33 H new ATOM 0 HD11 ILE A 77 15.550 -32.237 16.450 1.00 2.10 H new ATOM 0 HD12 ILE A 77 16.053 -31.372 14.979 1.00 2.10 H new ATOM 0 HD13 ILE A 77 15.765 -33.127 14.924 1.00 2.10 H new ATOM 1253 N GLU A 78 20.189 -29.892 14.587 1.00 30.11 N ATOM 1254 CA GLU A 78 20.762 -28.790 15.351 1.00 0.34 C ATOM 1255 C GLU A 78 20.325 -27.445 14.775 1.00 42.21 C ATOM 1256 O GLU A 78 19.893 -26.556 15.508 1.00 45.21 O ATOM 1257 CB GLU A 78 22.289 -28.882 15.356 1.00 12.10 C ATOM 1258 CG GLU A 78 22.811 -30.309 15.370 1.00 52.02 C ATOM 1259 CD GLU A 78 24.284 -30.388 15.725 1.00 3.31 C ATOM 1260 OE1 GLU A 78 25.111 -29.887 14.934 1.00 44.14 O ATOM 1261 OE2 GLU A 78 24.609 -30.950 16.792 1.00 41.43 O1- ATOM 0 H GLU A 78 20.856 -30.388 13.996 1.00 30.11 H new ATOM 0 HA GLU A 78 20.398 -28.864 16.376 1.00 0.34 H new ATOM 0 HB2 GLU A 78 22.679 -28.370 14.476 1.00 12.10 H new ATOM 0 HB3 GLU A 78 22.674 -28.354 16.229 1.00 12.10 H new ATOM 0 HG2 GLU A 78 22.236 -30.895 16.087 1.00 52.02 H new ATOM 0 HG3 GLU A 78 22.653 -30.760 14.390 1.00 52.02 H new ATOM 1268 N GLU A 79 20.443 -27.306 13.458 1.00 34.12 N ATOM 1269 CA GLU A 79 20.062 -26.070 12.784 1.00 41.22 C ATOM 1270 C GLU A 79 18.603 -25.725 13.066 1.00 73.11 C ATOM 1271 O GLU A 79 18.269 -24.574 13.349 1.00 3.25 O ATOM 1272 CB GLU A 79 20.286 -26.196 11.276 1.00 40.51 C ATOM 1273 CG GLU A 79 19.797 -24.993 10.486 1.00 71.40 C ATOM 1274 CD GLU A 79 19.887 -25.203 8.987 1.00 23.32 C ATOM 1275 OE1 GLU A 79 20.025 -26.369 8.560 1.00 25.22 O ATOM 1276 OE2 GLU A 79 19.820 -24.204 8.242 1.00 73.13 O1- ATOM 0 H GLU A 79 20.799 -28.033 12.837 1.00 34.12 H new ATOM 0 HA GLU A 79 20.689 -25.266 13.171 1.00 41.22 H new ATOM 0 HB2 GLU A 79 21.350 -26.337 11.086 1.00 40.51 H new ATOM 0 HB3 GLU A 79 19.776 -27.089 10.915 1.00 40.51 H new ATOM 0 HG2 GLU A 79 18.763 -24.781 10.758 1.00 71.40 H new ATOM 0 HG3 GLU A 79 20.385 -24.118 10.762 1.00 71.40 H new ATOM 1283 N ALA A 80 17.737 -26.729 12.985 1.00 23.40 N ATOM 1284 CA ALA A 80 16.313 -26.532 13.232 1.00 41.12 C ATOM 1285 C ALA A 80 16.076 -25.900 14.600 1.00 13.05 C ATOM 1286 O ALA A 80 15.210 -25.039 14.752 1.00 13.31 O ATOM 1287 CB ALA A 80 15.571 -27.857 13.124 1.00 63.34 C ATOM 0 H ALA A 80 17.996 -27.687 12.750 1.00 23.40 H new ATOM 0 HA ALA A 80 15.928 -25.850 12.474 1.00 41.12 H new ATOM 0 HB1 ALA A 80 14.509 -27.696 13.311 1.00 63.34 H new ATOM 0 HB2 ALA A 80 15.705 -28.269 12.124 1.00 63.34 H new ATOM 0 HB3 ALA A 80 15.967 -28.557 13.860 1.00 63.34 H new ATOM 1293 N GLN A 81 16.849 -26.334 15.589 1.00 53.33 N ATOM 1294 CA GLN A 81 16.720 -25.811 16.944 1.00 55.10 C ATOM 1295 C GLN A 81 17.160 -24.351 17.008 1.00 65.05 C ATOM 1296 O GLN A 81 16.686 -23.586 17.845 1.00 13.14 O ATOM 1297 CB GLN A 81 17.551 -26.649 17.918 1.00 55.14 C ATOM 1298 CG GLN A 81 17.092 -28.095 18.019 1.00 15.04 C ATOM 1299 CD GLN A 81 18.096 -28.976 18.735 1.00 74.24 C ATOM 1300 OE1 GLN A 81 19.093 -28.492 19.272 1.00 60.45 O ATOM 1301 NE2 GLN A 81 17.840 -30.279 18.746 1.00 12.11 N ATOM 0 H GLN A 81 17.571 -27.046 15.478 1.00 53.33 H new ATOM 0 HA GLN A 81 15.670 -25.868 17.230 1.00 55.10 H new ATOM 0 HB2 GLN A 81 18.594 -26.629 17.604 1.00 55.14 H new ATOM 0 HB3 GLN A 81 17.507 -26.192 18.907 1.00 55.14 H new ATOM 0 HG2 GLN A 81 16.139 -28.134 18.546 1.00 15.04 H new ATOM 0 HG3 GLN A 81 16.918 -28.488 17.017 1.00 15.04 H new ATOM 0 HE21 GLN A 81 17.002 -30.638 18.289 1.00 12.11 H new ATOM 0 HE22 GLN A 81 18.481 -30.921 19.212 1.00 12.11 H new ATOM 1310 N GLY A 82 18.072 -23.974 16.116 1.00 10.33 N ATOM 1311 CA GLY A 82 18.560 -22.608 16.089 1.00 0.41 C ATOM 1312 C GLY A 82 17.438 -21.591 16.036 1.00 3.45 C ATOM 1313 O GLY A 82 17.532 -20.521 16.637 1.00 20.11 O ATOM 0 H GLY A 82 18.481 -24.590 15.413 1.00 10.33 H new ATOM 0 HA2 GLY A 82 19.169 -22.426 16.974 1.00 0.41 H new ATOM 0 HA3 GLY A 82 19.208 -22.474 15.223 1.00 0.41 H new ATOM 1317 N ILE A 83 16.373 -21.924 15.315 1.00 31.40 N ATOM 1318 CA ILE A 83 15.228 -21.031 15.185 1.00 1.12 C ATOM 1319 C ILE A 83 14.025 -21.566 15.955 1.00 73.35 C ATOM 1320 O ILE A 83 13.146 -20.804 16.359 1.00 13.12 O ATOM 1321 CB ILE A 83 14.832 -20.833 13.710 1.00 1.41 C ATOM 1322 CG1 ILE A 83 14.268 -22.133 13.131 1.00 4.34 C ATOM 1323 CG2 ILE A 83 16.030 -20.362 12.899 1.00 22.22 C ATOM 1324 CD1 ILE A 83 13.863 -22.022 11.679 1.00 2.43 C ATOM 0 H ILE A 83 16.279 -22.806 14.812 1.00 31.40 H new ATOM 0 HA ILE A 83 15.528 -20.070 15.604 1.00 1.12 H new ATOM 0 HB ILE A 83 14.058 -20.068 13.657 1.00 1.41 H new ATOM 0 HG12 ILE A 83 15.015 -22.920 13.232 1.00 4.34 H new ATOM 0 HG13 ILE A 83 13.402 -22.438 13.719 1.00 4.34 H new ATOM 0 HG21 ILE A 83 15.734 -20.227 11.859 1.00 22.22 H new ATOM 0 HG22 ILE A 83 16.391 -19.415 13.300 1.00 22.22 H new ATOM 0 HG23 ILE A 83 16.824 -21.107 12.957 1.00 22.22 H new ATOM 0 HD11 ILE A 83 13.473 -22.980 11.336 1.00 2.43 H new ATOM 0 HD12 ILE A 83 13.093 -21.258 11.573 1.00 2.43 H new ATOM 0 HD13 ILE A 83 14.731 -21.748 11.079 1.00 2.43 H new ATOM 1336 N HIS A 84 13.994 -22.879 16.156 1.00 63.03 N ATOM 1337 CA HIS A 84 12.899 -23.515 16.880 1.00 54.51 C ATOM 1338 C HIS A 84 13.322 -24.880 17.414 1.00 12.33 C ATOM 1339 O HIS A 84 13.398 -25.866 16.679 1.00 53.42 O ATOM 1340 CB HIS A 84 11.678 -23.667 15.972 1.00 32.52 C ATOM 1341 CG HIS A 84 10.395 -23.247 16.621 1.00 13.05 C ATOM 1342 ND1 HIS A 84 10.006 -23.680 17.870 1.00 42.33 N ATOM 1343 CD2 HIS A 84 9.409 -22.429 16.184 1.00 40.41 C ATOM 1344 CE1 HIS A 84 8.837 -23.147 18.175 1.00 4.32 C ATOM 1345 NE2 HIS A 84 8.453 -22.382 17.169 1.00 13.00 N ATOM 0 H HIS A 84 14.714 -23.523 15.828 1.00 63.03 H new ATOM 0 HA HIS A 84 12.637 -22.878 17.725 1.00 54.51 H new ATOM 0 HB2 HIS A 84 11.830 -23.075 15.070 1.00 32.52 H new ATOM 0 HB3 HIS A 84 11.594 -24.708 15.660 1.00 32.52 H new ATOM 0 HD2 HIS A 84 9.380 -21.910 15.237 1.00 40.41 H new ATOM 0 HE1 HIS A 84 8.288 -23.309 19.091 1.00 4.32 H new ATOM 0 HE2 HIS A 84 7.587 -21.844 17.130 1.00 13.00 H new ATOM 1353 N PRO A 85 13.606 -24.942 18.724 1.00 51.33 N ATOM 1354 CA PRO A 85 14.027 -26.181 19.385 1.00 21.45 C ATOM 1355 C PRO A 85 12.896 -27.200 19.482 1.00 1.12 C ATOM 1356 O PRO A 85 13.127 -28.369 19.788 1.00 55.23 O ATOM 1357 CB PRO A 85 14.447 -25.713 20.781 1.00 54.51 C ATOM 1358 CG PRO A 85 13.676 -24.459 21.007 1.00 23.33 C ATOM 1359 CD PRO A 85 13.538 -23.808 19.659 1.00 35.21 C ATOM 0 HA PRO A 85 14.819 -26.688 18.834 1.00 21.45 H new ATOM 0 HB2 PRO A 85 14.214 -26.463 21.537 1.00 54.51 H new ATOM 0 HB3 PRO A 85 15.521 -25.532 20.832 1.00 54.51 H new ATOM 0 HG2 PRO A 85 12.698 -24.675 21.438 1.00 23.33 H new ATOM 0 HG3 PRO A 85 14.195 -23.803 21.706 1.00 23.33 H new ATOM 0 HD2 PRO A 85 12.595 -23.268 19.568 1.00 35.21 H new ATOM 0 HD3 PRO A 85 14.336 -23.088 19.477 1.00 35.21 H new ATOM 1367 N GLU A 86 11.674 -26.746 19.220 1.00 11.24 N ATOM 1368 CA GLU A 86 10.508 -27.620 19.280 1.00 2.30 C ATOM 1369 C GLU A 86 10.582 -28.700 18.205 1.00 54.33 C ATOM 1370 O GLU A 86 9.929 -29.738 18.307 1.00 72.01 O ATOM 1371 CB GLU A 86 9.224 -26.805 19.110 1.00 32.11 C ATOM 1372 CG GLU A 86 8.831 -26.581 17.660 1.00 10.02 C ATOM 1373 CD GLU A 86 7.802 -27.582 17.173 1.00 32.22 C ATOM 1374 OE1 GLU A 86 6.773 -27.756 17.857 1.00 51.41 O1- ATOM 1375 OE2 GLU A 86 8.027 -28.191 16.106 1.00 32.50 O ATOM 0 H GLU A 86 11.466 -25.781 18.965 1.00 11.24 H new ATOM 0 HA GLU A 86 10.498 -28.103 20.257 1.00 2.30 H new ATOM 0 HB2 GLU A 86 8.409 -27.316 19.623 1.00 32.11 H new ATOM 0 HB3 GLU A 86 9.351 -25.838 19.597 1.00 32.11 H new ATOM 0 HG2 GLU A 86 8.433 -25.573 17.547 1.00 10.02 H new ATOM 0 HG3 GLU A 86 9.720 -26.645 17.033 1.00 10.02 H new ATOM 1382 N TYR A 87 11.383 -28.449 17.175 1.00 13.33 N ATOM 1383 CA TYR A 87 11.542 -29.398 16.080 1.00 62.40 C ATOM 1384 C TYR A 87 12.136 -30.711 16.579 1.00 30.01 C ATOM 1385 O TYR A 87 12.570 -30.812 17.725 1.00 64.21 O ATOM 1386 CB TYR A 87 12.432 -28.804 14.987 1.00 41.24 C ATOM 1387 CG TYR A 87 11.739 -27.758 14.143 1.00 51.15 C ATOM 1388 CD1 TYR A 87 10.519 -28.026 13.532 1.00 4.14 C ATOM 1389 CD2 TYR A 87 12.303 -26.502 13.954 1.00 24.43 C ATOM 1390 CE1 TYR A 87 9.883 -27.074 12.760 1.00 10.23 C ATOM 1391 CE2 TYR A 87 11.673 -25.544 13.185 1.00 41.22 C ATOM 1392 CZ TYR A 87 10.463 -25.835 12.590 1.00 73.33 C ATOM 1393 OH TYR A 87 9.833 -24.883 11.820 1.00 33.41 O ATOM 0 H TYR A 87 11.933 -27.595 17.076 1.00 13.33 H new ATOM 0 HA TYR A 87 10.555 -29.602 15.664 1.00 62.40 H new ATOM 0 HB2 TYR A 87 13.313 -28.360 15.450 1.00 41.24 H new ATOM 0 HB3 TYR A 87 12.783 -29.607 14.339 1.00 41.24 H new ATOM 0 HD1 TYR A 87 10.061 -28.995 13.663 1.00 4.14 H new ATOM 0 HD2 TYR A 87 13.251 -26.271 14.417 1.00 24.43 H new ATOM 0 HE1 TYR A 87 8.936 -27.299 12.292 1.00 10.23 H new ATOM 0 HE2 TYR A 87 12.125 -24.572 13.050 1.00 41.22 H new ATOM 0 HH TYR A 87 10.060 -23.990 12.153 1.00 33.41 H new ATOM 1403 N MET A 88 12.154 -31.714 15.706 1.00 30.33 N ATOM 1404 CA MET A 88 12.696 -33.021 16.057 1.00 15.53 C ATOM 1405 C MET A 88 12.936 -33.863 14.808 1.00 10.42 C ATOM 1406 O MET A 88 12.256 -33.696 13.795 1.00 24.25 O ATOM 1407 CB MET A 88 11.747 -33.754 17.006 1.00 14.22 C ATOM 1408 CG MET A 88 12.277 -35.099 17.476 1.00 4.24 C ATOM 1409 SD MET A 88 13.815 -34.954 18.405 1.00 21.05 S ATOM 1410 CE MET A 88 13.330 -33.799 19.685 1.00 34.51 C ATOM 0 H MET A 88 11.800 -31.646 14.752 1.00 30.33 H new ATOM 0 HA MET A 88 13.651 -32.867 16.559 1.00 15.53 H new ATOM 0 HB2 MET A 88 11.557 -33.124 17.875 1.00 14.22 H new ATOM 0 HB3 MET A 88 10.790 -33.904 16.506 1.00 14.22 H new ATOM 0 HG2 MET A 88 11.525 -35.584 18.099 1.00 4.24 H new ATOM 0 HG3 MET A 88 12.439 -35.743 16.612 1.00 4.24 H new ATOM 0 HE1 MET A 88 14.022 -33.873 20.524 1.00 34.51 H new ATOM 0 HE2 MET A 88 13.350 -32.785 19.287 1.00 34.51 H new ATOM 0 HE3 MET A 88 12.322 -34.035 20.025 1.00 34.51 H new ATOM 1420 N VAL A 89 13.907 -34.768 14.885 1.00 2.14 N ATOM 1421 CA VAL A 89 14.235 -35.636 13.762 1.00 32.25 C ATOM 1422 C VAL A 89 12.990 -36.332 13.223 1.00 31.51 C ATOM 1423 O VAL A 89 12.308 -37.056 13.947 1.00 22.02 O ATOM 1424 CB VAL A 89 15.273 -36.701 14.159 1.00 43.25 C ATOM 1425 CG1 VAL A 89 15.599 -37.599 12.975 1.00 5.33 C ATOM 1426 CG2 VAL A 89 16.532 -36.041 14.702 1.00 64.13 C ATOM 0 H VAL A 89 14.480 -34.918 15.715 1.00 2.14 H new ATOM 0 HA VAL A 89 14.658 -35.000 12.984 1.00 32.25 H new ATOM 0 HB VAL A 89 14.847 -37.322 14.947 1.00 43.25 H new ATOM 0 HG11 VAL A 89 16.334 -38.345 13.276 1.00 5.33 H new ATOM 0 HG12 VAL A 89 14.692 -38.100 12.637 1.00 5.33 H new ATOM 0 HG13 VAL A 89 16.005 -36.997 12.162 1.00 5.33 H new ATOM 0 HG21 VAL A 89 17.255 -36.809 14.978 1.00 64.13 H new ATOM 0 HG22 VAL A 89 16.963 -35.395 13.937 1.00 64.13 H new ATOM 0 HG23 VAL A 89 16.281 -35.446 15.580 1.00 64.13 H new ATOM 1436 N GLY A 90 12.699 -36.107 11.945 1.00 61.31 N ATOM 1437 CA GLY A 90 11.536 -36.720 11.331 1.00 5.34 C ATOM 1438 C GLY A 90 10.471 -35.706 10.965 1.00 73.20 C ATOM 1439 O GLY A 90 9.578 -35.993 10.167 1.00 73.05 O ATOM 0 H GLY A 90 13.248 -35.512 11.325 1.00 61.31 H new ATOM 0 HA2 GLY A 90 11.844 -37.259 10.435 1.00 5.34 H new ATOM 0 HA3 GLY A 90 11.113 -37.455 12.015 1.00 5.34 H new ATOM 1443 N ASP A 91 10.563 -34.516 11.550 1.00 14.12 N ATOM 1444 CA ASP A 91 9.599 -33.455 11.281 1.00 22.15 C ATOM 1445 C ASP A 91 10.062 -32.582 10.118 1.00 32.31 C ATOM 1446 O ASP A 91 11.017 -32.918 9.419 1.00 53.31 O ATOM 1447 CB ASP A 91 9.395 -32.595 12.530 1.00 12.13 C ATOM 1448 CG ASP A 91 7.944 -32.207 12.734 1.00 44.21 C ATOM 1449 OD1 ASP A 91 7.083 -33.113 12.735 1.00 10.52 O1- ATOM 1450 OD2 ASP A 91 7.669 -31.000 12.892 1.00 3.14 O ATOM 0 H ASP A 91 11.295 -34.262 12.213 1.00 14.12 H new ATOM 0 HA ASP A 91 8.651 -33.919 11.009 1.00 22.15 H new ATOM 0 HB2 ASP A 91 9.749 -33.140 13.405 1.00 12.13 H new ATOM 0 HB3 ASP A 91 10.002 -31.693 12.450 1.00 12.13 H new ATOM 1455 N VAL A 92 9.375 -31.463 9.916 1.00 31.51 N ATOM 1456 CA VAL A 92 9.715 -30.542 8.837 1.00 42.33 C ATOM 1457 C VAL A 92 9.819 -29.110 9.349 1.00 75.52 C ATOM 1458 O VAL A 92 9.126 -28.724 10.290 1.00 53.31 O ATOM 1459 CB VAL A 92 8.672 -30.596 7.705 1.00 41.12 C ATOM 1460 CG1 VAL A 92 8.837 -31.866 6.885 1.00 55.14 C ATOM 1461 CG2 VAL A 92 7.263 -30.498 8.272 1.00 61.45 C ATOM 0 H VAL A 92 8.580 -31.172 10.485 1.00 31.51 H new ATOM 0 HA VAL A 92 10.683 -30.856 8.446 1.00 42.33 H new ATOM 0 HB VAL A 92 8.834 -29.743 7.046 1.00 41.12 H new ATOM 0 HG11 VAL A 92 8.091 -31.886 6.090 1.00 55.14 H new ATOM 0 HG12 VAL A 92 9.835 -31.889 6.447 1.00 55.14 H new ATOM 0 HG13 VAL A 92 8.704 -32.735 7.529 1.00 55.14 H new ATOM 0 HG21 VAL A 92 6.540 -30.538 7.458 1.00 61.45 H new ATOM 0 HG22 VAL A 92 7.087 -31.329 8.955 1.00 61.45 H new ATOM 0 HG23 VAL A 92 7.152 -29.557 8.810 1.00 61.45 H new ATOM 1471 N VAL A 93 10.691 -28.326 8.724 1.00 53.22 N ATOM 1472 CA VAL A 93 10.887 -26.935 9.115 1.00 1.40 C ATOM 1473 C VAL A 93 10.747 -26.003 7.917 1.00 13.54 C ATOM 1474 O VAL A 93 11.150 -26.341 6.805 1.00 42.32 O ATOM 1475 CB VAL A 93 12.270 -26.722 9.758 1.00 33.33 C ATOM 1476 CG1 VAL A 93 13.371 -27.222 8.836 1.00 2.00 C ATOM 1477 CG2 VAL A 93 12.476 -25.255 10.103 1.00 1.50 C ATOM 0 H VAL A 93 11.274 -28.631 7.944 1.00 53.22 H new ATOM 0 HA VAL A 93 10.114 -26.700 9.847 1.00 1.40 H new ATOM 0 HB VAL A 93 12.315 -27.299 10.682 1.00 33.33 H new ATOM 0 HG11 VAL A 93 14.341 -27.063 9.308 1.00 2.00 H new ATOM 0 HG12 VAL A 93 13.230 -28.286 8.645 1.00 2.00 H new ATOM 0 HG13 VAL A 93 13.332 -26.676 7.893 1.00 2.00 H new ATOM 0 HG21 VAL A 93 13.458 -25.122 10.556 1.00 1.50 H new ATOM 0 HG22 VAL A 93 12.411 -24.655 9.195 1.00 1.50 H new ATOM 0 HG23 VAL A 93 11.706 -24.935 10.805 1.00 1.50 H new ATOM 1487 N GLU A 94 10.173 -24.827 8.153 1.00 63.33 N ATOM 1488 CA GLU A 94 9.979 -23.846 7.092 1.00 13.04 C ATOM 1489 C GLU A 94 10.849 -22.613 7.326 1.00 14.14 C ATOM 1490 O GLU A 94 10.564 -21.796 8.201 1.00 22.33 O ATOM 1491 CB GLU A 94 8.508 -23.435 7.008 1.00 72.23 C ATOM 1492 CG GLU A 94 7.705 -24.250 6.008 1.00 51.42 C ATOM 1493 CD GLU A 94 6.231 -24.315 6.358 1.00 45.35 C ATOM 1494 OE1 GLU A 94 5.885 -25.014 7.333 1.00 3.23 O ATOM 1495 OE2 GLU A 94 5.425 -23.670 5.657 1.00 11.44 O1- ATOM 0 H GLU A 94 9.835 -24.531 9.069 1.00 63.33 H new ATOM 0 HA GLU A 94 10.274 -24.306 6.149 1.00 13.04 H new ATOM 0 HB2 GLU A 94 8.054 -23.536 7.994 1.00 72.23 H new ATOM 0 HB3 GLU A 94 8.449 -22.381 6.736 1.00 72.23 H new ATOM 0 HG2 GLU A 94 7.820 -23.815 5.015 1.00 51.42 H new ATOM 0 HG3 GLU A 94 8.109 -25.261 5.962 1.00 51.42 H new ATOM 1502 N ILE A 95 11.912 -22.488 6.537 1.00 43.41 N ATOM 1503 CA ILE A 95 12.824 -21.357 6.657 1.00 24.11 C ATOM 1504 C ILE A 95 12.612 -20.358 5.525 1.00 51.42 C ATOM 1505 O ILE A 95 12.329 -20.742 4.391 1.00 43.44 O ATOM 1506 CB ILE A 95 14.294 -21.816 6.655 1.00 24.30 C ATOM 1507 CG1 ILE A 95 14.492 -22.973 7.635 1.00 21.22 C ATOM 1508 CG2 ILE A 95 15.211 -20.654 7.005 1.00 24.14 C ATOM 1509 CD1 ILE A 95 14.295 -24.336 7.010 1.00 4.40 C ATOM 0 H ILE A 95 12.162 -23.156 5.808 1.00 43.41 H new ATOM 0 HA ILE A 95 12.605 -20.874 7.609 1.00 24.11 H new ATOM 0 HB ILE A 95 14.549 -22.166 5.655 1.00 24.30 H new ATOM 0 HG12 ILE A 95 15.497 -22.916 8.053 1.00 21.22 H new ATOM 0 HG13 ILE A 95 13.795 -22.859 8.465 1.00 21.22 H new ATOM 0 HG21 ILE A 95 16.247 -20.994 7.000 1.00 24.14 H new ATOM 0 HG22 ILE A 95 15.086 -19.858 6.271 1.00 24.14 H new ATOM 0 HG23 ILE A 95 14.958 -20.276 7.996 1.00 24.14 H new ATOM 0 HD11 ILE A 95 14.451 -25.108 7.764 1.00 4.40 H new ATOM 0 HD12 ILE A 95 13.281 -24.413 6.617 1.00 4.40 H new ATOM 0 HD13 ILE A 95 15.010 -24.471 6.199 1.00 4.40 H new ATOM 1521 N GLU A 96 12.753 -19.074 5.842 1.00 15.41 N ATOM 1522 CA GLU A 96 12.578 -18.020 4.849 1.00 4.20 C ATOM 1523 C GLU A 96 13.495 -18.244 3.650 1.00 3.25 C ATOM 1524 O GLU A 96 14.716 -18.304 3.793 1.00 21.32 O ATOM 1525 CB GLU A 96 12.859 -16.652 5.472 1.00 33.11 C ATOM 1526 CG GLU A 96 14.138 -16.607 6.291 1.00 44.11 C ATOM 1527 CD GLU A 96 14.549 -15.193 6.654 1.00 24.12 C ATOM 1528 OE1 GLU A 96 14.950 -14.439 5.742 1.00 23.44 O1- ATOM 1529 OE2 GLU A 96 14.470 -14.840 7.849 1.00 64.34 O ATOM 0 H GLU A 96 12.987 -18.739 6.777 1.00 15.41 H new ATOM 0 HA GLU A 96 11.545 -18.049 4.503 1.00 4.20 H new ATOM 0 HB2 GLU A 96 12.919 -15.907 4.679 1.00 33.11 H new ATOM 0 HB3 GLU A 96 12.020 -16.373 6.109 1.00 33.11 H new ATOM 0 HG2 GLU A 96 14.001 -17.187 7.204 1.00 44.11 H new ATOM 0 HG3 GLU A 96 14.942 -17.082 5.729 1.00 44.11 H new ATOM 1536 N VAL A 97 12.897 -18.367 2.470 1.00 52.41 N ATOM 1537 CA VAL A 97 13.659 -18.583 1.246 1.00 41.24 C ATOM 1538 C VAL A 97 13.196 -17.643 0.138 1.00 64.02 C ATOM 1539 O VAL A 97 13.511 -17.846 -1.036 1.00 40.42 O ATOM 1540 CB VAL A 97 13.533 -20.037 0.756 1.00 14.31 C ATOM 1541 CG1 VAL A 97 12.172 -20.272 0.121 1.00 41.13 C ATOM 1542 CG2 VAL A 97 14.651 -20.368 -0.222 1.00 14.33 C ATOM 0 H VAL A 97 11.887 -18.321 2.335 1.00 52.41 H new ATOM 0 HA VAL A 97 14.703 -18.376 1.482 1.00 41.24 H new ATOM 0 HB VAL A 97 13.624 -20.700 1.616 1.00 14.31 H new ATOM 0 HG11 VAL A 97 12.103 -21.305 -0.219 1.00 41.13 H new ATOM 0 HG12 VAL A 97 11.390 -20.078 0.855 1.00 41.13 H new ATOM 0 HG13 VAL A 97 12.046 -19.601 -0.729 1.00 41.13 H new ATOM 0 HG21 VAL A 97 14.547 -21.400 -0.558 1.00 14.33 H new ATOM 0 HG22 VAL A 97 14.593 -19.699 -1.080 1.00 14.33 H new ATOM 0 HG23 VAL A 97 15.615 -20.243 0.271 1.00 14.33 H new ATOM 1552 N THR A 98 12.448 -16.612 0.517 1.00 74.11 N ATOM 1553 CA THR A 98 11.942 -15.641 -0.444 1.00 21.42 C ATOM 1554 C THR A 98 12.997 -14.593 -0.775 1.00 23.55 C ATOM 1555 O THR A 98 13.733 -14.122 0.093 1.00 72.05 O ATOM 1556 CB THR A 98 10.679 -14.933 0.085 1.00 64.13 C ATOM 1557 OG1 THR A 98 10.074 -14.164 -0.961 1.00 65.23 O ATOM 1558 CG2 THR A 98 11.020 -14.025 1.257 1.00 33.24 C ATOM 0 H THR A 98 12.179 -16.428 1.484 1.00 74.11 H new ATOM 0 HA THR A 98 11.688 -16.194 -1.348 1.00 21.42 H new ATOM 0 HB THR A 98 9.978 -15.694 0.427 1.00 64.13 H new ATOM 0 HG1 THR A 98 9.271 -13.719 -0.617 1.00 65.23 H new ATOM 0 HG21 THR A 98 10.114 -13.536 1.614 1.00 33.24 H new ATOM 0 HG22 THR A 98 11.454 -14.618 2.062 1.00 33.24 H new ATOM 0 HG23 THR A 98 11.737 -13.270 0.936 1.00 33.24 H new ATOM 1566 N PRO A 99 13.075 -14.215 -2.059 1.00 61.42 N ATOM 1567 CA PRO A 99 14.038 -13.217 -2.535 1.00 22.35 C ATOM 1568 C PRO A 99 13.708 -11.812 -2.040 1.00 21.13 C ATOM 1569 O PRO A 99 12.566 -11.522 -1.681 1.00 4.33 O ATOM 1570 CB PRO A 99 13.906 -13.292 -4.058 1.00 33.45 C ATOM 1571 CG PRO A 99 12.528 -13.806 -4.293 1.00 23.31 C ATOM 1572 CD PRO A 99 12.231 -14.734 -3.148 1.00 75.43 C ATOM 0 HA PRO A 99 15.046 -13.418 -2.172 1.00 22.35 H new ATOM 0 HB2 PRO A 99 14.047 -12.313 -4.516 1.00 33.45 H new ATOM 0 HB3 PRO A 99 14.655 -13.956 -4.488 1.00 33.45 H new ATOM 0 HG2 PRO A 99 11.808 -12.989 -4.330 1.00 23.31 H new ATOM 0 HG3 PRO A 99 12.464 -14.330 -5.247 1.00 23.31 H new ATOM 0 HD2 PRO A 99 11.174 -14.716 -2.880 1.00 75.43 H new ATOM 0 HD3 PRO A 99 12.481 -15.766 -3.393 1.00 75.43 H new ATOM 1580 N LYS A 100 14.713 -10.944 -2.025 1.00 1.34 N ATOM 1581 CA LYS A 100 14.530 -9.569 -1.577 1.00 31.23 C ATOM 1582 C LYS A 100 13.809 -8.742 -2.638 1.00 11.53 C ATOM 1583 O LYS A 100 13.468 -7.581 -2.408 1.00 43.02 O ATOM 1584 CB LYS A 100 15.882 -8.932 -1.251 1.00 14.02 C ATOM 1585 CG LYS A 100 16.383 -9.250 0.146 1.00 13.24 C ATOM 1586 CD LYS A 100 15.649 -8.438 1.201 1.00 51.30 C ATOM 1587 CE LYS A 100 16.281 -7.068 1.390 1.00 60.13 C ATOM 1588 NZ LYS A 100 15.736 -6.366 2.584 1.00 62.04 N1+ ATOM 0 H LYS A 100 15.664 -11.169 -2.318 1.00 1.34 H new ATOM 0 HA LYS A 100 13.917 -9.586 -0.676 1.00 31.23 H new ATOM 0 HB2 LYS A 100 16.619 -9.272 -1.978 1.00 14.02 H new ATOM 0 HB3 LYS A 100 15.801 -7.851 -1.361 1.00 14.02 H new ATOM 0 HG2 LYS A 100 16.251 -10.313 0.347 1.00 13.24 H new ATOM 0 HG3 LYS A 100 17.452 -9.044 0.206 1.00 13.24 H new ATOM 0 HD2 LYS A 100 14.605 -8.321 0.910 1.00 51.30 H new ATOM 0 HD3 LYS A 100 15.658 -8.978 2.148 1.00 51.30 H new ATOM 0 HE2 LYS A 100 17.360 -7.177 1.494 1.00 60.13 H new ATOM 0 HE3 LYS A 100 16.106 -6.462 0.501 1.00 60.13 H new ATOM 0 HZ1 LYS A 100 16.192 -5.436 2.678 1.00 62.04 H new ATOM 0 HZ2 LYS A 100 14.710 -6.239 2.474 1.00 62.04 H new ATOM 0 HZ3 LYS A 100 15.925 -6.932 3.436 1.00 62.04 H new ATOM 1602 N ASP A 101 13.581 -9.347 -3.798 1.00 23.32 N ATOM 1603 CA ASP A 101 12.897 -8.668 -4.893 1.00 41.13 C ATOM 1604 C ASP A 101 11.491 -9.227 -5.087 1.00 43.12 C ATOM 1605 O ASP A 101 10.795 -8.868 -6.037 1.00 15.43 O ATOM 1606 CB ASP A 101 13.700 -8.809 -6.188 1.00 64.01 C ATOM 1607 CG ASP A 101 13.434 -7.676 -7.160 1.00 62.02 C ATOM 1608 OD1 ASP A 101 12.578 -6.820 -6.854 1.00 24.30 O1- ATOM 1609 OD2 ASP A 101 14.082 -7.646 -8.227 1.00 12.30 O ATOM 0 H ASP A 101 13.860 -10.306 -4.005 1.00 23.32 H new ATOM 0 HA ASP A 101 12.815 -7.611 -4.638 1.00 41.13 H new ATOM 0 HB2 ASP A 101 14.764 -8.839 -5.951 1.00 64.01 H new ATOM 0 HB3 ASP A 101 13.453 -9.758 -6.664 1.00 64.01 H new ATOM 1614 N PHE A 102 11.081 -10.109 -4.182 1.00 61.52 N ATOM 1615 CA PHE A 102 9.759 -10.719 -4.255 1.00 41.25 C ATOM 1616 C PHE A 102 8.668 -9.690 -3.974 1.00 61.03 C ATOM 1617 O PHE A 102 7.508 -9.882 -4.336 1.00 73.03 O ATOM 1618 CB PHE A 102 9.652 -11.876 -3.259 1.00 42.23 C ATOM 1619 CG PHE A 102 8.990 -13.098 -3.828 1.00 43.43 C ATOM 1620 CD1 PHE A 102 9.434 -13.652 -5.019 1.00 34.02 C ATOM 1621 CD2 PHE A 102 7.923 -13.693 -3.174 1.00 61.34 C ATOM 1622 CE1 PHE A 102 8.827 -14.777 -5.544 1.00 50.23 C ATOM 1623 CE2 PHE A 102 7.314 -14.818 -3.695 1.00 54.01 C ATOM 1624 CZ PHE A 102 7.765 -15.360 -4.883 1.00 15.23 C ATOM 0 H PHE A 102 11.645 -10.417 -3.390 1.00 61.52 H new ATOM 0 HA PHE A 102 9.620 -11.104 -5.265 1.00 41.25 H new ATOM 0 HB2 PHE A 102 10.651 -12.141 -2.914 1.00 42.23 H new ATOM 0 HB3 PHE A 102 9.091 -11.542 -2.386 1.00 42.23 H new ATOM 0 HD1 PHE A 102 10.263 -13.199 -5.542 1.00 34.02 H new ATOM 0 HD2 PHE A 102 7.564 -13.272 -2.246 1.00 61.34 H new ATOM 0 HE1 PHE A 102 9.184 -15.200 -6.472 1.00 50.23 H new ATOM 0 HE2 PHE A 102 6.485 -15.274 -3.174 1.00 54.01 H new ATOM 0 HZ PHE A 102 7.288 -16.238 -5.293 1.00 15.23 H new ATOM 1634 N GLY A 103 9.049 -8.594 -3.324 1.00 33.20 N ATOM 1635 CA GLY A 103 8.093 -7.551 -3.004 1.00 14.33 C ATOM 1636 C GLY A 103 7.292 -7.108 -4.212 1.00 14.11 C ATOM 1637 O GLY A 103 6.063 -7.064 -4.168 1.00 52.21 O ATOM 0 H GLY A 103 10.003 -8.410 -3.014 1.00 33.20 H new ATOM 0 HA2 GLY A 103 7.412 -7.911 -2.233 1.00 14.33 H new ATOM 0 HA3 GLY A 103 8.621 -6.693 -2.588 1.00 14.33 H new ATOM 1641 N ARG A 104 7.990 -6.778 -5.294 1.00 11.41 N ATOM 1642 CA ARG A 104 7.336 -6.334 -6.519 1.00 21.11 C ATOM 1643 C ARG A 104 6.775 -7.521 -7.297 1.00 54.21 C ATOM 1644 O ARG A 104 5.667 -7.458 -7.830 1.00 35.02 O ATOM 1645 CB ARG A 104 8.320 -5.555 -7.394 1.00 50.22 C ATOM 1646 CG ARG A 104 9.552 -6.355 -7.785 1.00 72.45 C ATOM 1647 CD ARG A 104 10.546 -5.504 -8.558 1.00 22.14 C ATOM 1648 NE ARG A 104 11.470 -6.318 -9.345 1.00 50.51 N ATOM 1649 CZ ARG A 104 11.124 -6.951 -10.460 1.00 32.33 C ATOM 1650 NH1 ARG A 104 9.883 -6.862 -10.920 1.00 65.42 N1+ ATOM 1651 NH2 ARG A 104 12.021 -7.673 -11.120 1.00 63.54 N ATOM 0 H ARG A 104 9.008 -6.810 -5.347 1.00 11.41 H new ATOM 0 HA ARG A 104 6.509 -5.680 -6.243 1.00 21.11 H new ATOM 0 HB2 ARG A 104 7.808 -5.227 -8.299 1.00 50.22 H new ATOM 0 HB3 ARG A 104 8.634 -4.657 -6.862 1.00 50.22 H new ATOM 0 HG2 ARG A 104 10.030 -6.751 -6.889 1.00 72.45 H new ATOM 0 HG3 ARG A 104 9.254 -7.210 -8.392 1.00 72.45 H new ATOM 0 HD2 ARG A 104 10.006 -4.827 -9.220 1.00 22.14 H new ATOM 0 HD3 ARG A 104 11.112 -4.885 -7.862 1.00 22.14 H new ATOM 0 HE ARG A 104 12.433 -6.405 -9.020 1.00 50.51 H new ATOM 0 HH11 ARG A 104 9.191 -6.306 -10.417 1.00 65.42 H new ATOM 0 HH12 ARG A 104 9.620 -7.349 -11.777 1.00 65.42 H new ATOM 0 HH21 ARG A 104 12.977 -7.742 -10.771 1.00 63.54 H new ATOM 0 HH22 ARG A 104 11.754 -8.159 -11.976 1.00 63.54 H new ATOM 1665 N ILE A 105 7.548 -8.600 -7.359 1.00 74.15 N ATOM 1666 CA ILE A 105 7.128 -9.800 -8.071 1.00 51.42 C ATOM 1667 C ILE A 105 5.768 -10.282 -7.580 1.00 31.22 C ATOM 1668 O ILE A 105 4.950 -10.767 -8.362 1.00 32.23 O ATOM 1669 CB ILE A 105 8.153 -10.938 -7.909 1.00 41.53 C ATOM 1670 CG1 ILE A 105 9.522 -10.500 -8.435 1.00 71.02 C ATOM 1671 CG2 ILE A 105 7.676 -12.187 -8.636 1.00 4.21 C ATOM 1672 CD1 ILE A 105 10.641 -11.450 -8.074 1.00 51.01 C ATOM 0 H ILE A 105 8.468 -8.668 -6.925 1.00 74.15 H new ATOM 0 HA ILE A 105 7.057 -9.533 -9.126 1.00 51.42 H new ATOM 0 HB ILE A 105 8.250 -11.172 -6.849 1.00 41.53 H new ATOM 0 HG12 ILE A 105 9.472 -10.406 -9.520 1.00 71.02 H new ATOM 0 HG13 ILE A 105 9.754 -9.511 -8.040 1.00 71.02 H new ATOM 0 HG21 ILE A 105 8.411 -12.983 -8.513 1.00 4.21 H new ATOM 0 HG22 ILE A 105 6.721 -12.507 -8.220 1.00 4.21 H new ATOM 0 HG23 ILE A 105 7.555 -11.967 -9.697 1.00 4.21 H new ATOM 0 HD11 ILE A 105 11.581 -11.076 -8.480 1.00 51.01 H new ATOM 0 HD12 ILE A 105 10.718 -11.526 -6.989 1.00 51.01 H new ATOM 0 HD13 ILE A 105 10.432 -12.434 -8.492 1.00 51.01 H new ATOM 1684 N ALA A 106 5.532 -10.145 -6.279 1.00 52.13 N ATOM 1685 CA ALA A 106 4.268 -10.564 -5.684 1.00 0.32 C ATOM 1686 C ALA A 106 3.086 -9.912 -6.391 1.00 11.13 C ATOM 1687 O ALA A 106 2.096 -10.573 -6.704 1.00 42.22 O ATOM 1688 CB ALA A 106 4.248 -10.231 -4.200 1.00 60.32 C ATOM 0 H ALA A 106 6.199 -9.748 -5.617 1.00 52.13 H new ATOM 0 HA ALA A 106 4.178 -11.644 -5.804 1.00 0.32 H new ATOM 0 HB1 ALA A 106 3.299 -10.549 -3.768 1.00 60.32 H new ATOM 0 HB2 ALA A 106 5.066 -10.749 -3.700 1.00 60.32 H new ATOM 0 HB3 ALA A 106 4.365 -9.155 -4.067 1.00 60.32 H new ATOM 1694 N ALA A 107 3.195 -8.611 -6.639 1.00 54.24 N ATOM 1695 CA ALA A 107 2.133 -7.870 -7.311 1.00 40.42 C ATOM 1696 C ALA A 107 2.088 -8.203 -8.798 1.00 61.51 C ATOM 1697 O ALA A 107 1.014 -8.391 -9.368 1.00 62.23 O ATOM 1698 CB ALA A 107 2.326 -6.374 -7.108 1.00 41.43 C ATOM 0 H ALA A 107 4.007 -8.048 -6.385 1.00 54.24 H new ATOM 0 HA ALA A 107 1.181 -8.166 -6.871 1.00 40.42 H new ATOM 0 HB1 ALA A 107 1.527 -5.832 -7.614 1.00 41.43 H new ATOM 0 HB2 ALA A 107 2.301 -6.145 -6.043 1.00 41.43 H new ATOM 0 HB3 ALA A 107 3.288 -6.072 -7.522 1.00 41.43 H new ATOM 1704 N GLN A 108 3.261 -8.274 -9.420 1.00 63.24 N ATOM 1705 CA GLN A 108 3.353 -8.583 -10.842 1.00 24.31 C ATOM 1706 C GLN A 108 2.770 -9.961 -11.139 1.00 33.31 C ATOM 1707 O GLN A 108 2.232 -10.201 -12.220 1.00 5.33 O ATOM 1708 CB GLN A 108 4.809 -8.521 -11.306 1.00 74.24 C ATOM 1709 CG GLN A 108 5.013 -8.999 -12.734 1.00 10.13 C ATOM 1710 CD GLN A 108 6.468 -8.961 -13.160 1.00 34.33 C ATOM 1711 OE1 GLN A 108 7.366 -9.257 -12.372 1.00 30.11 O ATOM 1712 NE2 GLN A 108 6.709 -8.594 -14.414 1.00 30.20 N ATOM 0 H GLN A 108 4.160 -8.122 -8.962 1.00 63.24 H new ATOM 0 HA GLN A 108 2.773 -7.839 -11.388 1.00 24.31 H new ATOM 0 HB2 GLN A 108 5.165 -7.494 -11.221 1.00 74.24 H new ATOM 0 HB3 GLN A 108 5.421 -9.127 -10.638 1.00 74.24 H new ATOM 0 HG2 GLN A 108 4.637 -10.018 -12.829 1.00 10.13 H new ATOM 0 HG3 GLN A 108 4.424 -8.377 -13.409 1.00 10.13 H new ATOM 0 HE21 GLN A 108 5.934 -8.357 -15.034 1.00 30.20 H new ATOM 0 HE22 GLN A 108 7.669 -8.549 -14.757 1.00 30.20 H new ATOM 1721 N THR A 109 2.879 -10.866 -10.171 1.00 14.35 N ATOM 1722 CA THR A 109 2.366 -12.220 -10.328 1.00 1.22 C ATOM 1723 C THR A 109 0.883 -12.290 -9.975 1.00 5.53 C ATOM 1724 O THR A 109 0.135 -13.074 -10.555 1.00 22.25 O ATOM 1725 CB THR A 109 3.139 -13.220 -9.449 1.00 63.33 C ATOM 1726 OG1 THR A 109 4.548 -13.015 -9.595 1.00 62.10 O ATOM 1727 CG2 THR A 109 2.789 -14.653 -9.822 1.00 43.12 C ATOM 0 H THR A 109 3.319 -10.684 -9.269 1.00 14.35 H new ATOM 0 HA THR A 109 2.501 -12.490 -11.375 1.00 1.22 H new ATOM 0 HB THR A 109 2.854 -13.051 -8.411 1.00 63.33 H new ATOM 0 HG1 THR A 109 4.804 -12.176 -9.157 1.00 62.10 H new ATOM 0 HG21 THR A 109 3.348 -15.341 -9.187 1.00 43.12 H new ATOM 0 HG22 THR A 109 1.720 -14.815 -9.681 1.00 43.12 H new ATOM 0 HG23 THR A 109 3.048 -14.831 -10.866 1.00 43.12 H new ATOM 1735 N ALA A 110 0.468 -11.464 -9.021 1.00 1.34 N ATOM 1736 CA ALA A 110 -0.925 -11.431 -8.593 1.00 65.20 C ATOM 1737 C ALA A 110 -1.801 -10.736 -9.629 1.00 34.15 C ATOM 1738 O ALA A 110 -2.921 -11.169 -9.901 1.00 63.40 O ATOM 1739 CB ALA A 110 -1.047 -10.735 -7.245 1.00 42.13 C ATOM 0 H ALA A 110 1.076 -10.809 -8.530 1.00 1.34 H new ATOM 0 HA ALA A 110 -1.272 -12.459 -8.492 1.00 65.20 H new ATOM 0 HB1 ALA A 110 -2.093 -10.718 -6.938 1.00 42.13 H new ATOM 0 HB2 ALA A 110 -0.460 -11.275 -6.502 1.00 42.13 H new ATOM 0 HB3 ALA A 110 -0.676 -9.713 -7.328 1.00 42.13 H new ATOM 1745 N LYS A 111 -1.285 -9.656 -10.206 1.00 4.43 N ATOM 1746 CA LYS A 111 -2.020 -8.900 -11.214 1.00 13.33 C ATOM 1747 C LYS A 111 -2.248 -9.741 -12.465 1.00 33.32 C ATOM 1748 O LYS A 111 -3.324 -9.704 -13.060 1.00 3.05 O ATOM 1749 CB LYS A 111 -1.260 -7.622 -11.576 1.00 20.42 C ATOM 1750 CG LYS A 111 0.152 -7.875 -12.074 1.00 74.20 C ATOM 1751 CD LYS A 111 0.240 -7.770 -13.586 1.00 34.11 C ATOM 1752 CE LYS A 111 1.649 -8.048 -14.085 1.00 74.34 C ATOM 1753 NZ LYS A 111 1.925 -7.365 -15.380 1.00 63.44 N1+ ATOM 0 H LYS A 111 -0.360 -9.284 -9.993 1.00 4.43 H new ATOM 0 HA LYS A 111 -2.991 -8.632 -10.796 1.00 13.33 H new ATOM 0 HB2 LYS A 111 -1.816 -7.084 -12.344 1.00 20.42 H new ATOM 0 HB3 LYS A 111 -1.217 -6.974 -10.700 1.00 20.42 H new ATOM 0 HG2 LYS A 111 0.833 -7.156 -11.619 1.00 74.20 H new ATOM 0 HG3 LYS A 111 0.477 -8.866 -11.758 1.00 74.20 H new ATOM 0 HD2 LYS A 111 -0.454 -8.477 -14.041 1.00 34.11 H new ATOM 0 HD3 LYS A 111 -0.068 -6.773 -13.901 1.00 34.11 H new ATOM 0 HE2 LYS A 111 2.371 -7.716 -13.339 1.00 74.34 H new ATOM 0 HE3 LYS A 111 1.786 -9.123 -14.205 1.00 74.34 H new ATOM 0 HZ1 LYS A 111 2.896 -7.580 -15.686 1.00 63.44 H new ATOM 0 HZ2 LYS A 111 1.253 -7.700 -16.099 1.00 63.44 H new ATOM 0 HZ3 LYS A 111 1.819 -6.337 -15.260 1.00 63.44 H new ATOM 1767 N GLN A 112 -1.228 -10.500 -12.856 1.00 52.54 N ATOM 1768 CA GLN A 112 -1.320 -11.351 -14.037 1.00 10.21 C ATOM 1769 C GLN A 112 -2.276 -12.516 -13.797 1.00 0.31 C ATOM 1770 O GLN A 112 -2.951 -12.977 -14.716 1.00 14.34 O ATOM 1771 CB GLN A 112 0.064 -11.882 -14.417 1.00 41.41 C ATOM 1772 CG GLN A 112 0.708 -12.733 -13.334 1.00 33.01 C ATOM 1773 CD GLN A 112 2.009 -13.366 -13.785 1.00 31.12 C ATOM 1774 OE1 GLN A 112 2.141 -14.590 -13.813 1.00 53.14 O ATOM 1775 NE2 GLN A 112 2.979 -12.533 -14.143 1.00 73.33 N ATOM 0 H GLN A 112 -0.331 -10.543 -12.373 1.00 52.54 H new ATOM 0 HA GLN A 112 -1.710 -10.749 -14.858 1.00 10.21 H new ATOM 0 HB2 GLN A 112 -0.021 -12.473 -15.329 1.00 41.41 H new ATOM 0 HB3 GLN A 112 0.718 -11.040 -14.642 1.00 41.41 H new ATOM 0 HG2 GLN A 112 0.894 -12.116 -12.455 1.00 33.01 H new ATOM 0 HG3 GLN A 112 0.013 -13.516 -13.032 1.00 33.01 H new ATOM 0 HE21 GLN A 112 2.826 -11.525 -14.104 1.00 73.33 H new ATOM 0 HE22 GLN A 112 3.877 -12.901 -14.457 1.00 73.33 H new ATOM 1784 N VAL A 113 -2.326 -12.986 -12.554 1.00 42.44 N ATOM 1785 CA VAL A 113 -3.201 -14.095 -12.192 1.00 53.54 C ATOM 1786 C VAL A 113 -4.654 -13.645 -12.105 1.00 33.44 C ATOM 1787 O VAL A 113 -5.526 -14.193 -12.778 1.00 10.35 O ATOM 1788 CB VAL A 113 -2.787 -14.720 -10.847 1.00 51.35 C ATOM 1789 CG1 VAL A 113 -3.868 -15.662 -10.340 1.00 52.31 C ATOM 1790 CG2 VAL A 113 -1.456 -15.446 -10.983 1.00 71.43 C ATOM 0 H VAL A 113 -1.771 -12.616 -11.782 1.00 42.44 H new ATOM 0 HA VAL A 113 -3.103 -14.844 -12.978 1.00 53.54 H new ATOM 0 HB VAL A 113 -2.665 -13.920 -10.117 1.00 51.35 H new ATOM 0 HG11 VAL A 113 -3.557 -16.094 -9.389 1.00 52.31 H new ATOM 0 HG12 VAL A 113 -4.797 -15.109 -10.201 1.00 52.31 H new ATOM 0 HG13 VAL A 113 -4.026 -16.459 -11.066 1.00 52.31 H new ATOM 0 HG21 VAL A 113 -1.179 -15.881 -10.023 1.00 71.43 H new ATOM 0 HG22 VAL A 113 -1.547 -16.237 -11.727 1.00 71.43 H new ATOM 0 HG23 VAL A 113 -0.687 -14.740 -11.296 1.00 71.43 H new ATOM 1800 N VAL A 114 -4.908 -12.641 -11.271 1.00 62.31 N ATOM 1801 CA VAL A 114 -6.256 -12.114 -11.097 1.00 44.31 C ATOM 1802 C VAL A 114 -6.854 -11.680 -12.431 1.00 24.40 C ATOM 1803 O VAL A 114 -8.048 -11.854 -12.675 1.00 43.44 O ATOM 1804 CB VAL A 114 -6.270 -10.917 -10.127 1.00 25.43 C ATOM 1805 CG1 VAL A 114 -5.846 -11.355 -8.733 1.00 75.53 C ATOM 1806 CG2 VAL A 114 -5.370 -9.804 -10.643 1.00 62.43 C ATOM 0 H VAL A 114 -4.197 -12.177 -10.705 1.00 62.31 H new ATOM 0 HA VAL A 114 -6.858 -12.920 -10.677 1.00 44.31 H new ATOM 0 HB VAL A 114 -7.288 -10.531 -10.066 1.00 25.43 H new ATOM 0 HG11 VAL A 114 -5.862 -10.497 -8.061 1.00 75.53 H new ATOM 0 HG12 VAL A 114 -6.535 -12.116 -8.366 1.00 75.53 H new ATOM 0 HG13 VAL A 114 -4.837 -11.767 -8.772 1.00 75.53 H new ATOM 0 HG21 VAL A 114 -5.391 -8.966 -9.946 1.00 62.43 H new ATOM 0 HG22 VAL A 114 -4.349 -10.174 -10.734 1.00 62.43 H new ATOM 0 HG23 VAL A 114 -5.724 -9.473 -11.619 1.00 62.43 H new ATOM 1816 N THR A 115 -6.015 -11.114 -13.293 1.00 11.13 N ATOM 1817 CA THR A 115 -6.460 -10.654 -14.602 1.00 33.11 C ATOM 1818 C THR A 115 -6.767 -11.829 -15.523 1.00 25.41 C ATOM 1819 O THR A 115 -7.606 -11.726 -16.417 1.00 0.53 O ATOM 1820 CB THR A 115 -5.402 -9.756 -15.272 1.00 14.23 C ATOM 1821 OG1 THR A 115 -5.181 -8.584 -14.478 1.00 20.24 O ATOM 1822 CG2 THR A 115 -5.842 -9.352 -16.671 1.00 72.31 C ATOM 0 H THR A 115 -5.023 -10.963 -13.108 1.00 11.13 H new ATOM 0 HA THR A 115 -7.369 -10.075 -14.440 1.00 33.11 H new ATOM 0 HB THR A 115 -4.474 -10.322 -15.350 1.00 14.23 H new ATOM 0 HG1 THR A 115 -4.692 -8.827 -13.664 1.00 20.24 H new ATOM 0 HG21 THR A 115 -5.079 -8.719 -17.124 1.00 72.31 H new ATOM 0 HG22 THR A 115 -5.981 -10.245 -17.281 1.00 72.31 H new ATOM 0 HG23 THR A 115 -6.782 -8.803 -16.612 1.00 72.31 H new ATOM 1830 N GLN A 116 -6.082 -12.946 -15.298 1.00 72.25 N ATOM 1831 CA GLN A 116 -6.282 -14.142 -16.107 1.00 54.01 C ATOM 1832 C GLN A 116 -7.630 -14.788 -15.802 1.00 61.15 C ATOM 1833 O GLN A 116 -8.410 -15.078 -16.708 1.00 62.10 O ATOM 1834 CB GLN A 116 -5.155 -15.146 -15.862 1.00 65.13 C ATOM 1835 CG GLN A 116 -3.913 -14.883 -16.698 1.00 43.44 C ATOM 1836 CD GLN A 116 -2.685 -15.586 -16.155 1.00 55.41 C ATOM 1837 OE1 GLN A 116 -1.613 -14.991 -16.044 1.00 43.23 O ATOM 1838 NE2 GLN A 116 -2.835 -16.861 -15.814 1.00 23.42 N ATOM 0 H GLN A 116 -5.383 -13.047 -14.562 1.00 72.25 H new ATOM 0 HA GLN A 116 -6.271 -13.845 -17.156 1.00 54.01 H new ATOM 0 HB2 GLN A 116 -4.884 -15.124 -14.807 1.00 65.13 H new ATOM 0 HB3 GLN A 116 -5.521 -16.150 -16.076 1.00 65.13 H new ATOM 0 HG2 GLN A 116 -4.092 -15.212 -17.722 1.00 43.44 H new ATOM 0 HG3 GLN A 116 -3.726 -13.810 -16.736 1.00 43.44 H new ATOM 0 HE21 GLN A 116 -3.742 -17.315 -15.923 1.00 23.42 H new ATOM 0 HE22 GLN A 116 -2.043 -17.386 -15.443 1.00 23.42 H new ATOM 1847 N ARG A 117 -7.897 -15.008 -14.518 1.00 54.30 N ATOM 1848 CA ARG A 117 -9.149 -15.621 -14.092 1.00 0.51 C ATOM 1849 C ARG A 117 -10.345 -14.845 -14.636 1.00 2.44 C ATOM 1850 O ARG A 117 -11.416 -15.411 -14.858 1.00 12.00 O ATOM 1851 CB ARG A 117 -9.218 -15.682 -12.565 1.00 31.12 C ATOM 1852 CG ARG A 117 -8.002 -16.333 -11.926 1.00 40.43 C ATOM 1853 CD ARG A 117 -7.754 -17.723 -12.489 1.00 72.54 C ATOM 1854 NE ARG A 117 -7.463 -18.695 -11.439 1.00 64.15 N ATOM 1855 CZ ARG A 117 -8.398 -19.286 -10.704 1.00 13.24 C ATOM 1856 NH1 ARG A 117 -9.679 -19.005 -10.904 1.00 21.13 N1+ ATOM 1857 NH2 ARG A 117 -8.054 -20.160 -9.766 1.00 63.20 N ATOM 0 H ARG A 117 -7.263 -14.771 -13.755 1.00 54.30 H new ATOM 0 HA ARG A 117 -9.183 -16.635 -14.490 1.00 0.51 H new ATOM 0 HB2 ARG A 117 -9.326 -14.670 -12.174 1.00 31.12 H new ATOM 0 HB3 ARG A 117 -10.111 -16.234 -12.272 1.00 31.12 H new ATOM 0 HG2 ARG A 117 -7.124 -15.709 -12.094 1.00 40.43 H new ATOM 0 HG3 ARG A 117 -8.147 -16.397 -10.848 1.00 40.43 H new ATOM 0 HD2 ARG A 117 -8.630 -18.048 -13.051 1.00 72.54 H new ATOM 0 HD3 ARG A 117 -6.920 -17.687 -13.190 1.00 72.54 H new ATOM 0 HE ARG A 117 -6.488 -18.933 -11.260 1.00 64.15 H new ATOM 0 HH11 ARG A 117 -9.948 -18.334 -11.624 1.00 21.13 H new ATOM 0 HH12 ARG A 117 -10.395 -19.460 -10.338 1.00 21.13 H new ATOM 0 HH21 ARG A 117 -7.070 -20.379 -9.609 1.00 63.20 H new ATOM 0 HH22 ARG A 117 -8.773 -20.613 -9.202 1.00 63.20 H new ATOM 1871 N VAL A 118 -10.156 -13.546 -14.846 1.00 41.12 N ATOM 1872 CA VAL A 118 -11.220 -12.693 -15.364 1.00 4.21 C ATOM 1873 C VAL A 118 -11.688 -13.169 -16.735 1.00 14.31 C ATOM 1874 O VAL A 118 -12.887 -13.269 -16.992 1.00 21.50 O ATOM 1875 CB VAL A 118 -10.760 -11.227 -15.470 1.00 24.22 C ATOM 1876 CG1 VAL A 118 -11.882 -10.354 -16.014 1.00 62.13 C ATOM 1877 CG2 VAL A 118 -10.286 -10.718 -14.118 1.00 2.43 C ATOM 0 H VAL A 118 -9.277 -13.061 -14.666 1.00 41.12 H new ATOM 0 HA VAL A 118 -12.049 -12.756 -14.659 1.00 4.21 H new ATOM 0 HB VAL A 118 -9.922 -11.177 -16.165 1.00 24.22 H new ATOM 0 HG11 VAL A 118 -11.539 -9.322 -16.082 1.00 62.13 H new ATOM 0 HG12 VAL A 118 -12.170 -10.707 -17.004 1.00 62.13 H new ATOM 0 HG13 VAL A 118 -12.741 -10.408 -15.346 1.00 62.13 H new ATOM 0 HG21 VAL A 118 -9.965 -9.681 -14.212 1.00 2.43 H new ATOM 0 HG22 VAL A 118 -11.103 -10.781 -13.399 1.00 2.43 H new ATOM 0 HG23 VAL A 118 -9.450 -11.327 -13.773 1.00 2.43 H new