USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 840 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 21 ASN : amide:sc= -1.03 K(o=-1,f=0.78) USER MOD Set 1.2: A 23 THR OG1 : rot 180:sc= 0.00311 USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= 0.318 (180deg=0.19) USER MOD Single : A 10 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.1) USER MOD Single : A 17 GLN : amide:sc= -1.48! K(o=-1.5!,f=-0.93) USER MOD Single : A 20 LYS NZ :NH3+ 170:sc= 0.727 (180deg=0.648) USER MOD Single : A 28 GLN : amide:sc= 0.27 K(o=0.27,f=-0.41) USER MOD Single : A 32 ASN : amide:sc= -0.361 K(o=-0.36,f=-0.88) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 123:sc= -0.112 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 46 HIS : no HD1:sc= -1.03 X(o=-1,f=-1.4) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00776) USER MOD Single : A 53 GLN : amide:sc= -0.256 X(o=-0.26,f=0) USER MOD Single : A 56 HIS : no HD1:sc= 0.244 K(o=0.24,f=-0.87) USER MOD Single : A 60 LYS NZ :NH3+ -127:sc= 1.22 (180deg=0.111) USER MOD Single : A 65 THR OG1 : rot -5:sc= 0.491 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.955 K(o=-0.95,f=-1.5) USER MOD Single : A 74 THR OG1 : rot -99:sc= 0.444 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -31:sc= 1.14 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0984 X(o=-0.098,f=0) USER MOD Single : A 88 THR OG1 : rot 159:sc= 0.17 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 36:sc= 0.402 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.025 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 109 ASN : amide:sc= -0.06 X(o=-0.06,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 8.485 -13.937 -5.556 1.00 33.20 N ATOM 38 CA ASP A 3 8.446 -12.566 -6.116 1.00 25.02 C ATOM 39 C ASP A 3 8.127 -11.539 -5.010 1.00 4.22 C ATOM 40 O ASP A 3 7.641 -10.461 -5.306 1.00 72.14 O ATOM 41 CB ASP A 3 7.390 -12.468 -7.256 1.00 62.22 C ATOM 42 CG ASP A 3 7.625 -13.471 -8.391 1.00 73.44 C ATOM 43 OD1 ASP A 3 6.986 -14.549 -8.384 1.00 20.01 O ATOM 44 OD2 ASP A 3 8.454 -13.190 -9.286 1.00 51.11 O ATOM 0 HA ASP A 3 9.428 -12.341 -6.531 1.00 25.02 H new ATOM 0 HB2 ASP A 3 6.397 -12.631 -6.837 1.00 62.22 H new ATOM 0 HB3 ASP A 3 7.401 -11.458 -7.666 1.00 62.22 H new ATOM 49 N ILE A 4 8.483 -11.887 -3.757 1.00 73.23 N ATOM 50 CA ILE A 4 8.100 -11.165 -2.519 1.00 34.14 C ATOM 51 C ILE A 4 8.514 -9.667 -2.527 1.00 31.24 C ATOM 52 O ILE A 4 7.739 -8.811 -2.081 1.00 53.35 O ATOM 53 CB ILE A 4 8.717 -11.913 -1.267 1.00 13.13 C ATOM 54 CG1 ILE A 4 8.137 -13.369 -1.145 1.00 62.43 C ATOM 55 CG2 ILE A 4 8.516 -11.123 0.045 1.00 5.01 C ATOM 56 CD1 ILE A 4 6.628 -13.457 -0.920 1.00 25.22 C ATOM 0 H ILE A 4 9.064 -12.704 -3.569 1.00 73.23 H new ATOM 0 HA ILE A 4 7.012 -11.171 -2.461 1.00 34.14 H new ATOM 0 HB ILE A 4 9.792 -11.983 -1.432 1.00 13.13 H new ATOM 0 HG12 ILE A 4 8.384 -13.918 -2.054 1.00 62.43 H new ATOM 0 HG13 ILE A 4 8.640 -13.874 -0.321 1.00 62.43 H new ATOM 0 HG21 ILE A 4 8.956 -11.677 0.874 1.00 5.01 H new ATOM 0 HG22 ILE A 4 9.000 -10.150 -0.039 1.00 5.01 H new ATOM 0 HG23 ILE A 4 7.450 -10.984 0.226 1.00 5.01 H new ATOM 0 HD11 ILE A 4 6.331 -14.503 -0.850 1.00 25.22 H new ATOM 0 HD12 ILE A 4 6.368 -12.943 0.005 1.00 25.22 H new ATOM 0 HD13 ILE A 4 6.108 -12.987 -1.755 1.00 25.22 H new ATOM 68 N VAL A 5 9.718 -9.374 -3.052 1.00 33.33 N ATOM 69 CA VAL A 5 10.243 -7.996 -3.175 1.00 43.52 C ATOM 70 C VAL A 5 9.330 -7.155 -4.094 1.00 33.43 C ATOM 71 O VAL A 5 8.875 -6.069 -3.712 1.00 61.31 O ATOM 72 CB VAL A 5 11.723 -8.007 -3.729 1.00 74.04 C ATOM 73 CG1 VAL A 5 12.264 -6.579 -3.978 1.00 24.44 C ATOM 74 CG2 VAL A 5 12.663 -8.788 -2.779 1.00 42.45 C ATOM 0 H VAL A 5 10.358 -10.086 -3.404 1.00 33.33 H new ATOM 0 HA VAL A 5 10.254 -7.543 -2.183 1.00 43.52 H new ATOM 0 HB VAL A 5 11.699 -8.517 -4.692 1.00 74.04 H new ATOM 0 HG11 VAL A 5 13.284 -6.637 -4.358 1.00 24.44 H new ATOM 0 HG12 VAL A 5 11.633 -6.073 -4.709 1.00 24.44 H new ATOM 0 HG13 VAL A 5 12.257 -6.019 -3.043 1.00 24.44 H new ATOM 0 HG21 VAL A 5 13.676 -8.781 -3.182 1.00 42.45 H new ATOM 0 HG22 VAL A 5 12.661 -8.317 -1.796 1.00 42.45 H new ATOM 0 HG23 VAL A 5 12.316 -9.817 -2.688 1.00 42.45 H new ATOM 84 N GLU A 6 9.031 -7.712 -5.282 1.00 62.13 N ATOM 85 CA GLU A 6 8.180 -7.052 -6.292 1.00 73.35 C ATOM 86 C GLU A 6 6.705 -7.044 -5.848 1.00 4.32 C ATOM 87 O GLU A 6 5.965 -6.108 -6.160 1.00 13.24 O ATOM 88 CB GLU A 6 8.353 -7.757 -7.664 1.00 71.14 C ATOM 89 CG GLU A 6 7.493 -7.183 -8.820 1.00 64.12 C ATOM 90 CD GLU A 6 7.708 -5.672 -9.070 1.00 4.12 C ATOM 91 OE1 GLU A 6 6.741 -4.886 -8.931 1.00 55.32 O ATOM 92 OE2 GLU A 6 8.848 -5.264 -9.391 1.00 62.24 O ATOM 0 H GLU A 6 9.371 -8.630 -5.569 1.00 62.13 H new ATOM 0 HA GLU A 6 8.493 -6.013 -6.395 1.00 73.35 H new ATOM 0 HB2 GLU A 6 9.403 -7.701 -7.952 1.00 71.14 H new ATOM 0 HB3 GLU A 6 8.111 -8.813 -7.544 1.00 71.14 H new ATOM 0 HG2 GLU A 6 7.721 -7.729 -9.735 1.00 64.12 H new ATOM 0 HG3 GLU A 6 6.440 -7.359 -8.598 1.00 64.12 H new ATOM 99 N ALA A 7 6.314 -8.073 -5.081 1.00 63.44 N ATOM 100 CA ALA A 7 4.943 -8.242 -4.592 1.00 62.03 C ATOM 101 C ALA A 7 4.600 -7.128 -3.610 1.00 20.10 C ATOM 102 O ALA A 7 3.582 -6.476 -3.751 1.00 3.34 O ATOM 103 CB ALA A 7 4.773 -9.616 -3.933 1.00 31.44 C ATOM 0 H ALA A 7 6.947 -8.815 -4.782 1.00 63.44 H new ATOM 0 HA ALA A 7 4.258 -8.185 -5.438 1.00 62.03 H new ATOM 0 HB1 ALA A 7 3.749 -9.724 -3.576 1.00 31.44 H new ATOM 0 HB2 ALA A 7 4.988 -10.398 -4.661 1.00 31.44 H new ATOM 0 HB3 ALA A 7 5.462 -9.704 -3.093 1.00 31.44 H new ATOM 109 N ALA A 8 5.504 -6.899 -2.648 1.00 70.13 N ATOM 110 CA ALA A 8 5.356 -5.854 -1.629 1.00 13.51 C ATOM 111 C ALA A 8 5.368 -4.452 -2.255 1.00 4.14 C ATOM 112 O ALA A 8 4.609 -3.573 -1.849 1.00 51.41 O ATOM 113 CB ALA A 8 6.477 -5.992 -0.604 1.00 61.41 C ATOM 0 H ALA A 8 6.365 -7.438 -2.555 1.00 70.13 H new ATOM 0 HA ALA A 8 4.391 -5.980 -1.137 1.00 13.51 H new ATOM 0 HB1 ALA A 8 6.372 -5.218 0.156 1.00 61.41 H new ATOM 0 HB2 ALA A 8 6.420 -6.973 -0.133 1.00 61.41 H new ATOM 0 HB3 ALA A 8 7.441 -5.884 -1.102 1.00 61.41 H new ATOM 119 N LYS A 9 6.248 -4.282 -3.252 1.00 43.10 N ATOM 120 CA LYS A 9 6.409 -3.030 -4.012 1.00 63.34 C ATOM 121 C LYS A 9 5.092 -2.623 -4.715 1.00 20.33 C ATOM 122 O LYS A 9 4.557 -1.534 -4.455 1.00 25.41 O ATOM 123 CB LYS A 9 7.559 -3.223 -5.036 1.00 45.35 C ATOM 124 CG LYS A 9 7.689 -2.127 -6.117 1.00 44.23 C ATOM 125 CD LYS A 9 8.698 -2.526 -7.215 1.00 54.25 C ATOM 126 CE LYS A 9 8.598 -1.653 -8.473 1.00 62.12 C ATOM 127 NZ LYS A 9 9.426 -2.201 -9.581 1.00 61.14 N ATOM 0 H LYS A 9 6.879 -5.022 -3.560 1.00 43.10 H new ATOM 0 HA LYS A 9 6.659 -2.218 -3.329 1.00 63.34 H new ATOM 0 HB2 LYS A 9 8.500 -3.281 -4.490 1.00 45.35 H new ATOM 0 HB3 LYS A 9 7.419 -4.183 -5.534 1.00 45.35 H new ATOM 0 HG2 LYS A 9 6.714 -1.943 -6.568 1.00 44.23 H new ATOM 0 HG3 LYS A 9 8.007 -1.193 -5.653 1.00 44.23 H new ATOM 0 HD2 LYS A 9 9.709 -2.458 -6.813 1.00 54.25 H new ATOM 0 HD3 LYS A 9 8.533 -3.568 -7.489 1.00 54.25 H new ATOM 0 HE2 LYS A 9 7.558 -1.589 -8.792 1.00 62.12 H new ATOM 0 HE3 LYS A 9 8.923 -0.639 -8.241 1.00 62.12 H new ATOM 0 HZ1 LYS A 9 9.115 -1.789 -10.484 1.00 61.14 H new ATOM 0 HZ2 LYS A 9 10.425 -1.963 -9.418 1.00 61.14 H new ATOM 0 HZ3 LYS A 9 9.318 -3.235 -9.617 1.00 61.14 H new ATOM 141 N GLN A 10 4.569 -3.524 -5.572 1.00 3.33 N ATOM 142 CA GLN A 10 3.321 -3.290 -6.332 1.00 43.12 C ATOM 143 C GLN A 10 2.105 -3.228 -5.387 1.00 54.33 C ATOM 144 O GLN A 10 1.120 -2.543 -5.683 1.00 74.03 O ATOM 145 CB GLN A 10 3.109 -4.395 -7.403 1.00 40.33 C ATOM 146 CG GLN A 10 2.828 -5.799 -6.835 1.00 2.41 C ATOM 147 CD GLN A 10 2.593 -6.872 -7.894 1.00 55.14 C ATOM 148 OE1 GLN A 10 3.530 -7.538 -8.341 1.00 65.15 O ATOM 149 NE2 GLN A 10 1.342 -7.038 -8.313 1.00 61.23 N ATOM 0 H GLN A 10 4.997 -4.431 -5.757 1.00 3.33 H new ATOM 0 HA GLN A 10 3.416 -2.329 -6.838 1.00 43.12 H new ATOM 0 HB2 GLN A 10 2.277 -4.105 -8.045 1.00 40.33 H new ATOM 0 HB3 GLN A 10 3.996 -4.445 -8.034 1.00 40.33 H new ATOM 0 HG2 GLN A 10 3.669 -6.100 -6.211 1.00 2.41 H new ATOM 0 HG3 GLN A 10 1.953 -5.747 -6.187 1.00 2.41 H new ATOM 0 HE21 GLN A 10 0.593 -6.468 -7.920 1.00 61.23 H new ATOM 0 HE22 GLN A 10 1.132 -7.735 -9.027 1.00 61.23 H new ATOM 158 N ALA A 11 2.206 -3.952 -4.251 1.00 53.25 N ATOM 159 CA ALA A 11 1.155 -4.009 -3.230 1.00 1.20 C ATOM 160 C ALA A 11 0.971 -2.660 -2.567 1.00 12.50 C ATOM 161 O ALA A 11 -0.158 -2.221 -2.391 1.00 72.50 O ATOM 162 CB ALA A 11 1.475 -5.054 -2.166 1.00 13.44 C ATOM 0 H ALA A 11 3.026 -4.514 -4.022 1.00 53.25 H new ATOM 0 HA ALA A 11 0.230 -4.290 -3.734 1.00 1.20 H new ATOM 0 HB1 ALA A 11 0.678 -5.073 -1.423 1.00 13.44 H new ATOM 0 HB2 ALA A 11 1.559 -6.035 -2.633 1.00 13.44 H new ATOM 0 HB3 ALA A 11 2.418 -4.802 -1.680 1.00 13.44 H new ATOM 168 N ALA A 12 2.102 -2.014 -2.218 1.00 32.42 N ATOM 169 CA ALA A 12 2.105 -0.690 -1.593 1.00 42.44 C ATOM 170 C ALA A 12 1.357 0.321 -2.467 1.00 32.42 C ATOM 171 O ALA A 12 0.414 0.963 -2.006 1.00 11.24 O ATOM 172 CB ALA A 12 3.540 -0.219 -1.332 1.00 30.11 C ATOM 0 H ALA A 12 3.034 -2.401 -2.364 1.00 32.42 H new ATOM 0 HA ALA A 12 1.589 -0.763 -0.636 1.00 42.44 H new ATOM 0 HB1 ALA A 12 3.521 0.767 -0.867 1.00 30.11 H new ATOM 0 HB2 ALA A 12 4.039 -0.924 -0.667 1.00 30.11 H new ATOM 0 HB3 ALA A 12 4.082 -0.164 -2.276 1.00 30.11 H new ATOM 178 N ILE A 13 1.745 0.358 -3.757 1.00 51.23 N ATOM 179 CA ILE A 13 1.174 1.271 -4.758 1.00 2.30 C ATOM 180 C ILE A 13 -0.338 0.997 -4.938 1.00 63.01 C ATOM 181 O ILE A 13 -1.137 1.929 -4.979 1.00 41.10 O ATOM 182 CB ILE A 13 1.913 1.127 -6.147 1.00 41.41 C ATOM 183 CG1 ILE A 13 3.466 1.213 -5.963 1.00 70.22 C ATOM 184 CG2 ILE A 13 1.419 2.199 -7.150 1.00 43.25 C ATOM 185 CD1 ILE A 13 4.276 0.896 -7.213 1.00 20.44 C ATOM 0 H ILE A 13 2.471 -0.252 -4.134 1.00 51.23 H new ATOM 0 HA ILE A 13 1.313 2.290 -4.397 1.00 2.30 H new ATOM 0 HB ILE A 13 1.673 0.145 -6.556 1.00 41.41 H new ATOM 0 HG12 ILE A 13 3.723 2.217 -5.626 1.00 70.22 H new ATOM 0 HG13 ILE A 13 3.762 0.525 -5.171 1.00 70.22 H new ATOM 0 HG21 ILE A 13 1.943 2.079 -8.098 1.00 43.25 H new ATOM 0 HG22 ILE A 13 0.347 2.081 -7.310 1.00 43.25 H new ATOM 0 HG23 ILE A 13 1.619 3.192 -6.749 1.00 43.25 H new ATOM 0 HD11 ILE A 13 5.339 0.981 -6.989 1.00 20.44 H new ATOM 0 HD12 ILE A 13 4.055 -0.119 -7.542 1.00 20.44 H new ATOM 0 HD13 ILE A 13 4.014 1.599 -8.004 1.00 20.44 H new ATOM 197 N ALA A 14 -0.704 -0.304 -4.993 1.00 24.20 N ATOM 198 CA ALA A 14 -2.101 -0.760 -5.182 1.00 4.20 C ATOM 199 C ALA A 14 -2.992 -0.404 -3.979 1.00 75.11 C ATOM 200 O ALA A 14 -4.188 -0.142 -4.139 1.00 20.42 O ATOM 201 CB ALA A 14 -2.133 -2.269 -5.429 1.00 33.44 C ATOM 0 H ALA A 14 -0.036 -1.070 -4.907 1.00 24.20 H new ATOM 0 HA ALA A 14 -2.500 -0.239 -6.052 1.00 4.20 H new ATOM 0 HB1 ALA A 14 -3.164 -2.593 -5.567 1.00 33.44 H new ATOM 0 HB2 ALA A 14 -1.556 -2.504 -6.324 1.00 33.44 H new ATOM 0 HB3 ALA A 14 -1.701 -2.787 -4.573 1.00 33.44 H new ATOM 207 N ILE A 15 -2.384 -0.406 -2.779 1.00 35.03 N ATOM 208 CA ILE A 15 -3.038 0.009 -1.530 1.00 0.01 C ATOM 209 C ILE A 15 -3.414 1.502 -1.617 1.00 30.03 C ATOM 210 O ILE A 15 -4.516 1.881 -1.238 1.00 41.42 O ATOM 211 CB ILE A 15 -2.114 -0.319 -0.275 1.00 0.42 C ATOM 212 CG1 ILE A 15 -2.119 -1.861 0.009 1.00 22.13 C ATOM 213 CG2 ILE A 15 -2.507 0.481 0.988 1.00 5.44 C ATOM 214 CD1 ILE A 15 -1.195 -2.331 1.127 1.00 34.52 C ATOM 0 H ILE A 15 -1.415 -0.699 -2.651 1.00 35.03 H new ATOM 0 HA ILE A 15 -3.959 -0.557 -1.391 1.00 0.01 H new ATOM 0 HB ILE A 15 -1.102 -0.005 -0.529 1.00 0.42 H new ATOM 0 HG12 ILE A 15 -3.137 -2.163 0.253 1.00 22.13 H new ATOM 0 HG13 ILE A 15 -1.843 -2.381 -0.908 1.00 22.13 H new ATOM 0 HG21 ILE A 15 -1.842 0.214 1.809 1.00 5.44 H new ATOM 0 HG22 ILE A 15 -2.422 1.548 0.784 1.00 5.44 H new ATOM 0 HG23 ILE A 15 -3.535 0.245 1.263 1.00 5.44 H new ATOM 0 HD11 ILE A 15 -1.278 -3.412 1.237 1.00 34.52 H new ATOM 0 HD12 ILE A 15 -0.166 -2.069 0.882 1.00 34.52 H new ATOM 0 HD13 ILE A 15 -1.480 -1.848 2.062 1.00 34.52 H new ATOM 226 N PHE A 16 -2.507 2.325 -2.187 1.00 62.22 N ATOM 227 CA PHE A 16 -2.773 3.766 -2.417 1.00 44.25 C ATOM 228 C PHE A 16 -3.781 3.984 -3.556 1.00 44.31 C ATOM 229 O PHE A 16 -4.528 4.965 -3.537 1.00 35.53 O ATOM 230 CB PHE A 16 -1.481 4.539 -2.738 1.00 54.22 C ATOM 231 CG PHE A 16 -0.437 4.484 -1.637 1.00 10.43 C ATOM 232 CD1 PHE A 16 -0.686 5.044 -0.384 1.00 1.23 C ATOM 233 CD2 PHE A 16 0.794 3.890 -1.860 1.00 25.21 C ATOM 234 CE1 PHE A 16 0.276 5.009 0.604 1.00 52.15 C ATOM 235 CE2 PHE A 16 1.743 3.849 -0.877 1.00 11.04 C ATOM 236 CZ PHE A 16 1.488 4.407 0.355 1.00 44.14 C ATOM 0 H PHE A 16 -1.585 2.019 -2.497 1.00 62.22 H new ATOM 0 HA PHE A 16 -3.197 4.149 -1.488 1.00 44.25 H new ATOM 0 HB2 PHE A 16 -1.048 4.138 -3.655 1.00 54.22 H new ATOM 0 HB3 PHE A 16 -1.733 5.581 -2.934 1.00 54.22 H new ATOM 0 HD1 PHE A 16 -1.640 5.509 -0.186 1.00 1.23 H new ATOM 0 HD2 PHE A 16 1.007 3.453 -2.824 1.00 25.21 H new ATOM 0 HE1 PHE A 16 0.079 5.452 1.569 1.00 52.15 H new ATOM 0 HE2 PHE A 16 2.696 3.377 -1.068 1.00 11.04 H new ATOM 0 HZ PHE A 16 2.241 4.372 1.128 1.00 44.14 H new ATOM 246 N GLN A 17 -3.779 3.070 -4.546 1.00 1.10 N ATOM 247 CA GLN A 17 -4.718 3.120 -5.684 1.00 20.02 C ATOM 248 C GLN A 17 -6.152 2.889 -5.203 1.00 4.31 C ATOM 249 O GLN A 17 -7.089 3.493 -5.731 1.00 54.42 O ATOM 250 CB GLN A 17 -4.341 2.105 -6.794 1.00 5.24 C ATOM 251 CG GLN A 17 -3.019 2.428 -7.521 1.00 55.31 C ATOM 252 CD GLN A 17 -2.798 1.593 -8.778 1.00 75.11 C ATOM 253 OE1 GLN A 17 -3.751 1.206 -9.450 1.00 31.04 O ATOM 254 NE2 GLN A 17 -1.551 1.321 -9.119 1.00 24.24 N ATOM 0 H GLN A 17 -3.132 2.282 -4.580 1.00 1.10 H new ATOM 0 HA GLN A 17 -4.649 4.116 -6.122 1.00 20.02 H new ATOM 0 HB2 GLN A 17 -4.267 1.111 -6.353 1.00 5.24 H new ATOM 0 HB3 GLN A 17 -5.147 2.069 -7.527 1.00 5.24 H new ATOM 0 HG2 GLN A 17 -3.010 3.484 -7.789 1.00 55.31 H new ATOM 0 HG3 GLN A 17 -2.187 2.266 -6.835 1.00 55.31 H new ATOM 0 HE21 GLN A 17 -0.780 1.656 -8.541 1.00 24.24 H new ATOM 0 HE22 GLN A 17 -1.359 0.776 -9.960 1.00 24.24 H new ATOM 263 N LEU A 18 -6.298 2.017 -4.190 1.00 24.54 N ATOM 264 CA LEU A 18 -7.566 1.839 -3.478 1.00 11.34 C ATOM 265 C LEU A 18 -7.845 3.064 -2.586 1.00 5.24 C ATOM 266 O LEU A 18 -8.949 3.572 -2.591 1.00 65.41 O ATOM 267 CB LEU A 18 -7.578 0.522 -2.652 1.00 52.51 C ATOM 268 CG LEU A 18 -7.613 -0.800 -3.486 1.00 52.33 C ATOM 269 CD1 LEU A 18 -7.559 -2.047 -2.579 1.00 41.42 C ATOM 270 CD2 LEU A 18 -8.849 -0.850 -4.416 1.00 3.11 C ATOM 0 H LEU A 18 -5.544 1.422 -3.847 1.00 24.54 H new ATOM 0 HA LEU A 18 -8.365 1.757 -4.215 1.00 11.34 H new ATOM 0 HB2 LEU A 18 -6.693 0.505 -2.016 1.00 52.51 H new ATOM 0 HB3 LEU A 18 -8.445 0.537 -1.992 1.00 52.51 H new ATOM 0 HG LEU A 18 -6.721 -0.806 -4.112 1.00 52.33 H new ATOM 0 HD11 LEU A 18 -7.585 -2.946 -3.195 1.00 41.42 H new ATOM 0 HD12 LEU A 18 -6.638 -2.033 -1.996 1.00 41.42 H new ATOM 0 HD13 LEU A 18 -8.415 -2.044 -1.905 1.00 41.42 H new ATOM 0 HD21 LEU A 18 -8.842 -1.782 -4.981 1.00 3.11 H new ATOM 0 HD22 LEU A 18 -9.758 -0.796 -3.817 1.00 3.11 H new ATOM 0 HD23 LEU A 18 -8.819 -0.007 -5.106 1.00 3.11 H new ATOM 282 N TRP A 19 -6.810 3.567 -1.880 1.00 31.31 N ATOM 283 CA TRP A 19 -6.945 4.710 -0.932 1.00 71.03 C ATOM 284 C TRP A 19 -7.427 6.013 -1.614 1.00 3.42 C ATOM 285 O TRP A 19 -8.032 6.872 -0.954 1.00 25.04 O ATOM 286 CB TRP A 19 -5.620 4.952 -0.158 1.00 11.02 C ATOM 287 CG TRP A 19 -5.337 3.976 0.969 1.00 40.03 C ATOM 288 CD1 TRP A 19 -6.060 2.869 1.317 1.00 63.52 C ATOM 289 CD2 TRP A 19 -4.252 4.047 1.908 1.00 11.32 C ATOM 290 NE1 TRP A 19 -5.478 2.242 2.388 1.00 45.15 N ATOM 291 CE2 TRP A 19 -4.372 2.946 2.771 1.00 43.03 C ATOM 292 CE3 TRP A 19 -3.190 4.934 2.100 1.00 33.31 C ATOM 293 CZ2 TRP A 19 -3.470 2.702 3.803 1.00 23.11 C ATOM 294 CZ3 TRP A 19 -2.294 4.695 3.127 1.00 73.15 C ATOM 295 CH2 TRP A 19 -2.441 3.587 3.968 1.00 2.35 C ATOM 0 H TRP A 19 -5.861 3.200 -1.945 1.00 31.31 H new ATOM 0 HA TRP A 19 -7.721 4.426 -0.222 1.00 71.03 H new ATOM 0 HB2 TRP A 19 -4.793 4.912 -0.867 1.00 11.02 H new ATOM 0 HB3 TRP A 19 -5.639 5.961 0.254 1.00 11.02 H new ATOM 0 HD1 TRP A 19 -6.959 2.537 0.820 1.00 63.52 H new ATOM 0 HE1 TRP A 19 -5.817 1.387 2.828 1.00 45.15 H new ATOM 0 HE3 TRP A 19 -3.070 5.793 1.457 1.00 33.31 H new ATOM 0 HZ2 TRP A 19 -3.579 1.844 4.450 1.00 23.11 H new ATOM 0 HZ3 TRP A 19 -1.469 5.374 3.282 1.00 73.15 H new ATOM 0 HH2 TRP A 19 -1.728 3.427 4.763 1.00 2.35 H new ATOM 306 N LYS A 20 -7.156 6.156 -2.923 1.00 1.23 N ATOM 307 CA LYS A 20 -7.651 7.298 -3.724 1.00 70.32 C ATOM 308 C LYS A 20 -8.891 6.895 -4.553 1.00 12.04 C ATOM 309 O LYS A 20 -9.673 7.757 -4.955 1.00 40.15 O ATOM 310 CB LYS A 20 -6.525 7.846 -4.646 1.00 34.23 C ATOM 311 CG LYS A 20 -6.021 6.848 -5.711 1.00 53.23 C ATOM 312 CD LYS A 20 -4.877 7.417 -6.583 1.00 41.12 C ATOM 313 CE LYS A 20 -4.401 6.422 -7.654 1.00 75.52 C ATOM 314 NZ LYS A 20 -3.366 7.016 -8.540 1.00 61.12 N ATOM 0 H LYS A 20 -6.593 5.492 -3.455 1.00 1.23 H new ATOM 0 HA LYS A 20 -7.949 8.091 -3.038 1.00 70.32 H new ATOM 0 HB2 LYS A 20 -6.890 8.741 -5.150 1.00 34.23 H new ATOM 0 HB3 LYS A 20 -5.682 8.151 -4.026 1.00 34.23 H new ATOM 0 HG2 LYS A 20 -5.675 5.941 -5.215 1.00 53.23 H new ATOM 0 HG3 LYS A 20 -6.853 6.562 -6.355 1.00 53.23 H new ATOM 0 HD2 LYS A 20 -5.215 8.333 -7.068 1.00 41.12 H new ATOM 0 HD3 LYS A 20 -4.037 7.686 -5.943 1.00 41.12 H new ATOM 0 HE2 LYS A 20 -3.998 5.533 -7.170 1.00 75.52 H new ATOM 0 HE3 LYS A 20 -5.252 6.100 -8.254 1.00 75.52 H new ATOM 0 HZ1 LYS A 20 -2.950 6.272 -9.135 1.00 61.12 H new ATOM 0 HZ2 LYS A 20 -3.802 7.741 -9.146 1.00 61.12 H new ATOM 0 HZ3 LYS A 20 -2.621 7.452 -7.960 1.00 61.12 H new ATOM 328 N ASN A 21 -9.061 5.577 -4.800 1.00 4.23 N ATOM 329 CA ASN A 21 -10.166 5.041 -5.617 1.00 43.11 C ATOM 330 C ASN A 21 -10.486 3.588 -5.170 1.00 64.12 C ATOM 331 O ASN A 21 -9.900 2.634 -5.698 1.00 23.52 O ATOM 332 CB ASN A 21 -9.800 5.104 -7.131 1.00 54.11 C ATOM 333 CG ASN A 21 -10.938 4.650 -8.055 1.00 51.44 C ATOM 334 OD1 ASN A 21 -11.765 5.452 -8.488 1.00 65.15 O ATOM 335 ND2 ASN A 21 -10.991 3.364 -8.361 1.00 3.44 N ATOM 0 H ASN A 21 -8.435 4.858 -4.438 1.00 4.23 H new ATOM 0 HA ASN A 21 -11.058 5.650 -5.468 1.00 43.11 H new ATOM 0 HB2 ASN A 21 -9.521 6.126 -7.387 1.00 54.11 H new ATOM 0 HB3 ASN A 21 -8.925 4.480 -7.311 1.00 54.11 H new ATOM 0 HD21 ASN A 21 -11.731 3.015 -8.970 1.00 3.44 H new ATOM 0 HD22 ASN A 21 -10.292 2.722 -7.988 1.00 3.44 H new ATOM 342 N PRO A 22 -11.415 3.396 -4.168 1.00 2.05 N ATOM 343 CA PRO A 22 -11.736 2.048 -3.597 1.00 41.42 C ATOM 344 C PRO A 22 -12.359 1.086 -4.627 1.00 53.43 C ATOM 345 O PRO A 22 -12.330 -0.140 -4.449 1.00 44.24 O ATOM 346 CB PRO A 22 -12.733 2.372 -2.452 1.00 23.32 C ATOM 347 CG PRO A 22 -13.325 3.703 -2.819 1.00 3.54 C ATOM 348 CD PRO A 22 -12.212 4.465 -3.500 1.00 44.21 C ATOM 0 HA PRO A 22 -10.840 1.527 -3.261 1.00 41.42 H new ATOM 0 HB2 PRO A 22 -13.504 1.606 -2.371 1.00 23.32 H new ATOM 0 HB3 PRO A 22 -12.226 2.417 -1.488 1.00 23.32 H new ATOM 0 HG2 PRO A 22 -14.181 3.582 -3.483 1.00 3.54 H new ATOM 0 HG3 PRO A 22 -13.679 4.232 -1.935 1.00 3.54 H new ATOM 0 HD2 PRO A 22 -12.601 5.185 -4.220 1.00 44.21 H new ATOM 0 HD3 PRO A 22 -11.611 5.024 -2.783 1.00 44.21 H new ATOM 356 N THR A 23 -12.887 1.666 -5.713 1.00 64.12 N ATOM 357 CA THR A 23 -13.588 0.938 -6.772 1.00 20.45 C ATOM 358 C THR A 23 -12.617 0.320 -7.808 1.00 32.54 C ATOM 359 O THR A 23 -13.078 -0.211 -8.824 1.00 43.45 O ATOM 360 CB THR A 23 -14.599 1.902 -7.482 1.00 44.25 C ATOM 361 OG1 THR A 23 -13.904 3.068 -7.954 1.00 3.33 O ATOM 362 CG2 THR A 23 -15.740 2.333 -6.539 1.00 52.03 C ATOM 0 H THR A 23 -12.837 2.671 -5.880 1.00 64.12 H new ATOM 0 HA THR A 23 -14.123 0.109 -6.309 1.00 20.45 H new ATOM 0 HB THR A 23 -15.041 1.361 -8.319 1.00 44.25 H new ATOM 0 HG1 THR A 23 -14.538 3.669 -8.399 1.00 3.33 H new ATOM 0 HG21 THR A 23 -16.418 3.001 -7.070 1.00 52.03 H new ATOM 0 HG22 THR A 23 -16.287 1.452 -6.203 1.00 52.03 H new ATOM 0 HG23 THR A 23 -15.322 2.852 -5.676 1.00 52.03 H new ATOM 370 N ASP A 24 -11.290 0.375 -7.536 1.00 42.04 N ATOM 371 CA ASP A 24 -10.257 -0.147 -8.455 1.00 15.30 C ATOM 372 C ASP A 24 -10.220 -1.695 -8.384 1.00 53.50 C ATOM 373 O ASP A 24 -9.771 -2.250 -7.372 1.00 2.30 O ATOM 374 CB ASP A 24 -8.859 0.447 -8.118 1.00 53.44 C ATOM 375 CG ASP A 24 -7.834 0.246 -9.256 1.00 51.42 C ATOM 376 OD1 ASP A 24 -7.542 1.222 -9.984 1.00 61.12 O ATOM 377 OD2 ASP A 24 -7.339 -0.887 -9.451 1.00 3.23 O ATOM 0 H ASP A 24 -10.911 0.780 -6.680 1.00 42.04 H new ATOM 0 HA ASP A 24 -10.514 0.156 -9.470 1.00 15.30 H new ATOM 0 HB2 ASP A 24 -8.962 1.512 -7.912 1.00 53.44 H new ATOM 0 HB3 ASP A 24 -8.481 -0.019 -7.208 1.00 53.44 H new ATOM 382 N PRO A 25 -10.696 -2.419 -9.452 1.00 71.42 N ATOM 383 CA PRO A 25 -10.795 -3.900 -9.433 1.00 52.12 C ATOM 384 C PRO A 25 -9.420 -4.603 -9.508 1.00 33.24 C ATOM 385 O PRO A 25 -9.250 -5.691 -8.956 1.00 51.03 O ATOM 386 CB PRO A 25 -11.670 -4.211 -10.672 1.00 62.00 C ATOM 387 CG PRO A 25 -11.410 -3.079 -11.622 1.00 33.52 C ATOM 388 CD PRO A 25 -11.178 -1.856 -10.754 1.00 74.33 C ATOM 0 HA PRO A 25 -11.219 -4.271 -8.500 1.00 52.12 H new ATOM 0 HB2 PRO A 25 -11.400 -5.169 -11.116 1.00 62.00 H new ATOM 0 HB3 PRO A 25 -12.725 -4.269 -10.406 1.00 62.00 H new ATOM 0 HG2 PRO A 25 -10.541 -3.285 -12.247 1.00 33.52 H new ATOM 0 HG3 PRO A 25 -12.257 -2.928 -12.292 1.00 33.52 H new ATOM 0 HD2 PRO A 25 -10.440 -1.187 -11.197 1.00 74.33 H new ATOM 0 HD3 PRO A 25 -12.094 -1.279 -10.624 1.00 74.33 H new ATOM 396 N GLU A 26 -8.446 -3.955 -10.166 1.00 34.34 N ATOM 397 CA GLU A 26 -7.115 -4.536 -10.416 1.00 34.53 C ATOM 398 C GLU A 26 -6.280 -4.561 -9.123 1.00 22.00 C ATOM 399 O GLU A 26 -5.615 -5.560 -8.820 1.00 13.31 O ATOM 400 CB GLU A 26 -6.382 -3.733 -11.526 1.00 41.34 C ATOM 401 CG GLU A 26 -7.164 -3.628 -12.851 1.00 20.34 C ATOM 402 CD GLU A 26 -6.416 -2.857 -13.952 1.00 60.54 C ATOM 403 OE1 GLU A 26 -6.141 -1.658 -13.760 1.00 2.42 O ATOM 404 OE2 GLU A 26 -6.117 -3.433 -15.018 1.00 21.21 O ATOM 0 H GLU A 26 -8.558 -3.013 -10.540 1.00 34.34 H new ATOM 0 HA GLU A 26 -7.242 -5.564 -10.755 1.00 34.53 H new ATOM 0 HB2 GLU A 26 -6.178 -2.728 -11.157 1.00 41.34 H new ATOM 0 HB3 GLU A 26 -5.418 -4.203 -11.722 1.00 41.34 H new ATOM 0 HG2 GLU A 26 -7.388 -4.632 -13.211 1.00 20.34 H new ATOM 0 HG3 GLU A 26 -8.119 -3.138 -12.661 1.00 20.34 H new ATOM 411 N ALA A 27 -6.368 -3.460 -8.354 1.00 33.23 N ATOM 412 CA ALA A 27 -5.588 -3.256 -7.126 1.00 55.13 C ATOM 413 C ALA A 27 -5.952 -4.294 -6.062 1.00 14.14 C ATOM 414 O ALA A 27 -5.079 -4.991 -5.542 1.00 24.14 O ATOM 415 CB ALA A 27 -5.813 -1.830 -6.599 1.00 45.33 C ATOM 0 H ALA A 27 -6.990 -2.681 -8.573 1.00 33.23 H new ATOM 0 HA ALA A 27 -4.531 -3.384 -7.360 1.00 55.13 H new ATOM 0 HB1 ALA A 27 -5.233 -1.683 -5.688 1.00 45.33 H new ATOM 0 HB2 ALA A 27 -5.495 -1.109 -7.352 1.00 45.33 H new ATOM 0 HB3 ALA A 27 -6.871 -1.685 -6.382 1.00 45.33 H new ATOM 421 N GLN A 28 -7.261 -4.412 -5.787 1.00 74.03 N ATOM 422 CA GLN A 28 -7.789 -5.369 -4.797 1.00 62.14 C ATOM 423 C GLN A 28 -7.587 -6.834 -5.251 1.00 4.32 C ATOM 424 O GLN A 28 -7.436 -7.723 -4.413 1.00 65.31 O ATOM 425 CB GLN A 28 -9.286 -5.075 -4.511 1.00 45.22 C ATOM 426 CG GLN A 28 -10.203 -5.165 -5.743 1.00 64.03 C ATOM 427 CD GLN A 28 -11.641 -4.732 -5.465 1.00 73.21 C ATOM 428 OE1 GLN A 28 -12.488 -5.543 -5.096 1.00 21.22 O ATOM 429 NE2 GLN A 28 -11.928 -3.447 -5.625 1.00 4.24 N ATOM 0 H GLN A 28 -7.981 -3.850 -6.241 1.00 74.03 H new ATOM 0 HA GLN A 28 -7.226 -5.240 -3.873 1.00 62.14 H new ATOM 0 HB2 GLN A 28 -9.643 -5.776 -3.757 1.00 45.22 H new ATOM 0 HB3 GLN A 28 -9.371 -4.076 -4.083 1.00 45.22 H new ATOM 0 HG2 GLN A 28 -9.792 -4.543 -6.538 1.00 64.03 H new ATOM 0 HG3 GLN A 28 -10.205 -6.191 -6.110 1.00 64.03 H new ATOM 0 HE21 GLN A 28 -11.204 -2.797 -5.932 1.00 4.24 H new ATOM 0 HE22 GLN A 28 -12.872 -3.109 -5.441 1.00 4.24 H new ATOM 438 N GLU A 29 -7.561 -7.062 -6.582 1.00 72.24 N ATOM 439 CA GLU A 29 -7.380 -8.412 -7.163 1.00 5.44 C ATOM 440 C GLU A 29 -5.976 -8.952 -6.863 1.00 12.51 C ATOM 441 O GLU A 29 -5.831 -10.069 -6.339 1.00 73.33 O ATOM 442 CB GLU A 29 -7.622 -8.406 -8.696 1.00 21.05 C ATOM 443 CG GLU A 29 -7.395 -9.775 -9.368 1.00 72.01 C ATOM 444 CD GLU A 29 -7.520 -9.744 -10.891 1.00 60.44 C ATOM 445 OE1 GLU A 29 -6.624 -9.166 -11.552 1.00 53.54 O ATOM 446 OE2 GLU A 29 -8.487 -10.323 -11.434 1.00 24.31 O ATOM 0 H GLU A 29 -7.664 -6.324 -7.279 1.00 72.24 H new ATOM 0 HA GLU A 29 -8.119 -9.065 -6.699 1.00 5.44 H new ATOM 0 HB2 GLU A 29 -8.644 -8.081 -8.892 1.00 21.05 H new ATOM 0 HB3 GLU A 29 -6.960 -7.672 -9.156 1.00 21.05 H new ATOM 0 HG2 GLU A 29 -6.403 -10.140 -9.102 1.00 72.01 H new ATOM 0 HG3 GLU A 29 -8.115 -10.489 -8.968 1.00 72.01 H new ATOM 453 N LEU A 30 -4.943 -8.146 -7.193 1.00 11.02 N ATOM 454 CA LEU A 30 -3.540 -8.548 -6.998 1.00 31.31 C ATOM 455 C LEU A 30 -3.225 -8.666 -5.496 1.00 71.41 C ATOM 456 O LEU A 30 -2.457 -9.533 -5.099 1.00 30.34 O ATOM 457 CB LEU A 30 -2.559 -7.596 -7.768 1.00 32.04 C ATOM 458 CG LEU A 30 -2.511 -6.067 -7.367 1.00 21.11 C ATOM 459 CD1 LEU A 30 -1.571 -5.800 -6.169 1.00 1.31 C ATOM 460 CD2 LEU A 30 -2.126 -5.168 -8.569 1.00 2.31 C ATOM 0 H LEU A 30 -5.058 -7.216 -7.595 1.00 11.02 H new ATOM 0 HA LEU A 30 -3.389 -9.536 -7.432 1.00 31.31 H new ATOM 0 HB2 LEU A 30 -1.552 -7.999 -7.656 1.00 32.04 H new ATOM 0 HB3 LEU A 30 -2.808 -7.652 -8.828 1.00 32.04 H new ATOM 0 HG LEU A 30 -3.522 -5.805 -7.056 1.00 21.11 H new ATOM 0 HD11 LEU A 30 -1.574 -4.736 -5.934 1.00 1.31 H new ATOM 0 HD12 LEU A 30 -1.917 -6.364 -5.303 1.00 1.31 H new ATOM 0 HD13 LEU A 30 -0.558 -6.112 -6.424 1.00 1.31 H new ATOM 0 HD21 LEU A 30 -2.104 -4.126 -8.251 1.00 2.31 H new ATOM 0 HD22 LEU A 30 -1.141 -5.456 -8.938 1.00 2.31 H new ATOM 0 HD23 LEU A 30 -2.861 -5.290 -9.365 1.00 2.31 H new ATOM 472 N LEU A 31 -3.900 -7.825 -4.678 1.00 33.33 N ATOM 473 CA LEU A 31 -3.789 -7.841 -3.199 1.00 73.54 C ATOM 474 C LEU A 31 -4.413 -9.097 -2.565 1.00 31.11 C ATOM 475 O LEU A 31 -4.262 -9.305 -1.378 1.00 2.10 O ATOM 476 CB LEU A 31 -4.417 -6.560 -2.569 1.00 3.50 C ATOM 477 CG LEU A 31 -3.612 -5.239 -2.759 1.00 61.34 C ATOM 478 CD1 LEU A 31 -4.354 -4.035 -2.141 1.00 51.15 C ATOM 479 CD2 LEU A 31 -2.193 -5.373 -2.181 1.00 14.04 C ATOM 0 H LEU A 31 -4.541 -7.112 -5.027 1.00 33.33 H new ATOM 0 HA LEU A 31 -2.721 -7.860 -2.980 1.00 73.54 H new ATOM 0 HB2 LEU A 31 -5.411 -6.420 -2.994 1.00 3.50 H new ATOM 0 HB3 LEU A 31 -4.548 -6.732 -1.501 1.00 3.50 H new ATOM 0 HG LEU A 31 -3.523 -5.055 -3.830 1.00 61.34 H new ATOM 0 HD11 LEU A 31 -3.766 -3.129 -2.291 1.00 51.15 H new ATOM 0 HD12 LEU A 31 -5.325 -3.920 -2.622 1.00 51.15 H new ATOM 0 HD13 LEU A 31 -4.495 -4.204 -1.073 1.00 51.15 H new ATOM 0 HD21 LEU A 31 -1.651 -4.438 -2.326 1.00 14.04 H new ATOM 0 HD22 LEU A 31 -2.254 -5.596 -1.116 1.00 14.04 H new ATOM 0 HD23 LEU A 31 -1.667 -6.180 -2.691 1.00 14.04 H new ATOM 491 N ASN A 32 -5.183 -9.873 -3.328 1.00 61.22 N ATOM 492 CA ASN A 32 -5.693 -11.192 -2.866 1.00 62.13 C ATOM 493 C ASN A 32 -4.661 -12.294 -3.178 1.00 43.34 C ATOM 494 O ASN A 32 -4.592 -13.319 -2.500 1.00 23.35 O ATOM 495 CB ASN A 32 -7.049 -11.492 -3.558 1.00 21.45 C ATOM 496 CG ASN A 32 -7.941 -12.513 -2.835 1.00 15.13 C ATOM 497 OD1 ASN A 32 -7.475 -13.431 -2.165 1.00 1.34 O ATOM 498 ND2 ASN A 32 -9.248 -12.363 -2.990 1.00 12.41 N ATOM 0 H ASN A 32 -5.475 -9.622 -4.273 1.00 61.22 H new ATOM 0 HA ASN A 32 -5.849 -11.168 -1.787 1.00 62.13 H new ATOM 0 HB2 ASN A 32 -7.602 -10.558 -3.659 1.00 21.45 H new ATOM 0 HB3 ASN A 32 -6.851 -11.856 -4.566 1.00 21.45 H new ATOM 0 HD21 ASN A 32 -9.893 -13.018 -2.548 1.00 12.41 H new ATOM 0 HD22 ASN A 32 -9.610 -11.592 -3.551 1.00 12.41 H new ATOM 505 N LYS A 33 -3.858 -12.046 -4.220 1.00 51.33 N ATOM 506 CA LYS A 33 -2.868 -13.001 -4.740 1.00 3.01 C ATOM 507 C LYS A 33 -1.539 -12.899 -3.970 1.00 22.51 C ATOM 508 O LYS A 33 -0.815 -13.885 -3.848 1.00 20.03 O ATOM 509 CB LYS A 33 -2.646 -12.707 -6.246 1.00 14.42 C ATOM 510 CG LYS A 33 -3.945 -12.776 -7.086 1.00 25.21 C ATOM 511 CD LYS A 33 -3.771 -12.234 -8.521 1.00 3.54 C ATOM 512 CE LYS A 33 -2.746 -13.021 -9.346 1.00 64.45 C ATOM 513 NZ LYS A 33 -2.578 -12.447 -10.710 1.00 54.41 N ATOM 0 H LYS A 33 -3.877 -11.165 -4.733 1.00 51.33 H new ATOM 0 HA LYS A 33 -3.242 -14.016 -4.608 1.00 3.01 H new ATOM 0 HB2 LYS A 33 -2.205 -11.716 -6.354 1.00 14.42 H new ATOM 0 HB3 LYS A 33 -1.926 -13.421 -6.645 1.00 14.42 H new ATOM 0 HG2 LYS A 33 -4.284 -13.811 -7.134 1.00 25.21 H new ATOM 0 HG3 LYS A 33 -4.726 -12.207 -6.582 1.00 25.21 H new ATOM 0 HD2 LYS A 33 -4.734 -12.259 -9.031 1.00 3.54 H new ATOM 0 HD3 LYS A 33 -3.463 -11.189 -8.473 1.00 3.54 H new ATOM 0 HE2 LYS A 33 -1.786 -13.020 -8.830 1.00 64.45 H new ATOM 0 HE3 LYS A 33 -3.064 -14.061 -9.425 1.00 64.45 H new ATOM 0 HZ1 LYS A 33 -1.877 -13.006 -11.238 1.00 54.41 H new ATOM 0 HZ2 LYS A 33 -3.489 -12.471 -11.211 1.00 54.41 H new ATOM 0 HZ3 LYS A 33 -2.250 -11.463 -10.635 1.00 54.41 H new ATOM 527 N ILE A 34 -1.216 -11.691 -3.467 1.00 62.51 N ATOM 528 CA ILE A 34 0.084 -11.418 -2.801 1.00 4.42 C ATOM 529 C ILE A 34 -0.110 -11.011 -1.325 1.00 40.34 C ATOM 530 O ILE A 34 0.744 -11.296 -0.499 1.00 24.34 O ATOM 531 CB ILE A 34 0.912 -10.325 -3.581 1.00 32.25 C ATOM 532 CG1 ILE A 34 0.176 -8.948 -3.583 1.00 2.33 C ATOM 533 CG2 ILE A 34 1.210 -10.797 -5.029 1.00 41.12 C ATOM 534 CD1 ILE A 34 0.806 -7.877 -4.448 1.00 11.21 C ATOM 0 H ILE A 34 -1.837 -10.883 -3.507 1.00 62.51 H new ATOM 0 HA ILE A 34 0.655 -12.346 -2.818 1.00 4.42 H new ATOM 0 HB ILE A 34 1.861 -10.189 -3.062 1.00 32.25 H new ATOM 0 HG12 ILE A 34 -0.850 -9.104 -3.917 1.00 2.33 H new ATOM 0 HG13 ILE A 34 0.126 -8.580 -2.558 1.00 2.33 H new ATOM 0 HG21 ILE A 34 1.782 -10.030 -5.551 1.00 41.12 H new ATOM 0 HG22 ILE A 34 1.786 -11.722 -4.999 1.00 41.12 H new ATOM 0 HG23 ILE A 34 0.272 -10.971 -5.555 1.00 41.12 H new ATOM 0 HD11 ILE A 34 0.219 -6.961 -4.379 1.00 11.21 H new ATOM 0 HD12 ILE A 34 1.822 -7.683 -4.105 1.00 11.21 H new ATOM 0 HD13 ILE A 34 0.831 -8.214 -5.484 1.00 11.21 H new ATOM 546 N LEU A 35 -1.221 -10.322 -1.016 1.00 64.25 N ATOM 547 CA LEU A 35 -1.616 -9.973 0.377 1.00 44.13 C ATOM 548 C LEU A 35 -2.843 -10.809 0.781 1.00 15.22 C ATOM 549 O LEU A 35 -3.346 -11.617 -0.015 1.00 10.25 O ATOM 550 CB LEU A 35 -1.899 -8.431 0.519 1.00 34.52 C ATOM 551 CG LEU A 35 -0.684 -7.498 0.878 1.00 22.54 C ATOM 552 CD1 LEU A 35 -0.252 -7.656 2.353 1.00 32.12 C ATOM 553 CD2 LEU A 35 0.513 -7.725 -0.066 1.00 43.51 C ATOM 0 H LEU A 35 -1.878 -9.986 -1.720 1.00 64.25 H new ATOM 0 HA LEU A 35 -0.792 -10.207 1.051 1.00 44.13 H new ATOM 0 HB2 LEU A 35 -2.326 -8.080 -0.420 1.00 34.52 H new ATOM 0 HB3 LEU A 35 -2.662 -8.299 1.286 1.00 34.52 H new ATOM 0 HG LEU A 35 -1.029 -6.473 0.739 1.00 22.54 H new ATOM 0 HD11 LEU A 35 0.589 -6.994 2.559 1.00 32.12 H new ATOM 0 HD12 LEU A 35 -1.085 -7.397 3.006 1.00 32.12 H new ATOM 0 HD13 LEU A 35 0.045 -8.689 2.536 1.00 32.12 H new ATOM 0 HD21 LEU A 35 1.330 -7.061 0.216 1.00 43.51 H new ATOM 0 HD22 LEU A 35 0.844 -8.761 0.009 1.00 43.51 H new ATOM 0 HD23 LEU A 35 0.212 -7.514 -1.092 1.00 43.51 H new ATOM 565 N SER A 36 -3.314 -10.621 2.019 1.00 70.44 N ATOM 566 CA SER A 36 -4.523 -11.291 2.521 1.00 71.33 C ATOM 567 C SER A 36 -5.811 -10.636 1.950 1.00 21.40 C ATOM 568 O SER A 36 -5.813 -9.435 1.640 1.00 75.13 O ATOM 569 CB SER A 36 -4.551 -11.231 4.063 1.00 3.04 C ATOM 570 OG SER A 36 -3.379 -11.784 4.623 1.00 51.05 O ATOM 0 H SER A 36 -2.872 -10.003 2.700 1.00 70.44 H new ATOM 0 HA SER A 36 -4.495 -12.330 2.192 1.00 71.33 H new ATOM 0 HB2 SER A 36 -4.656 -10.195 4.386 1.00 3.04 H new ATOM 0 HB3 SER A 36 -5.422 -11.771 4.434 1.00 3.04 H new ATOM 0 HG SER A 36 -2.939 -11.114 5.187 1.00 51.05 H new ATOM 576 N PRO A 37 -6.941 -11.416 1.822 1.00 0.02 N ATOM 577 CA PRO A 37 -8.292 -10.844 1.549 1.00 15.02 C ATOM 578 C PRO A 37 -8.735 -9.838 2.635 1.00 73.30 C ATOM 579 O PRO A 37 -9.571 -8.964 2.394 1.00 5.33 O ATOM 580 CB PRO A 37 -9.214 -12.091 1.511 1.00 32.21 C ATOM 581 CG PRO A 37 -8.288 -13.228 1.184 1.00 44.42 C ATOM 582 CD PRO A 37 -6.987 -12.901 1.882 1.00 35.11 C ATOM 0 HA PRO A 37 -8.318 -10.268 0.624 1.00 15.02 H new ATOM 0 HB2 PRO A 37 -9.712 -12.246 2.468 1.00 32.21 H new ATOM 0 HB3 PRO A 37 -9.995 -11.985 0.758 1.00 32.21 H new ATOM 0 HG2 PRO A 37 -8.693 -14.178 1.534 1.00 44.42 H new ATOM 0 HG3 PRO A 37 -8.144 -13.320 0.107 1.00 44.42 H new ATOM 0 HD2 PRO A 37 -6.978 -13.264 2.910 1.00 35.11 H new ATOM 0 HD3 PRO A 37 -6.133 -13.352 1.377 1.00 35.11 H new ATOM 590 N ASP A 38 -8.140 -9.995 3.828 1.00 4.32 N ATOM 591 CA ASP A 38 -8.340 -9.109 4.980 1.00 34.34 C ATOM 592 C ASP A 38 -7.724 -7.714 4.724 1.00 53.11 C ATOM 593 O ASP A 38 -8.318 -6.691 5.084 1.00 1.14 O ATOM 594 CB ASP A 38 -7.699 -9.744 6.248 1.00 54.15 C ATOM 595 CG ASP A 38 -8.270 -11.132 6.607 1.00 32.15 C ATOM 596 OD1 ASP A 38 -9.000 -11.260 7.621 1.00 53.55 O ATOM 597 OD2 ASP A 38 -7.983 -12.104 5.871 1.00 32.32 O ATOM 0 H ASP A 38 -7.492 -10.759 4.020 1.00 4.32 H new ATOM 0 HA ASP A 38 -9.412 -8.985 5.134 1.00 34.34 H new ATOM 0 HB2 ASP A 38 -6.624 -9.833 6.094 1.00 54.15 H new ATOM 0 HB3 ASP A 38 -7.846 -9.072 7.093 1.00 54.15 H new ATOM 602 N VAL A 39 -6.530 -7.698 4.085 1.00 1.13 N ATOM 603 CA VAL A 39 -5.775 -6.461 3.810 1.00 65.55 C ATOM 604 C VAL A 39 -6.539 -5.569 2.824 1.00 3.43 C ATOM 605 O VAL A 39 -6.875 -4.438 3.155 1.00 33.03 O ATOM 606 CB VAL A 39 -4.327 -6.765 3.259 1.00 11.23 C ATOM 607 CG1 VAL A 39 -3.571 -5.466 2.868 1.00 53.25 C ATOM 608 CG2 VAL A 39 -3.514 -7.585 4.288 1.00 54.42 C ATOM 0 H VAL A 39 -6.068 -8.542 3.748 1.00 1.13 H new ATOM 0 HA VAL A 39 -5.666 -5.933 4.757 1.00 65.55 H new ATOM 0 HB VAL A 39 -4.440 -7.358 2.352 1.00 11.23 H new ATOM 0 HG11 VAL A 39 -2.579 -5.721 2.494 1.00 53.25 H new ATOM 0 HG12 VAL A 39 -4.128 -4.941 2.092 1.00 53.25 H new ATOM 0 HG13 VAL A 39 -3.475 -4.824 3.743 1.00 53.25 H new ATOM 0 HG21 VAL A 39 -2.519 -7.784 3.890 1.00 54.42 H new ATOM 0 HG22 VAL A 39 -3.427 -7.020 5.216 1.00 54.42 H new ATOM 0 HG23 VAL A 39 -4.022 -8.529 4.484 1.00 54.42 H new ATOM 618 N LEU A 40 -6.850 -6.112 1.632 1.00 21.40 N ATOM 619 CA LEU A 40 -7.530 -5.350 0.551 1.00 51.42 C ATOM 620 C LEU A 40 -8.891 -4.778 1.003 1.00 3.50 C ATOM 621 O LEU A 40 -9.351 -3.754 0.484 1.00 53.21 O ATOM 622 CB LEU A 40 -7.700 -6.251 -0.704 1.00 11.24 C ATOM 623 CG LEU A 40 -8.493 -7.603 -0.507 1.00 33.00 C ATOM 624 CD1 LEU A 40 -10.023 -7.455 -0.664 1.00 33.13 C ATOM 625 CD2 LEU A 40 -7.972 -8.699 -1.430 1.00 55.31 C ATOM 0 H LEU A 40 -6.643 -7.080 1.386 1.00 21.40 H new ATOM 0 HA LEU A 40 -6.899 -4.497 0.300 1.00 51.42 H new ATOM 0 HB2 LEU A 40 -8.206 -5.669 -1.474 1.00 11.24 H new ATOM 0 HB3 LEU A 40 -6.708 -6.491 -1.087 1.00 11.24 H new ATOM 0 HG LEU A 40 -8.311 -7.893 0.528 1.00 33.00 H new ATOM 0 HD11 LEU A 40 -10.499 -8.424 -0.515 1.00 33.13 H new ATOM 0 HD12 LEU A 40 -10.398 -6.749 0.077 1.00 33.13 H new ATOM 0 HD13 LEU A 40 -10.252 -7.088 -1.664 1.00 33.13 H new ATOM 0 HD21 LEU A 40 -8.541 -9.614 -1.266 1.00 55.31 H new ATOM 0 HD22 LEU A 40 -8.082 -8.384 -2.468 1.00 55.31 H new ATOM 0 HD23 LEU A 40 -6.919 -8.884 -1.217 1.00 55.31 H new ATOM 637 N ASP A 41 -9.508 -5.462 1.985 1.00 72.01 N ATOM 638 CA ASP A 41 -10.847 -5.137 2.488 1.00 42.44 C ATOM 639 C ASP A 41 -10.790 -3.970 3.494 1.00 34.25 C ATOM 640 O ASP A 41 -11.648 -3.080 3.471 1.00 53.32 O ATOM 641 CB ASP A 41 -11.497 -6.395 3.123 1.00 11.13 C ATOM 642 CG ASP A 41 -12.972 -6.180 3.506 1.00 44.52 C ATOM 643 OD1 ASP A 41 -13.261 -5.857 4.681 1.00 44.12 O ATOM 644 OD2 ASP A 41 -13.847 -6.344 2.623 1.00 73.31 O ATOM 0 H ASP A 41 -9.083 -6.263 2.453 1.00 72.01 H new ATOM 0 HA ASP A 41 -11.466 -4.816 1.650 1.00 42.44 H new ATOM 0 HB2 ASP A 41 -11.427 -7.227 2.422 1.00 11.13 H new ATOM 0 HB3 ASP A 41 -10.934 -6.679 4.012 1.00 11.13 H new ATOM 649 N GLN A 42 -9.774 -3.968 4.379 1.00 53.41 N ATOM 650 CA GLN A 42 -9.564 -2.852 5.331 1.00 61.03 C ATOM 651 C GLN A 42 -8.987 -1.620 4.605 1.00 72.24 C ATOM 652 O GLN A 42 -9.224 -0.483 5.014 1.00 44.43 O ATOM 653 CB GLN A 42 -8.661 -3.284 6.526 1.00 42.01 C ATOM 654 CG GLN A 42 -7.187 -3.583 6.176 1.00 74.52 C ATOM 655 CD GLN A 42 -6.346 -4.069 7.364 1.00 4.41 C ATOM 656 OE1 GLN A 42 -6.844 -4.739 8.273 1.00 63.21 O ATOM 657 NE2 GLN A 42 -5.065 -3.725 7.375 1.00 41.31 N ATOM 0 H GLN A 42 -9.089 -4.719 4.457 1.00 53.41 H new ATOM 0 HA GLN A 42 -10.534 -2.576 5.745 1.00 61.03 H new ATOM 0 HB2 GLN A 42 -8.684 -2.496 7.279 1.00 42.01 H new ATOM 0 HB3 GLN A 42 -9.095 -4.174 6.983 1.00 42.01 H new ATOM 0 HG2 GLN A 42 -7.157 -4.338 5.391 1.00 74.52 H new ATOM 0 HG3 GLN A 42 -6.732 -2.681 5.768 1.00 74.52 H new ATOM 0 HE21 GLN A 42 -4.679 -3.171 6.611 1.00 41.31 H new ATOM 0 HE22 GLN A 42 -4.466 -4.015 8.148 1.00 41.31 H new ATOM 666 N VAL A 43 -8.255 -1.879 3.509 1.00 24.42 N ATOM 667 CA VAL A 43 -7.653 -0.844 2.654 1.00 32.12 C ATOM 668 C VAL A 43 -8.736 -0.126 1.819 1.00 2.21 C ATOM 669 O VAL A 43 -8.707 1.109 1.690 1.00 20.34 O ATOM 670 CB VAL A 43 -6.522 -1.480 1.739 1.00 4.53 C ATOM 671 CG1 VAL A 43 -6.132 -0.587 0.548 1.00 24.54 C ATOM 672 CG2 VAL A 43 -5.266 -1.824 2.583 1.00 65.12 C ATOM 0 H VAL A 43 -8.062 -2.828 3.188 1.00 24.42 H new ATOM 0 HA VAL A 43 -7.184 -0.090 3.286 1.00 32.12 H new ATOM 0 HB VAL A 43 -6.944 -2.394 1.322 1.00 4.53 H new ATOM 0 HG11 VAL A 43 -5.355 -1.079 -0.037 1.00 24.54 H new ATOM 0 HG12 VAL A 43 -7.006 -0.416 -0.080 1.00 24.54 H new ATOM 0 HG13 VAL A 43 -5.758 0.368 0.917 1.00 24.54 H new ATOM 0 HG21 VAL A 43 -4.502 -2.259 1.938 1.00 65.12 H new ATOM 0 HG22 VAL A 43 -4.878 -0.916 3.044 1.00 65.12 H new ATOM 0 HG23 VAL A 43 -5.535 -2.539 3.360 1.00 65.12 H new ATOM 682 N ARG A 44 -9.717 -0.891 1.289 1.00 54.02 N ATOM 683 CA ARG A 44 -10.794 -0.312 0.455 1.00 70.13 C ATOM 684 C ARG A 44 -11.730 0.577 1.298 1.00 62.51 C ATOM 685 O ARG A 44 -12.298 1.534 0.787 1.00 20.35 O ATOM 686 CB ARG A 44 -11.622 -1.403 -0.293 1.00 12.33 C ATOM 687 CG ARG A 44 -12.583 -2.231 0.598 1.00 43.41 C ATOM 688 CD ARG A 44 -13.477 -3.198 -0.192 1.00 30.33 C ATOM 689 NE ARG A 44 -12.715 -4.193 -0.961 1.00 71.11 N ATOM 690 CZ ARG A 44 -13.243 -5.279 -1.556 1.00 15.01 C ATOM 691 NH1 ARG A 44 -14.553 -5.551 -1.482 1.00 34.34 N ATOM 692 NH2 ARG A 44 -12.453 -6.088 -2.237 1.00 45.14 N ATOM 0 H ARG A 44 -9.785 -1.900 1.422 1.00 54.02 H new ATOM 0 HA ARG A 44 -10.303 0.303 -0.300 1.00 70.13 H new ATOM 0 HB2 ARG A 44 -12.205 -0.919 -1.077 1.00 12.33 H new ATOM 0 HB3 ARG A 44 -10.930 -2.086 -0.786 1.00 12.33 H new ATOM 0 HG2 ARG A 44 -11.996 -2.800 1.319 1.00 43.41 H new ATOM 0 HG3 ARG A 44 -13.215 -1.549 1.168 1.00 43.41 H new ATOM 0 HD2 ARG A 44 -14.143 -3.715 0.500 1.00 30.33 H new ATOM 0 HD3 ARG A 44 -14.107 -2.626 -0.873 1.00 30.33 H new ATOM 0 HE ARG A 44 -11.709 -4.049 -1.050 1.00 71.11 H new ATOM 0 HH11 ARG A 44 -15.175 -4.929 -0.966 1.00 34.34 H new ATOM 0 HH12 ARG A 44 -14.928 -6.381 -1.942 1.00 34.34 H new ATOM 0 HH21 ARG A 44 -11.456 -5.887 -2.307 1.00 45.14 H new ATOM 0 HH22 ARG A 44 -12.840 -6.914 -2.693 1.00 45.14 H new ATOM 706 N GLU A 45 -11.894 0.241 2.596 1.00 75.42 N ATOM 707 CA GLU A 45 -12.722 1.034 3.532 1.00 25.22 C ATOM 708 C GLU A 45 -11.915 2.200 4.134 1.00 21.22 C ATOM 709 O GLU A 45 -12.489 3.239 4.491 1.00 50.23 O ATOM 710 CB GLU A 45 -13.331 0.127 4.632 1.00 72.31 C ATOM 711 CG GLU A 45 -14.311 -0.938 4.080 1.00 14.33 C ATOM 712 CD GLU A 45 -15.100 -1.664 5.180 1.00 51.11 C ATOM 713 OE1 GLU A 45 -16.226 -1.226 5.514 1.00 4.11 O ATOM 714 OE2 GLU A 45 -14.597 -2.658 5.737 1.00 3.44 O ATOM 0 H GLU A 45 -11.461 -0.579 3.022 1.00 75.42 H new ATOM 0 HA GLU A 45 -13.549 1.470 2.972 1.00 25.22 H new ATOM 0 HB2 GLU A 45 -12.524 -0.375 5.166 1.00 72.31 H new ATOM 0 HB3 GLU A 45 -13.854 0.750 5.357 1.00 72.31 H new ATOM 0 HG2 GLU A 45 -15.011 -0.458 3.396 1.00 14.33 H new ATOM 0 HG3 GLU A 45 -13.751 -1.671 3.500 1.00 14.33 H new ATOM 721 N HIS A 46 -10.574 2.034 4.203 1.00 60.24 N ATOM 722 CA HIS A 46 -9.646 3.119 4.603 1.00 73.31 C ATOM 723 C HIS A 46 -9.646 4.240 3.548 1.00 62.32 C ATOM 724 O HIS A 46 -9.373 5.408 3.855 1.00 20.33 O ATOM 725 CB HIS A 46 -8.205 2.574 4.796 1.00 73.42 C ATOM 726 CG HIS A 46 -7.224 3.590 5.319 1.00 61.42 C ATOM 727 ND1 HIS A 46 -6.533 4.458 4.505 1.00 74.03 N ATOM 728 CD2 HIS A 46 -6.814 3.866 6.575 1.00 44.41 C ATOM 729 CE1 HIS A 46 -5.752 5.220 5.241 1.00 34.20 C ATOM 730 NE2 HIS A 46 -5.903 4.880 6.494 1.00 64.22 N ATOM 0 H HIS A 46 -10.107 1.153 3.985 1.00 60.24 H new ATOM 0 HA HIS A 46 -9.992 3.525 5.554 1.00 73.31 H new ATOM 0 HB2 HIS A 46 -8.237 1.729 5.484 1.00 73.42 H new ATOM 0 HB3 HIS A 46 -7.842 2.193 3.841 1.00 73.42 H new ATOM 0 HD2 HIS A 46 -7.146 3.375 7.478 1.00 44.41 H new ATOM 0 HE1 HIS A 46 -5.097 5.995 4.872 1.00 34.20 H new ATOM 0 HE2 HIS A 46 -5.418 5.304 7.285 1.00 64.22 H new ATOM 739 N ALA A 47 -9.955 3.847 2.309 1.00 70.50 N ATOM 740 CA ALA A 47 -10.108 4.754 1.175 1.00 45.52 C ATOM 741 C ALA A 47 -11.218 5.777 1.410 1.00 24.53 C ATOM 742 O ALA A 47 -11.062 6.947 1.074 1.00 20.43 O ATOM 743 CB ALA A 47 -10.424 3.945 -0.067 1.00 45.34 C ATOM 0 H ALA A 47 -10.108 2.869 2.064 1.00 70.50 H new ATOM 0 HA ALA A 47 -9.173 5.300 1.050 1.00 45.52 H new ATOM 0 HB1 ALA A 47 -10.540 4.616 -0.918 1.00 45.34 H new ATOM 0 HB2 ALA A 47 -9.610 3.247 -0.263 1.00 45.34 H new ATOM 0 HB3 ALA A 47 -11.350 3.390 0.086 1.00 45.34 H new ATOM 749 N ARG A 48 -12.333 5.302 1.999 1.00 15.12 N ATOM 750 CA ARG A 48 -13.508 6.142 2.281 1.00 1.22 C ATOM 751 C ARG A 48 -13.183 7.237 3.306 1.00 31.54 C ATOM 752 O ARG A 48 -13.747 8.318 3.231 1.00 23.31 O ATOM 753 CB ARG A 48 -14.714 5.294 2.772 1.00 65.01 C ATOM 754 CG ARG A 48 -15.512 4.579 1.652 1.00 44.20 C ATOM 755 CD ARG A 48 -14.734 3.460 0.947 1.00 1.30 C ATOM 756 NE ARG A 48 -15.537 2.781 -0.087 1.00 12.31 N ATOM 757 CZ ARG A 48 -15.684 1.451 -0.209 1.00 32.13 C ATOM 758 NH1 ARG A 48 -15.090 0.616 0.641 1.00 53.41 N ATOM 759 NH2 ARG A 48 -16.422 0.963 -1.195 1.00 14.44 N ATOM 0 H ARG A 48 -12.442 4.331 2.290 1.00 15.12 H new ATOM 0 HA ARG A 48 -13.786 6.620 1.342 1.00 1.22 H new ATOM 0 HB2 ARG A 48 -14.349 4.543 3.473 1.00 65.01 H new ATOM 0 HB3 ARG A 48 -15.394 5.943 3.324 1.00 65.01 H new ATOM 0 HG2 ARG A 48 -16.423 4.160 2.080 1.00 44.20 H new ATOM 0 HG3 ARG A 48 -15.818 5.317 0.911 1.00 44.20 H new ATOM 0 HD2 ARG A 48 -13.837 3.877 0.490 1.00 1.30 H new ATOM 0 HD3 ARG A 48 -14.405 2.729 1.686 1.00 1.30 H new ATOM 0 HE ARG A 48 -16.021 3.369 -0.765 1.00 12.31 H new ATOM 0 HH11 ARG A 48 -14.514 0.984 1.398 1.00 53.41 H new ATOM 0 HH12 ARG A 48 -15.211 -0.391 0.535 1.00 53.41 H new ATOM 0 HH21 ARG A 48 -16.874 1.596 -1.855 1.00 14.44 H new ATOM 0 HH22 ARG A 48 -16.538 -0.046 -1.294 1.00 14.44 H new ATOM 773 N GLU A 49 -12.258 6.937 4.238 1.00 5.43 N ATOM 774 CA GLU A 49 -11.801 7.897 5.265 1.00 14.43 C ATOM 775 C GLU A 49 -11.130 9.120 4.600 1.00 61.33 C ATOM 776 O GLU A 49 -11.409 10.270 4.943 1.00 71.35 O ATOM 777 CB GLU A 49 -10.809 7.210 6.249 1.00 11.01 C ATOM 778 CG GLU A 49 -11.378 5.974 6.976 1.00 52.20 C ATOM 779 CD GLU A 49 -10.377 5.344 7.964 1.00 71.43 C ATOM 780 OE1 GLU A 49 -10.074 5.983 8.996 1.00 12.32 O ATOM 781 OE2 GLU A 49 -9.888 4.215 7.725 1.00 51.25 O ATOM 0 H GLU A 49 -11.806 6.025 4.301 1.00 5.43 H new ATOM 0 HA GLU A 49 -12.670 8.238 5.827 1.00 14.43 H new ATOM 0 HB2 GLU A 49 -9.918 6.912 5.697 1.00 11.01 H new ATOM 0 HB3 GLU A 49 -10.493 7.940 6.994 1.00 11.01 H new ATOM 0 HG2 GLU A 49 -12.281 6.260 7.515 1.00 52.20 H new ATOM 0 HG3 GLU A 49 -11.670 5.227 6.238 1.00 52.20 H new ATOM 788 N LEU A 50 -10.282 8.833 3.606 1.00 11.42 N ATOM 789 CA LEU A 50 -9.477 9.835 2.885 1.00 42.23 C ATOM 790 C LEU A 50 -10.321 10.585 1.844 1.00 20.12 C ATOM 791 O LEU A 50 -10.141 11.786 1.641 1.00 54.14 O ATOM 792 CB LEU A 50 -8.288 9.105 2.217 1.00 73.14 C ATOM 793 CG LEU A 50 -7.372 8.331 3.214 1.00 70.04 C ATOM 794 CD1 LEU A 50 -6.445 7.359 2.478 1.00 63.50 C ATOM 795 CD2 LEU A 50 -6.574 9.306 4.105 1.00 31.34 C ATOM 0 H LEU A 50 -10.131 7.881 3.271 1.00 11.42 H new ATOM 0 HA LEU A 50 -9.108 10.584 3.585 1.00 42.23 H new ATOM 0 HB2 LEU A 50 -8.675 8.404 1.478 1.00 73.14 H new ATOM 0 HB3 LEU A 50 -7.684 9.835 1.678 1.00 73.14 H new ATOM 0 HG LEU A 50 -8.014 7.738 3.865 1.00 70.04 H new ATOM 0 HD11 LEU A 50 -5.819 6.835 3.201 1.00 63.50 H new ATOM 0 HD12 LEU A 50 -7.043 6.636 1.923 1.00 63.50 H new ATOM 0 HD13 LEU A 50 -5.812 7.914 1.785 1.00 63.50 H new ATOM 0 HD21 LEU A 50 -5.944 8.740 4.791 1.00 31.34 H new ATOM 0 HD22 LEU A 50 -5.949 9.942 3.479 1.00 31.34 H new ATOM 0 HD23 LEU A 50 -7.265 9.926 4.676 1.00 31.34 H new ATOM 807 N GLN A 51 -11.253 9.857 1.212 1.00 41.02 N ATOM 808 CA GLN A 51 -12.150 10.393 0.170 1.00 1.24 C ATOM 809 C GLN A 51 -13.225 11.304 0.809 1.00 3.01 C ATOM 810 O GLN A 51 -13.682 12.271 0.193 1.00 22.20 O ATOM 811 CB GLN A 51 -12.797 9.219 -0.618 1.00 62.54 C ATOM 812 CG GLN A 51 -13.630 9.640 -1.838 1.00 42.41 C ATOM 813 CD GLN A 51 -14.185 8.453 -2.625 1.00 42.34 C ATOM 814 OE1 GLN A 51 -15.290 7.981 -2.365 1.00 64.43 O ATOM 815 NE2 GLN A 51 -13.414 7.944 -3.576 1.00 32.14 N ATOM 0 H GLN A 51 -11.409 8.869 1.410 1.00 41.02 H new ATOM 0 HA GLN A 51 -11.575 10.999 -0.530 1.00 1.24 H new ATOM 0 HB2 GLN A 51 -12.007 8.545 -0.951 1.00 62.54 H new ATOM 0 HB3 GLN A 51 -13.434 8.653 0.061 1.00 62.54 H new ATOM 0 HG2 GLN A 51 -14.458 10.267 -1.506 1.00 42.41 H new ATOM 0 HG3 GLN A 51 -13.013 10.249 -2.498 1.00 42.41 H new ATOM 0 HE21 GLN A 51 -12.502 8.358 -3.769 1.00 32.14 H new ATOM 0 HE22 GLN A 51 -13.733 7.139 -4.115 1.00 32.14 H new ATOM 824 N LYS A 52 -13.582 10.981 2.069 1.00 43.03 N ATOM 825 CA LYS A 52 -14.485 11.792 2.925 1.00 33.41 C ATOM 826 C LYS A 52 -13.869 13.184 3.182 1.00 53.32 C ATOM 827 O LYS A 52 -14.568 14.195 3.240 1.00 62.14 O ATOM 828 CB LYS A 52 -14.713 11.035 4.263 1.00 62.21 C ATOM 829 CG LYS A 52 -15.683 11.693 5.262 1.00 62.11 C ATOM 830 CD LYS A 52 -15.827 10.858 6.561 1.00 61.54 C ATOM 831 CE LYS A 52 -16.815 11.470 7.565 1.00 21.23 C ATOM 832 NZ LYS A 52 -16.370 12.800 8.062 1.00 33.50 N ATOM 0 H LYS A 52 -13.248 10.136 2.532 1.00 43.03 H new ATOM 0 HA LYS A 52 -15.442 11.938 2.423 1.00 33.41 H new ATOM 0 HB2 LYS A 52 -15.085 10.037 4.032 1.00 62.21 H new ATOM 0 HB3 LYS A 52 -13.748 10.910 4.754 1.00 62.21 H new ATOM 0 HG2 LYS A 52 -15.326 12.693 5.510 1.00 62.11 H new ATOM 0 HG3 LYS A 52 -16.661 11.810 4.795 1.00 62.11 H new ATOM 0 HD2 LYS A 52 -16.157 9.851 6.304 1.00 61.54 H new ATOM 0 HD3 LYS A 52 -14.850 10.762 7.034 1.00 61.54 H new ATOM 0 HE2 LYS A 52 -17.792 11.570 7.093 1.00 21.23 H new ATOM 0 HE3 LYS A 52 -16.937 10.792 8.410 1.00 21.23 H new ATOM 0 HZ1 LYS A 52 -17.053 13.155 8.761 1.00 33.50 H new ATOM 0 HZ2 LYS A 52 -15.434 12.709 8.507 1.00 33.50 H new ATOM 0 HZ3 LYS A 52 -16.312 13.466 7.266 1.00 33.50 H new ATOM 846 N GLN A 53 -12.537 13.196 3.321 1.00 44.22 N ATOM 847 CA GLN A 53 -11.738 14.421 3.515 1.00 2.01 C ATOM 848 C GLN A 53 -11.391 15.075 2.162 1.00 1.54 C ATOM 849 O GLN A 53 -11.067 16.266 2.106 1.00 15.44 O ATOM 850 CB GLN A 53 -10.448 14.065 4.292 1.00 32.23 C ATOM 851 CG GLN A 53 -10.700 13.383 5.649 1.00 62.32 C ATOM 852 CD GLN A 53 -9.419 12.898 6.327 1.00 45.14 C ATOM 853 OE1 GLN A 53 -8.797 13.622 7.104 1.00 23.31 O ATOM 854 NE2 GLN A 53 -8.998 11.680 6.013 1.00 20.32 N ATOM 0 H GLN A 53 -11.973 12.346 3.302 1.00 44.22 H new ATOM 0 HA GLN A 53 -12.323 15.141 4.088 1.00 2.01 H new ATOM 0 HB2 GLN A 53 -9.835 13.408 3.675 1.00 32.23 H new ATOM 0 HB3 GLN A 53 -9.873 14.976 4.457 1.00 32.23 H new ATOM 0 HG2 GLN A 53 -11.211 14.083 6.311 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -11.370 12.535 5.503 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -9.537 11.105 5.365 1.00 20.32 H new ATOM 0 HE22 GLN A 53 -8.135 11.318 6.419 1.00 20.32 H new ATOM 863 N GLY A 54 -11.454 14.268 1.084 1.00 64.01 N ATOM 864 CA GLY A 54 -11.133 14.723 -0.269 1.00 11.05 C ATOM 865 C GLY A 54 -9.635 14.806 -0.535 1.00 52.22 C ATOM 866 O GLY A 54 -9.208 15.530 -1.434 1.00 12.12 O ATOM 0 H GLY A 54 -11.729 13.287 1.134 1.00 64.01 H new ATOM 0 HA2 GLY A 54 -11.587 14.044 -0.991 1.00 11.05 H new ATOM 0 HA3 GLY A 54 -11.579 15.704 -0.431 1.00 11.05 H new ATOM 870 N ILE A 55 -8.839 14.079 0.268 1.00 42.31 N ATOM 871 CA ILE A 55 -7.373 14.064 0.155 1.00 24.21 C ATOM 872 C ILE A 55 -6.937 13.085 -0.950 1.00 11.00 C ATOM 873 O ILE A 55 -6.939 11.861 -0.749 1.00 13.13 O ATOM 874 CB ILE A 55 -6.675 13.677 1.521 1.00 41.51 C ATOM 875 CG1 ILE A 55 -7.147 14.632 2.661 1.00 50.31 C ATOM 876 CG2 ILE A 55 -5.125 13.693 1.384 1.00 73.04 C ATOM 877 CD1 ILE A 55 -6.589 14.312 4.041 1.00 24.11 C ATOM 0 H ILE A 55 -9.197 13.484 1.015 1.00 42.31 H new ATOM 0 HA ILE A 55 -7.057 15.075 -0.103 1.00 24.21 H new ATOM 0 HB ILE A 55 -6.971 12.660 1.780 1.00 41.51 H new ATOM 0 HG12 ILE A 55 -6.866 15.652 2.400 1.00 50.31 H new ATOM 0 HG13 ILE A 55 -8.236 14.604 2.710 1.00 50.31 H new ATOM 0 HG21 ILE A 55 -4.673 13.423 2.338 1.00 73.04 H new ATOM 0 HG22 ILE A 55 -4.820 12.976 0.622 1.00 73.04 H new ATOM 0 HG23 ILE A 55 -4.796 14.691 1.096 1.00 73.04 H new ATOM 0 HD11 ILE A 55 -6.974 15.030 4.765 1.00 24.11 H new ATOM 0 HD12 ILE A 55 -6.892 13.306 4.332 1.00 24.11 H new ATOM 0 HD13 ILE A 55 -5.501 14.370 4.016 1.00 24.11 H new ATOM 889 N HIS A 56 -6.615 13.628 -2.134 1.00 52.44 N ATOM 890 CA HIS A 56 -5.986 12.858 -3.213 1.00 43.32 C ATOM 891 C HIS A 56 -4.460 13.001 -3.113 1.00 74.35 C ATOM 892 O HIS A 56 -3.924 14.078 -3.334 1.00 74.30 O ATOM 893 CB HIS A 56 -6.476 13.338 -4.617 1.00 25.21 C ATOM 894 CG HIS A 56 -5.638 12.808 -5.760 1.00 21.12 C ATOM 895 ND1 HIS A 56 -4.914 13.619 -6.612 1.00 2.51 N ATOM 896 CD2 HIS A 56 -5.370 11.540 -6.146 1.00 3.35 C ATOM 897 CE1 HIS A 56 -4.231 12.869 -7.455 1.00 35.45 C ATOM 898 NE2 HIS A 56 -4.488 11.606 -7.194 1.00 32.23 N ATOM 0 H HIS A 56 -6.783 14.607 -2.368 1.00 52.44 H new ATOM 0 HA HIS A 56 -6.270 11.812 -3.102 1.00 43.32 H new ATOM 0 HB2 HIS A 56 -7.510 13.025 -4.759 1.00 25.21 H new ATOM 0 HB3 HIS A 56 -6.466 14.428 -4.644 1.00 25.21 H new ATOM 0 HD2 HIS A 56 -5.776 10.640 -5.709 1.00 3.35 H new ATOM 0 HE1 HIS A 56 -3.571 13.231 -8.230 1.00 35.45 H new ATOM 0 HE2 HIS A 56 -4.095 10.806 -7.690 1.00 32.23 H new ATOM 907 N PHE A 57 -3.775 11.907 -2.796 1.00 75.04 N ATOM 908 CA PHE A 57 -2.309 11.822 -2.901 1.00 60.12 C ATOM 909 C PHE A 57 -1.944 10.971 -4.110 1.00 1.33 C ATOM 910 O PHE A 57 -2.769 10.170 -4.591 1.00 55.32 O ATOM 911 CB PHE A 57 -1.676 11.261 -1.601 1.00 42.13 C ATOM 912 CG PHE A 57 -2.433 10.100 -0.967 1.00 43.23 C ATOM 913 CD1 PHE A 57 -2.365 8.817 -1.506 1.00 52.41 C ATOM 914 CD2 PHE A 57 -3.218 10.303 0.171 1.00 2.31 C ATOM 915 CE1 PHE A 57 -3.055 7.776 -0.934 1.00 24.32 C ATOM 916 CE2 PHE A 57 -3.904 9.258 0.739 1.00 50.34 C ATOM 917 CZ PHE A 57 -3.819 7.998 0.184 1.00 0.45 C ATOM 0 H PHE A 57 -4.214 11.050 -2.458 1.00 75.04 H new ATOM 0 HA PHE A 57 -1.904 12.825 -3.035 1.00 60.12 H new ATOM 0 HB2 PHE A 57 -0.659 10.936 -1.821 1.00 42.13 H new ATOM 0 HB3 PHE A 57 -1.602 12.068 -0.873 1.00 42.13 H new ATOM 0 HD1 PHE A 57 -1.762 8.639 -2.384 1.00 52.41 H new ATOM 0 HD2 PHE A 57 -3.286 11.289 0.607 1.00 2.31 H new ATOM 0 HE1 PHE A 57 -2.996 6.786 -1.363 1.00 24.32 H new ATOM 0 HE2 PHE A 57 -4.509 9.422 1.619 1.00 50.34 H new ATOM 0 HZ PHE A 57 -4.359 7.178 0.634 1.00 0.45 H new ATOM 927 N GLU A 58 -0.710 11.138 -4.592 1.00 31.31 N ATOM 928 CA GLU A 58 -0.241 10.442 -5.789 1.00 23.44 C ATOM 929 C GLU A 58 1.140 9.835 -5.535 1.00 44.11 C ATOM 930 O GLU A 58 2.019 10.507 -4.987 1.00 11.43 O ATOM 931 CB GLU A 58 -0.233 11.411 -7.008 1.00 30.20 C ATOM 932 CG GLU A 58 -0.195 10.709 -8.381 1.00 11.15 C ATOM 933 CD GLU A 58 -1.300 9.639 -8.520 1.00 11.34 C ATOM 934 OE1 GLU A 58 -1.003 8.440 -8.303 1.00 13.43 O ATOM 935 OE2 GLU A 58 -2.472 9.991 -8.796 1.00 61.52 O ATOM 0 H GLU A 58 -0.016 11.753 -4.168 1.00 31.31 H new ATOM 0 HA GLU A 58 -0.924 9.626 -6.024 1.00 23.44 H new ATOM 0 HB2 GLU A 58 -1.121 12.042 -6.961 1.00 30.20 H new ATOM 0 HB3 GLU A 58 0.631 12.070 -6.927 1.00 30.20 H new ATOM 0 HG2 GLU A 58 -0.310 11.452 -9.170 1.00 11.15 H new ATOM 0 HG3 GLU A 58 0.780 10.242 -8.522 1.00 11.15 H new ATOM 942 N VAL A 59 1.294 8.558 -5.936 1.00 13.33 N ATOM 943 CA VAL A 59 2.519 7.769 -5.732 1.00 32.11 C ATOM 944 C VAL A 59 3.643 8.300 -6.638 1.00 73.50 C ATOM 945 O VAL A 59 3.653 8.028 -7.842 1.00 22.33 O ATOM 946 CB VAL A 59 2.252 6.237 -6.032 1.00 54.11 C ATOM 947 CG1 VAL A 59 3.523 5.382 -5.827 1.00 24.02 C ATOM 948 CG2 VAL A 59 1.081 5.693 -5.184 1.00 5.10 C ATOM 0 H VAL A 59 0.559 8.040 -6.417 1.00 13.33 H new ATOM 0 HA VAL A 59 2.826 7.866 -4.691 1.00 32.11 H new ATOM 0 HB VAL A 59 1.971 6.162 -7.083 1.00 54.11 H new ATOM 0 HG11 VAL A 59 3.298 4.338 -6.043 1.00 24.02 H new ATOM 0 HG12 VAL A 59 4.308 5.730 -6.498 1.00 24.02 H new ATOM 0 HG13 VAL A 59 3.861 5.474 -4.795 1.00 24.02 H new ATOM 0 HG21 VAL A 59 0.924 4.639 -5.414 1.00 5.10 H new ATOM 0 HG22 VAL A 59 1.317 5.802 -4.125 1.00 5.10 H new ATOM 0 HG23 VAL A 59 0.175 6.253 -5.413 1.00 5.10 H new ATOM 958 N LYS A 60 4.572 9.076 -6.061 1.00 20.00 N ATOM 959 CA LYS A 60 5.654 9.717 -6.831 1.00 34.14 C ATOM 960 C LYS A 60 6.891 8.815 -6.919 1.00 21.02 C ATOM 961 O LYS A 60 7.360 8.484 -8.015 1.00 52.11 O ATOM 962 CB LYS A 60 6.030 11.087 -6.196 1.00 52.25 C ATOM 963 CG LYS A 60 4.899 12.145 -6.212 1.00 3.44 C ATOM 964 CD LYS A 60 4.371 12.464 -7.633 1.00 73.53 C ATOM 965 CE LYS A 60 5.476 12.918 -8.618 1.00 2.23 C ATOM 966 NZ LYS A 60 6.197 14.136 -8.159 1.00 33.24 N ATOM 0 H LYS A 60 4.598 9.277 -5.061 1.00 20.00 H new ATOM 0 HA LYS A 60 5.289 9.882 -7.845 1.00 34.14 H new ATOM 0 HB2 LYS A 60 6.337 10.920 -5.164 1.00 52.25 H new ATOM 0 HB3 LYS A 60 6.893 11.491 -6.724 1.00 52.25 H new ATOM 0 HG2 LYS A 60 4.072 11.790 -5.597 1.00 3.44 H new ATOM 0 HG3 LYS A 60 5.265 13.064 -5.754 1.00 3.44 H new ATOM 0 HD2 LYS A 60 3.879 11.579 -8.036 1.00 73.53 H new ATOM 0 HD3 LYS A 60 3.615 13.246 -7.563 1.00 73.53 H new ATOM 0 HE2 LYS A 60 6.192 12.107 -8.752 1.00 2.23 H new ATOM 0 HE3 LYS A 60 5.029 13.112 -9.593 1.00 2.23 H new ATOM 0 HZ1 LYS A 60 6.182 14.853 -8.912 1.00 33.24 H new ATOM 0 HZ2 LYS A 60 5.731 14.516 -7.310 1.00 33.24 H new ATOM 0 HZ3 LYS A 60 7.182 13.892 -7.933 1.00 33.24 H new ATOM 980 N ARG A 61 7.388 8.389 -5.760 1.00 11.55 N ATOM 981 CA ARG A 61 8.706 7.741 -5.647 1.00 41.10 C ATOM 982 C ARG A 61 8.583 6.482 -4.788 1.00 73.14 C ATOM 983 O ARG A 61 8.144 6.563 -3.659 1.00 45.22 O ATOM 984 CB ARG A 61 9.700 8.770 -5.026 1.00 61.15 C ATOM 985 CG ARG A 61 11.102 8.219 -4.703 1.00 60.14 C ATOM 986 CD ARG A 61 12.094 9.307 -4.256 1.00 21.20 C ATOM 987 NE ARG A 61 13.356 8.711 -3.794 1.00 63.32 N ATOM 988 CZ ARG A 61 14.573 9.268 -3.866 1.00 51.22 C ATOM 989 NH1 ARG A 61 14.752 10.476 -4.396 1.00 2.35 N ATOM 990 NH2 ARG A 61 15.622 8.601 -3.404 1.00 31.44 N ATOM 0 H ARG A 61 6.895 8.480 -4.871 1.00 11.55 H new ATOM 0 HA ARG A 61 9.080 7.435 -6.624 1.00 41.10 H new ATOM 0 HB2 ARG A 61 9.807 9.608 -5.715 1.00 61.15 H new ATOM 0 HB3 ARG A 61 9.263 9.165 -4.109 1.00 61.15 H new ATOM 0 HG2 ARG A 61 11.018 7.468 -3.917 1.00 60.14 H new ATOM 0 HG3 ARG A 61 11.499 7.715 -5.584 1.00 60.14 H new ATOM 0 HD2 ARG A 61 12.291 9.987 -5.085 1.00 21.20 H new ATOM 0 HD3 ARG A 61 11.653 9.900 -3.455 1.00 21.20 H new ATOM 0 HE ARG A 61 13.300 7.782 -3.377 1.00 63.32 H new ATOM 0 HH11 ARG A 61 13.954 10.998 -4.758 1.00 2.35 H new ATOM 0 HH12 ARG A 61 15.688 10.880 -4.440 1.00 2.35 H new ATOM 0 HH21 ARG A 61 15.498 7.673 -2.999 1.00 31.44 H new ATOM 0 HH22 ARG A 61 16.553 9.016 -3.454 1.00 31.44 H new ATOM 1004 N VAL A 62 8.985 5.327 -5.345 1.00 72.53 N ATOM 1005 CA VAL A 62 8.883 4.006 -4.681 1.00 43.14 C ATOM 1006 C VAL A 62 10.287 3.413 -4.508 1.00 4.20 C ATOM 1007 O VAL A 62 11.035 3.301 -5.484 1.00 72.44 O ATOM 1008 CB VAL A 62 7.993 2.996 -5.511 1.00 21.02 C ATOM 1009 CG1 VAL A 62 7.806 1.649 -4.768 1.00 11.40 C ATOM 1010 CG2 VAL A 62 6.630 3.623 -5.865 1.00 71.44 C ATOM 0 H VAL A 62 9.395 5.278 -6.278 1.00 72.53 H new ATOM 0 HA VAL A 62 8.408 4.157 -3.712 1.00 43.14 H new ATOM 0 HB VAL A 62 8.523 2.785 -6.440 1.00 21.02 H new ATOM 0 HG11 VAL A 62 7.189 0.983 -5.371 1.00 11.40 H new ATOM 0 HG12 VAL A 62 8.779 1.188 -4.600 1.00 11.40 H new ATOM 0 HG13 VAL A 62 7.318 1.827 -3.810 1.00 11.40 H new ATOM 0 HG21 VAL A 62 6.038 2.908 -6.436 1.00 71.44 H new ATOM 0 HG22 VAL A 62 6.100 3.884 -4.949 1.00 71.44 H new ATOM 0 HG23 VAL A 62 6.787 4.522 -6.461 1.00 71.44 H new ATOM 1020 N GLU A 63 10.641 3.047 -3.271 1.00 64.32 N ATOM 1021 CA GLU A 63 11.938 2.442 -2.937 1.00 41.13 C ATOM 1022 C GLU A 63 11.689 1.218 -2.052 1.00 4.53 C ATOM 1023 O GLU A 63 11.302 1.357 -0.891 1.00 41.22 O ATOM 1024 CB GLU A 63 12.845 3.479 -2.211 1.00 35.13 C ATOM 1025 CG GLU A 63 13.203 4.717 -3.064 1.00 35.40 C ATOM 1026 CD GLU A 63 14.061 5.743 -2.311 1.00 33.42 C ATOM 1027 OE1 GLU A 63 15.307 5.686 -2.403 1.00 10.21 O ATOM 1028 OE2 GLU A 63 13.485 6.618 -1.622 1.00 71.32 O ATOM 0 H GLU A 63 10.029 3.163 -2.463 1.00 64.32 H new ATOM 0 HA GLU A 63 12.453 2.133 -3.846 1.00 41.13 H new ATOM 0 HB2 GLU A 63 12.342 3.811 -1.303 1.00 35.13 H new ATOM 0 HB3 GLU A 63 13.767 2.985 -1.903 1.00 35.13 H new ATOM 0 HG2 GLU A 63 13.737 4.393 -3.957 1.00 35.40 H new ATOM 0 HG3 GLU A 63 12.284 5.198 -3.399 1.00 35.40 H new ATOM 1035 N VAL A 64 11.910 0.022 -2.607 1.00 13.11 N ATOM 1036 CA VAL A 64 11.653 -1.242 -1.907 1.00 34.40 C ATOM 1037 C VAL A 64 12.964 -1.743 -1.255 1.00 72.22 C ATOM 1038 O VAL A 64 13.913 -2.141 -1.938 1.00 12.34 O ATOM 1039 CB VAL A 64 11.027 -2.314 -2.898 1.00 43.10 C ATOM 1040 CG1 VAL A 64 11.876 -2.524 -4.175 1.00 61.10 C ATOM 1041 CG2 VAL A 64 10.772 -3.654 -2.188 1.00 22.13 C ATOM 0 H VAL A 64 12.272 -0.098 -3.553 1.00 13.11 H new ATOM 0 HA VAL A 64 10.921 -1.082 -1.115 1.00 34.40 H new ATOM 0 HB VAL A 64 10.069 -1.904 -3.219 1.00 43.10 H new ATOM 0 HG11 VAL A 64 11.397 -3.267 -4.812 1.00 61.10 H new ATOM 0 HG12 VAL A 64 11.959 -1.581 -4.716 1.00 61.10 H new ATOM 0 HG13 VAL A 64 12.871 -2.871 -3.897 1.00 61.10 H new ATOM 0 HG21 VAL A 64 10.344 -4.365 -2.895 1.00 22.13 H new ATOM 0 HG22 VAL A 64 11.713 -4.047 -1.804 1.00 22.13 H new ATOM 0 HG23 VAL A 64 10.078 -3.501 -1.361 1.00 22.13 H new ATOM 1051 N THR A 65 13.025 -1.655 0.081 1.00 61.30 N ATOM 1052 CA THR A 65 14.184 -2.104 0.876 1.00 40.11 C ATOM 1053 C THR A 65 13.785 -3.306 1.732 1.00 34.14 C ATOM 1054 O THR A 65 12.828 -3.222 2.503 1.00 13.13 O ATOM 1055 CB THR A 65 14.734 -0.958 1.804 1.00 61.22 C ATOM 1056 OG1 THR A 65 13.690 -0.448 2.655 1.00 34.31 O ATOM 1057 CG2 THR A 65 15.333 0.208 0.999 1.00 52.13 C ATOM 0 H THR A 65 12.269 -1.269 0.647 1.00 61.30 H new ATOM 0 HA THR A 65 14.976 -2.384 0.182 1.00 40.11 H new ATOM 0 HB THR A 65 15.526 -1.402 2.407 1.00 61.22 H new ATOM 0 HG1 THR A 65 12.839 -0.874 2.420 1.00 34.31 H new ATOM 0 HG21 THR A 65 15.699 0.973 1.684 1.00 52.13 H new ATOM 0 HG22 THR A 65 16.159 -0.158 0.389 1.00 52.13 H new ATOM 0 HG23 THR A 65 14.566 0.636 0.353 1.00 52.13 H new ATOM 1065 N THR A 66 14.517 -4.412 1.607 1.00 61.32 N ATOM 1066 CA THR A 66 14.267 -5.625 2.395 1.00 74.42 C ATOM 1067 C THR A 66 15.044 -5.560 3.717 1.00 35.24 C ATOM 1068 O THR A 66 16.065 -4.876 3.814 1.00 11.15 O ATOM 1069 CB THR A 66 14.666 -6.898 1.583 1.00 55.44 C ATOM 1070 OG1 THR A 66 16.037 -6.801 1.144 1.00 43.44 O ATOM 1071 CG2 THR A 66 13.752 -7.076 0.359 1.00 60.24 C ATOM 0 H THR A 66 15.300 -4.496 0.958 1.00 61.32 H new ATOM 0 HA THR A 66 13.202 -5.686 2.618 1.00 74.42 H new ATOM 0 HB THR A 66 14.553 -7.762 2.237 1.00 55.44 H new ATOM 0 HG1 THR A 66 16.276 -7.605 0.638 1.00 43.44 H new ATOM 0 HG21 THR A 66 14.050 -7.969 -0.190 1.00 60.24 H new ATOM 0 HG22 THR A 66 12.718 -7.180 0.689 1.00 60.24 H new ATOM 0 HG23 THR A 66 13.839 -6.205 -0.290 1.00 60.24 H new ATOM 1079 N ASP A 67 14.529 -6.270 4.719 1.00 50.22 N ATOM 1080 CA ASP A 67 15.110 -6.347 6.069 1.00 52.55 C ATOM 1081 C ASP A 67 14.781 -7.738 6.620 1.00 20.21 C ATOM 1082 O ASP A 67 13.695 -7.963 7.165 1.00 11.14 O ATOM 1083 CB ASP A 67 14.538 -5.211 6.964 1.00 52.12 C ATOM 1084 CG ASP A 67 15.070 -5.235 8.413 1.00 44.03 C ATOM 1085 OD1 ASP A 67 14.392 -5.800 9.304 1.00 43.31 O ATOM 1086 OD2 ASP A 67 16.169 -4.691 8.662 1.00 40.35 O ATOM 0 H ASP A 67 13.677 -6.822 4.618 1.00 50.22 H new ATOM 0 HA ASP A 67 16.191 -6.208 6.049 1.00 52.55 H new ATOM 0 HB2 ASP A 67 14.780 -4.249 6.513 1.00 52.12 H new ATOM 0 HB3 ASP A 67 13.451 -5.289 6.984 1.00 52.12 H new ATOM 1091 N GLY A 68 15.718 -8.678 6.412 1.00 63.45 N ATOM 1092 CA GLY A 68 15.474 -10.094 6.660 1.00 75.14 C ATOM 1093 C GLY A 68 14.422 -10.642 5.704 1.00 74.11 C ATOM 1094 O GLY A 68 14.612 -10.613 4.483 1.00 64.24 O ATOM 0 H GLY A 68 16.657 -8.472 6.070 1.00 63.45 H new ATOM 0 HA2 GLY A 68 16.403 -10.653 6.544 1.00 75.14 H new ATOM 0 HA3 GLY A 68 15.144 -10.235 7.689 1.00 75.14 H new ATOM 1098 N ASN A 69 13.295 -11.106 6.263 1.00 54.50 N ATOM 1099 CA ASN A 69 12.142 -11.607 5.479 1.00 43.03 C ATOM 1100 C ASN A 69 11.107 -10.486 5.265 1.00 51.44 C ATOM 1101 O ASN A 69 10.231 -10.599 4.407 1.00 12.21 O ATOM 1102 CB ASN A 69 11.471 -12.794 6.227 1.00 33.13 C ATOM 1103 CG ASN A 69 12.411 -13.965 6.531 1.00 54.11 C ATOM 1104 OD1 ASN A 69 13.331 -14.271 5.766 1.00 41.45 O ATOM 1105 ND2 ASN A 69 12.190 -14.625 7.660 1.00 3.11 N ATOM 0 H ASN A 69 13.151 -11.147 7.272 1.00 54.50 H new ATOM 0 HA ASN A 69 12.504 -11.944 4.508 1.00 43.03 H new ATOM 0 HB2 ASN A 69 11.053 -12.427 7.164 1.00 33.13 H new ATOM 0 HB3 ASN A 69 10.637 -13.160 5.628 1.00 33.13 H new ATOM 0 HD21 ASN A 69 12.788 -15.410 7.917 1.00 3.11 H new ATOM 0 HD22 ASN A 69 11.422 -14.348 8.271 1.00 3.11 H new ATOM 1112 N THR A 70 11.247 -9.388 6.029 1.00 1.31 N ATOM 1113 CA THR A 70 10.267 -8.295 6.070 1.00 10.00 C ATOM 1114 C THR A 70 10.655 -7.189 5.074 1.00 14.12 C ATOM 1115 O THR A 70 11.746 -6.620 5.164 1.00 61.53 O ATOM 1116 CB THR A 70 10.182 -7.707 7.514 1.00 61.34 C ATOM 1117 OG1 THR A 70 9.952 -8.765 8.455 1.00 54.41 O ATOM 1118 CG2 THR A 70 9.060 -6.673 7.649 1.00 1.35 C ATOM 0 H THR A 70 12.050 -9.236 6.639 1.00 1.31 H new ATOM 0 HA THR A 70 9.291 -8.691 5.789 1.00 10.00 H new ATOM 0 HB THR A 70 11.130 -7.210 7.718 1.00 61.34 H new ATOM 0 HG1 THR A 70 9.901 -8.393 9.360 1.00 54.41 H new ATOM 0 HG21 THR A 70 9.038 -6.291 8.670 1.00 1.35 H new ATOM 0 HG22 THR A 70 9.239 -5.850 6.957 1.00 1.35 H new ATOM 0 HG23 THR A 70 8.104 -7.141 7.416 1.00 1.35 H new ATOM 1126 N VAL A 71 9.756 -6.890 4.131 1.00 52.51 N ATOM 1127 CA VAL A 71 10.007 -5.916 3.058 1.00 51.52 C ATOM 1128 C VAL A 71 9.362 -4.553 3.391 1.00 10.20 C ATOM 1129 O VAL A 71 8.142 -4.420 3.405 1.00 50.25 O ATOM 1130 CB VAL A 71 9.466 -6.445 1.684 1.00 35.20 C ATOM 1131 CG1 VAL A 71 9.795 -5.453 0.558 1.00 65.31 C ATOM 1132 CG2 VAL A 71 10.026 -7.849 1.372 1.00 72.44 C ATOM 0 H VAL A 71 8.830 -7.317 4.088 1.00 52.51 H new ATOM 0 HA VAL A 71 11.086 -5.781 2.978 1.00 51.52 H new ATOM 0 HB VAL A 71 8.382 -6.531 1.754 1.00 35.20 H new ATOM 0 HG11 VAL A 71 9.412 -5.836 -0.388 1.00 65.31 H new ATOM 0 HG12 VAL A 71 9.331 -4.491 0.774 1.00 65.31 H new ATOM 0 HG13 VAL A 71 10.875 -5.327 0.488 1.00 65.31 H new ATOM 0 HG21 VAL A 71 9.635 -8.192 0.414 1.00 72.44 H new ATOM 0 HG22 VAL A 71 11.114 -7.805 1.325 1.00 72.44 H new ATOM 0 HG23 VAL A 71 9.725 -8.543 2.156 1.00 72.44 H new ATOM 1142 N ASN A 72 10.210 -3.553 3.645 1.00 21.23 N ATOM 1143 CA ASN A 72 9.797 -2.169 3.957 1.00 41.32 C ATOM 1144 C ASN A 72 9.808 -1.342 2.664 1.00 22.43 C ATOM 1145 O ASN A 72 10.882 -1.040 2.126 1.00 12.21 O ATOM 1146 CB ASN A 72 10.782 -1.542 4.984 1.00 22.34 C ATOM 1147 CG ASN A 72 10.944 -2.386 6.249 1.00 1.14 C ATOM 1148 OD1 ASN A 72 10.256 -2.178 7.248 1.00 41.10 O ATOM 1149 ND2 ASN A 72 11.850 -3.355 6.208 1.00 74.34 N ATOM 0 H ASN A 72 11.222 -3.678 3.641 1.00 21.23 H new ATOM 0 HA ASN A 72 8.795 -2.175 4.385 1.00 41.32 H new ATOM 0 HB2 ASN A 72 11.756 -1.413 4.513 1.00 22.34 H new ATOM 0 HB3 ASN A 72 10.427 -0.549 5.260 1.00 22.34 H new ATOM 0 HD21 ASN A 72 11.993 -3.954 7.021 1.00 74.34 H new ATOM 0 HD22 ASN A 72 12.404 -3.500 5.364 1.00 74.34 H new ATOM 1156 N VAL A 73 8.625 -1.007 2.139 1.00 41.21 N ATOM 1157 CA VAL A 73 8.513 -0.152 0.948 1.00 4.30 C ATOM 1158 C VAL A 73 8.391 1.320 1.376 1.00 74.11 C ATOM 1159 O VAL A 73 7.336 1.758 1.839 1.00 62.12 O ATOM 1160 CB VAL A 73 7.299 -0.571 0.041 1.00 61.14 C ATOM 1161 CG1 VAL A 73 7.188 0.335 -1.212 1.00 24.33 C ATOM 1162 CG2 VAL A 73 7.413 -2.062 -0.350 1.00 14.01 C ATOM 0 H VAL A 73 7.730 -1.314 2.519 1.00 41.21 H new ATOM 0 HA VAL A 73 9.417 -0.279 0.352 1.00 4.30 H new ATOM 0 HB VAL A 73 6.382 -0.436 0.615 1.00 61.14 H new ATOM 0 HG11 VAL A 73 6.338 0.017 -1.817 1.00 24.33 H new ATOM 0 HG12 VAL A 73 7.045 1.370 -0.901 1.00 24.33 H new ATOM 0 HG13 VAL A 73 8.102 0.256 -1.801 1.00 24.33 H new ATOM 0 HG21 VAL A 73 6.566 -2.339 -0.978 1.00 14.01 H new ATOM 0 HG22 VAL A 73 8.340 -2.224 -0.899 1.00 14.01 H new ATOM 0 HG23 VAL A 73 7.413 -2.675 0.551 1.00 14.01 H new ATOM 1172 N THR A 74 9.498 2.055 1.230 1.00 13.12 N ATOM 1173 CA THR A 74 9.577 3.486 1.500 1.00 24.44 C ATOM 1174 C THR A 74 9.153 4.258 0.240 1.00 52.00 C ATOM 1175 O THR A 74 9.894 4.322 -0.747 1.00 5.10 O ATOM 1176 CB THR A 74 11.028 3.875 1.917 1.00 24.33 C ATOM 1177 OG1 THR A 74 11.434 3.064 3.030 1.00 30.13 O ATOM 1178 CG2 THR A 74 11.159 5.356 2.296 1.00 13.21 C ATOM 0 H THR A 74 10.382 1.658 0.913 1.00 13.12 H new ATOM 0 HA THR A 74 8.908 3.742 2.321 1.00 24.44 H new ATOM 0 HB THR A 74 11.671 3.703 1.054 1.00 24.33 H new ATOM 0 HG1 THR A 74 11.318 3.569 3.862 1.00 30.13 H new ATOM 0 HG21 THR A 74 12.190 5.570 2.578 1.00 13.21 H new ATOM 0 HG22 THR A 74 10.880 5.976 1.444 1.00 13.21 H new ATOM 0 HG23 THR A 74 10.500 5.576 3.136 1.00 13.21 H new ATOM 1186 N VAL A 75 7.955 4.828 0.286 1.00 12.53 N ATOM 1187 CA VAL A 75 7.315 5.489 -0.857 1.00 2.03 C ATOM 1188 C VAL A 75 6.858 6.912 -0.466 1.00 61.43 C ATOM 1189 O VAL A 75 6.142 7.096 0.512 1.00 3.41 O ATOM 1190 CB VAL A 75 6.120 4.610 -1.408 1.00 55.32 C ATOM 1191 CG1 VAL A 75 5.170 4.160 -0.283 1.00 40.21 C ATOM 1192 CG2 VAL A 75 5.352 5.324 -2.548 1.00 5.45 C ATOM 0 H VAL A 75 7.386 4.847 1.132 1.00 12.53 H new ATOM 0 HA VAL A 75 8.041 5.589 -1.664 1.00 2.03 H new ATOM 0 HB VAL A 75 6.564 3.710 -1.834 1.00 55.32 H new ATOM 0 HG11 VAL A 75 4.364 3.559 -0.706 1.00 40.21 H new ATOM 0 HG12 VAL A 75 5.723 3.565 0.444 1.00 40.21 H new ATOM 0 HG13 VAL A 75 4.749 5.036 0.210 1.00 40.21 H new ATOM 0 HG21 VAL A 75 4.541 4.685 -2.896 1.00 5.45 H new ATOM 0 HG22 VAL A 75 4.941 6.263 -2.177 1.00 5.45 H new ATOM 0 HG23 VAL A 75 6.033 5.527 -3.374 1.00 5.45 H new ATOM 1202 N GLU A 76 7.314 7.915 -1.235 1.00 4.32 N ATOM 1203 CA GLU A 76 6.952 9.322 -1.045 1.00 13.55 C ATOM 1204 C GLU A 76 5.772 9.664 -1.964 1.00 10.34 C ATOM 1205 O GLU A 76 5.811 9.398 -3.176 1.00 31.43 O ATOM 1206 CB GLU A 76 8.156 10.252 -1.353 1.00 53.41 C ATOM 1207 CG GLU A 76 7.857 11.753 -1.120 1.00 10.03 C ATOM 1208 CD GLU A 76 8.981 12.688 -1.583 1.00 70.12 C ATOM 1209 OE1 GLU A 76 9.795 13.137 -0.744 1.00 1.44 O ATOM 1210 OE2 GLU A 76 9.037 12.991 -2.797 1.00 63.31 O ATOM 0 H GLU A 76 7.953 7.765 -2.016 1.00 4.32 H new ATOM 0 HA GLU A 76 6.667 9.477 -0.004 1.00 13.55 H new ATOM 0 HB2 GLU A 76 9.000 9.958 -0.730 1.00 53.41 H new ATOM 0 HB3 GLU A 76 8.460 10.108 -2.390 1.00 53.41 H new ATOM 0 HG2 GLU A 76 6.939 12.017 -1.645 1.00 10.03 H new ATOM 0 HG3 GLU A 76 7.675 11.917 -0.058 1.00 10.03 H new ATOM 1217 N LEU A 77 4.717 10.224 -1.366 1.00 21.12 N ATOM 1218 CA LEU A 77 3.525 10.678 -2.085 1.00 71.21 C ATOM 1219 C LEU A 77 3.325 12.162 -1.836 1.00 13.01 C ATOM 1220 O LEU A 77 3.808 12.701 -0.840 1.00 10.10 O ATOM 1221 CB LEU A 77 2.261 9.891 -1.648 1.00 10.41 C ATOM 1222 CG LEU A 77 2.327 8.335 -1.833 1.00 74.42 C ATOM 1223 CD1 LEU A 77 2.986 7.638 -0.626 1.00 40.02 C ATOM 1224 CD2 LEU A 77 0.940 7.759 -2.125 1.00 53.11 C ATOM 0 H LEU A 77 4.667 10.376 -0.359 1.00 21.12 H new ATOM 0 HA LEU A 77 3.675 10.496 -3.149 1.00 71.21 H new ATOM 0 HB2 LEU A 77 2.068 10.105 -0.597 1.00 10.41 H new ATOM 0 HB3 LEU A 77 1.408 10.269 -2.212 1.00 10.41 H new ATOM 0 HG LEU A 77 2.961 8.136 -2.697 1.00 74.42 H new ATOM 0 HD11 LEU A 77 3.011 6.562 -0.796 1.00 40.02 H new ATOM 0 HD12 LEU A 77 4.003 8.009 -0.502 1.00 40.02 H new ATOM 0 HD13 LEU A 77 2.410 7.849 0.275 1.00 40.02 H new ATOM 0 HD21 LEU A 77 1.013 6.679 -2.249 1.00 53.11 H new ATOM 0 HD22 LEU A 77 0.270 7.984 -1.295 1.00 53.11 H new ATOM 0 HD23 LEU A 77 0.547 8.203 -3.039 1.00 53.11 H new ATOM 1236 N GLU A 78 2.610 12.820 -2.749 1.00 41.24 N ATOM 1237 CA GLU A 78 2.237 14.237 -2.596 1.00 31.23 C ATOM 1238 C GLU A 78 0.734 14.353 -2.328 1.00 61.24 C ATOM 1239 O GLU A 78 -0.081 14.159 -3.235 1.00 21.23 O ATOM 1240 CB GLU A 78 2.667 15.057 -3.834 1.00 24.13 C ATOM 1241 CG GLU A 78 4.191 15.260 -3.933 1.00 72.30 C ATOM 1242 CD GLU A 78 4.605 16.167 -5.090 1.00 71.32 C ATOM 1243 OE1 GLU A 78 4.960 15.648 -6.165 1.00 43.25 O ATOM 1244 OE2 GLU A 78 4.560 17.407 -4.941 1.00 34.33 O ATOM 0 H GLU A 78 2.272 12.394 -3.612 1.00 41.24 H new ATOM 0 HA GLU A 78 2.766 14.655 -1.739 1.00 31.23 H new ATOM 0 HB2 GLU A 78 2.316 14.553 -4.734 1.00 24.13 H new ATOM 0 HB3 GLU A 78 2.179 16.031 -3.803 1.00 24.13 H new ATOM 0 HG2 GLU A 78 4.555 15.686 -2.998 1.00 72.30 H new ATOM 0 HG3 GLU A 78 4.673 14.290 -4.051 1.00 72.30 H new ATOM 1251 N GLU A 79 0.389 14.669 -1.067 1.00 55.44 N ATOM 1252 CA GLU A 79 -0.995 14.727 -0.594 1.00 53.20 C ATOM 1253 C GLU A 79 -1.604 16.105 -0.875 1.00 75.35 C ATOM 1254 O GLU A 79 -1.092 17.126 -0.394 1.00 50.12 O ATOM 1255 CB GLU A 79 -1.057 14.416 0.927 1.00 71.55 C ATOM 1256 CG GLU A 79 -0.346 13.108 1.346 1.00 54.15 C ATOM 1257 CD GLU A 79 -0.740 12.648 2.751 1.00 73.14 C ATOM 1258 OE1 GLU A 79 -1.722 11.882 2.876 1.00 42.04 O ATOM 1259 OE2 GLU A 79 -0.096 13.075 3.737 1.00 45.44 O ATOM 0 H GLU A 79 1.074 14.893 -0.345 1.00 55.44 H new ATOM 0 HA GLU A 79 -1.574 13.976 -1.132 1.00 53.20 H new ATOM 0 HB2 GLU A 79 -0.611 15.247 1.473 1.00 71.55 H new ATOM 0 HB3 GLU A 79 -2.102 14.359 1.231 1.00 71.55 H new ATOM 0 HG2 GLU A 79 -0.587 12.322 0.630 1.00 54.15 H new ATOM 0 HG3 GLU A 79 0.733 13.256 1.306 1.00 54.15 H new ATOM 1266 N THR A 80 -2.683 16.117 -1.665 1.00 51.32 N ATOM 1267 CA THR A 80 -3.464 17.312 -1.958 1.00 10.03 C ATOM 1268 C THR A 80 -4.564 17.431 -0.881 1.00 44.11 C ATOM 1269 O THR A 80 -5.580 16.718 -0.918 1.00 42.14 O ATOM 1270 CB THR A 80 -4.070 17.217 -3.398 1.00 10.55 C ATOM 1271 OG1 THR A 80 -3.010 17.045 -4.365 1.00 63.14 O ATOM 1272 CG2 THR A 80 -4.903 18.457 -3.767 1.00 63.44 C ATOM 0 H THR A 80 -3.040 15.279 -2.124 1.00 51.32 H new ATOM 0 HA THR A 80 -2.838 18.204 -1.934 1.00 10.03 H new ATOM 0 HB THR A 80 -4.738 16.356 -3.411 1.00 10.55 H new ATOM 0 HG1 THR A 80 -3.394 16.984 -5.264 1.00 63.14 H new ATOM 0 HG21 THR A 80 -5.301 18.341 -4.775 1.00 63.44 H new ATOM 0 HG22 THR A 80 -5.727 18.565 -3.062 1.00 63.44 H new ATOM 0 HG23 THR A 80 -4.272 19.345 -3.726 1.00 63.44 H new ATOM 1280 N THR A 81 -4.310 18.305 0.101 1.00 14.14 N ATOM 1281 CA THR A 81 -5.141 18.461 1.298 1.00 34.42 C ATOM 1282 C THR A 81 -5.080 19.915 1.795 1.00 63.15 C ATOM 1283 O THR A 81 -3.991 20.477 1.942 1.00 13.00 O ATOM 1284 CB THR A 81 -4.684 17.464 2.420 1.00 62.41 C ATOM 1285 OG1 THR A 81 -5.422 17.697 3.631 1.00 44.23 O ATOM 1286 CG2 THR A 81 -3.165 17.524 2.697 1.00 13.11 C ATOM 0 H THR A 81 -3.507 18.934 0.084 1.00 14.14 H new ATOM 0 HA THR A 81 -6.175 18.227 1.043 1.00 34.42 H new ATOM 0 HB THR A 81 -4.898 16.461 2.052 1.00 62.41 H new ATOM 0 HG1 THR A 81 -5.127 17.066 4.321 1.00 44.23 H new ATOM 0 HG21 THR A 81 -2.910 16.812 3.482 1.00 13.11 H new ATOM 0 HG22 THR A 81 -2.619 17.272 1.788 1.00 13.11 H new ATOM 0 HG23 THR A 81 -2.893 18.530 3.017 1.00 13.11 H new ATOM 1294 N GLY A 82 -6.262 20.530 2.011 1.00 41.11 N ATOM 1295 CA GLY A 82 -6.362 21.908 2.522 1.00 72.35 C ATOM 1296 C GLY A 82 -5.757 22.957 1.591 1.00 23.54 C ATOM 1297 O GLY A 82 -5.301 24.014 2.046 1.00 45.22 O ATOM 0 H GLY A 82 -7.165 20.088 1.837 1.00 41.11 H new ATOM 0 HA2 GLY A 82 -7.412 22.148 2.690 1.00 72.35 H new ATOM 0 HA3 GLY A 82 -5.863 21.964 3.490 1.00 72.35 H new ATOM 1301 N GLY A 83 -5.741 22.644 0.281 1.00 71.43 N ATOM 1302 CA GLY A 83 -5.168 23.528 -0.742 1.00 55.22 C ATOM 1303 C GLY A 83 -3.646 23.520 -0.785 1.00 32.23 C ATOM 1304 O GLY A 83 -3.043 24.387 -1.428 1.00 41.41 O ATOM 0 H GLY A 83 -6.124 21.775 -0.092 1.00 71.43 H new ATOM 0 HA2 GLY A 83 -5.550 23.232 -1.719 1.00 55.22 H new ATOM 0 HA3 GLY A 83 -5.511 24.547 -0.561 1.00 55.22 H new ATOM 1308 N THR A 84 -3.022 22.539 -0.108 1.00 1.42 N ATOM 1309 CA THR A 84 -1.551 22.382 -0.072 1.00 41.12 C ATOM 1310 C THR A 84 -1.159 21.000 -0.611 1.00 72.40 C ATOM 1311 O THR A 84 -1.922 20.037 -0.469 1.00 52.25 O ATOM 1312 CB THR A 84 -0.970 22.565 1.380 1.00 13.15 C ATOM 1313 OG1 THR A 84 -1.478 21.557 2.265 1.00 75.51 O ATOM 1314 CG2 THR A 84 -1.296 23.956 1.961 1.00 64.12 C ATOM 0 H THR A 84 -3.521 21.831 0.431 1.00 1.42 H new ATOM 0 HA THR A 84 -1.125 23.163 -0.701 1.00 41.12 H new ATOM 0 HB THR A 84 0.113 22.469 1.297 1.00 13.15 H new ATOM 0 HG1 THR A 84 -2.383 21.304 1.987 1.00 75.51 H new ATOM 0 HG21 THR A 84 -0.876 24.039 2.964 1.00 64.12 H new ATOM 0 HG22 THR A 84 -0.865 24.727 1.322 1.00 64.12 H new ATOM 0 HG23 THR A 84 -2.377 24.086 2.008 1.00 64.12 H new ATOM 1322 N THR A 85 0.030 20.912 -1.228 1.00 62.51 N ATOM 1323 CA THR A 85 0.577 19.651 -1.738 1.00 25.41 C ATOM 1324 C THR A 85 1.872 19.337 -0.967 1.00 0.01 C ATOM 1325 O THR A 85 2.900 19.997 -1.179 1.00 51.45 O ATOM 1326 CB THR A 85 0.855 19.762 -3.276 1.00 61.21 C ATOM 1327 OG1 THR A 85 -0.286 20.358 -3.926 1.00 65.10 O ATOM 1328 CG2 THR A 85 1.147 18.398 -3.925 1.00 3.20 C ATOM 0 H THR A 85 0.638 21.716 -1.386 1.00 62.51 H new ATOM 0 HA THR A 85 -0.140 18.843 -1.590 1.00 25.41 H new ATOM 0 HB THR A 85 1.743 20.382 -3.400 1.00 61.21 H new ATOM 0 HG1 THR A 85 -0.114 20.430 -4.888 1.00 65.10 H new ATOM 0 HG21 THR A 85 1.332 18.534 -4.990 1.00 3.20 H new ATOM 0 HG22 THR A 85 2.026 17.953 -3.458 1.00 3.20 H new ATOM 0 HG23 THR A 85 0.290 17.739 -3.787 1.00 3.20 H new ATOM 1336 N THR A 86 1.813 18.350 -0.053 1.00 30.11 N ATOM 1337 CA THR A 86 2.947 18.017 0.831 1.00 33.34 C ATOM 1338 C THR A 86 3.551 16.651 0.461 1.00 42.44 C ATOM 1339 O THR A 86 2.829 15.700 0.155 1.00 20.11 O ATOM 1340 CB THR A 86 2.536 18.020 2.348 1.00 60.25 C ATOM 1341 OG1 THR A 86 3.702 17.812 3.174 1.00 63.51 O ATOM 1342 CG2 THR A 86 1.489 16.947 2.679 1.00 63.31 C ATOM 0 H THR A 86 0.989 17.767 0.093 1.00 30.11 H new ATOM 0 HA THR A 86 3.697 18.794 0.683 1.00 33.34 H new ATOM 0 HB THR A 86 2.090 18.993 2.553 1.00 60.25 H new ATOM 0 HG1 THR A 86 3.439 17.817 4.118 1.00 63.51 H new ATOM 0 HG21 THR A 86 1.242 16.994 3.740 1.00 63.31 H new ATOM 0 HG22 THR A 86 0.589 17.122 2.089 1.00 63.31 H new ATOM 0 HG23 THR A 86 1.891 15.962 2.444 1.00 63.31 H new ATOM 1350 N ASN A 87 4.882 16.578 0.486 1.00 1.12 N ATOM 1351 CA ASN A 87 5.622 15.323 0.322 1.00 60.24 C ATOM 1352 C ASN A 87 5.630 14.564 1.662 1.00 4.45 C ATOM 1353 O ASN A 87 6.352 14.940 2.589 1.00 14.40 O ATOM 1354 CB ASN A 87 7.064 15.639 -0.126 1.00 32.10 C ATOM 1355 CG ASN A 87 7.137 16.311 -1.503 1.00 65.21 C ATOM 1356 OD1 ASN A 87 7.042 17.529 -1.620 1.00 52.12 O ATOM 1357 ND2 ASN A 87 7.313 15.527 -2.551 1.00 12.22 N ATOM 0 H ASN A 87 5.482 17.392 0.621 1.00 1.12 H new ATOM 0 HA ASN A 87 5.145 14.701 -0.436 1.00 60.24 H new ATOM 0 HB2 ASN A 87 7.533 16.289 0.613 1.00 32.10 H new ATOM 0 HB3 ASN A 87 7.641 14.714 -0.149 1.00 32.10 H new ATOM 0 HD21 ASN A 87 7.373 15.931 -3.486 1.00 12.22 H new ATOM 0 HD22 ASN A 87 7.389 14.518 -2.426 1.00 12.22 H new ATOM 1364 N THR A 88 4.789 13.532 1.779 1.00 3.53 N ATOM 1365 CA THR A 88 4.717 12.682 2.979 1.00 14.01 C ATOM 1366 C THR A 88 5.168 11.259 2.625 1.00 52.32 C ATOM 1367 O THR A 88 4.670 10.665 1.660 1.00 30.24 O ATOM 1368 CB THR A 88 3.277 12.661 3.576 1.00 22.34 C ATOM 1369 OG1 THR A 88 2.828 14.013 3.769 1.00 11.35 O ATOM 1370 CG2 THR A 88 3.222 11.894 4.920 1.00 44.12 C ATOM 0 H THR A 88 4.136 13.259 1.044 1.00 3.53 H new ATOM 0 HA THR A 88 5.381 13.098 3.737 1.00 14.01 H new ATOM 0 HB THR A 88 2.625 12.141 2.874 1.00 22.34 H new ATOM 0 HG1 THR A 88 1.849 14.029 3.816 1.00 11.35 H new ATOM 0 HG21 THR A 88 2.201 11.903 5.302 1.00 44.12 H new ATOM 0 HG22 THR A 88 3.542 10.864 4.764 1.00 44.12 H new ATOM 0 HG23 THR A 88 3.884 12.375 5.641 1.00 44.12 H new ATOM 1378 N THR A 89 6.115 10.729 3.404 1.00 61.03 N ATOM 1379 CA THR A 89 6.702 9.414 3.169 1.00 70.33 C ATOM 1380 C THR A 89 5.948 8.342 3.981 1.00 33.24 C ATOM 1381 O THR A 89 5.895 8.410 5.203 1.00 70.23 O ATOM 1382 CB THR A 89 8.218 9.419 3.550 1.00 72.35 C ATOM 1383 OG1 THR A 89 8.894 10.457 2.811 1.00 52.34 O ATOM 1384 CG2 THR A 89 8.896 8.064 3.264 1.00 61.21 C ATOM 0 H THR A 89 6.496 11.207 4.221 1.00 61.03 H new ATOM 0 HA THR A 89 6.613 9.176 2.109 1.00 70.33 H new ATOM 0 HB THR A 89 8.288 9.604 4.622 1.00 72.35 H new ATOM 0 HG1 THR A 89 9.844 10.463 3.050 1.00 52.34 H new ATOM 0 HG21 THR A 89 9.948 8.117 3.545 1.00 61.21 H new ATOM 0 HG22 THR A 89 8.405 7.282 3.843 1.00 61.21 H new ATOM 0 HG23 THR A 89 8.815 7.834 2.202 1.00 61.21 H new ATOM 1392 N TYR A 90 5.359 7.372 3.284 1.00 2.14 N ATOM 1393 CA TYR A 90 4.732 6.197 3.898 1.00 30.40 C ATOM 1394 C TYR A 90 5.661 5.002 3.701 1.00 12.23 C ATOM 1395 O TYR A 90 6.150 4.775 2.601 1.00 24.21 O ATOM 1396 CB TYR A 90 3.351 5.915 3.248 1.00 24.10 C ATOM 1397 CG TYR A 90 2.275 6.945 3.594 1.00 40.22 C ATOM 1398 CD1 TYR A 90 2.261 8.212 3.002 1.00 3.02 C ATOM 1399 CD2 TYR A 90 1.279 6.656 4.530 1.00 51.21 C ATOM 1400 CE1 TYR A 90 1.299 9.145 3.331 1.00 60.25 C ATOM 1401 CE2 TYR A 90 0.314 7.585 4.856 1.00 42.41 C ATOM 1402 CZ TYR A 90 0.330 8.828 4.261 1.00 60.04 C ATOM 1403 OH TYR A 90 -0.617 9.759 4.611 1.00 13.04 O ATOM 0 H TYR A 90 5.302 7.377 2.266 1.00 2.14 H new ATOM 0 HA TYR A 90 4.571 6.377 4.961 1.00 30.40 H new ATOM 0 HB2 TYR A 90 3.471 5.881 2.165 1.00 24.10 H new ATOM 0 HB3 TYR A 90 3.009 4.929 3.562 1.00 24.10 H new ATOM 0 HD1 TYR A 90 3.017 8.465 2.274 1.00 3.02 H new ATOM 0 HD2 TYR A 90 1.265 5.687 5.007 1.00 51.21 H new ATOM 0 HE1 TYR A 90 1.304 10.118 2.863 1.00 60.25 H new ATOM 0 HE2 TYR A 90 -0.453 7.339 5.576 1.00 42.41 H new ATOM 0 HH TYR A 90 -0.858 10.292 3.825 1.00 13.04 H new ATOM 1413 N GLU A 91 5.935 4.275 4.779 1.00 43.43 N ATOM 1414 CA GLU A 91 6.739 3.053 4.743 1.00 33.25 C ATOM 1415 C GLU A 91 5.848 1.891 5.152 1.00 31.12 C ATOM 1416 O GLU A 91 5.497 1.743 6.327 1.00 2.25 O ATOM 1417 CB GLU A 91 7.970 3.175 5.667 1.00 60.30 C ATOM 1418 CG GLU A 91 8.892 4.359 5.318 1.00 72.45 C ATOM 1419 CD GLU A 91 10.106 4.459 6.245 1.00 62.32 C ATOM 1420 OE1 GLU A 91 11.248 4.199 5.796 1.00 2.11 O ATOM 1421 OE2 GLU A 91 9.910 4.770 7.437 1.00 1.31 O ATOM 0 H GLU A 91 5.603 4.518 5.713 1.00 43.43 H new ATOM 0 HA GLU A 91 7.121 2.884 3.736 1.00 33.25 H new ATOM 0 HB2 GLU A 91 7.631 3.282 6.697 1.00 60.30 H new ATOM 0 HB3 GLU A 91 8.545 2.251 5.615 1.00 60.30 H new ATOM 0 HG2 GLU A 91 9.234 4.256 4.288 1.00 72.45 H new ATOM 0 HG3 GLU A 91 8.322 5.286 5.373 1.00 72.45 H new ATOM 1428 N LEU A 92 5.447 1.094 4.160 1.00 32.50 N ATOM 1429 CA LEU A 92 4.570 -0.047 4.365 1.00 1.35 C ATOM 1430 C LEU A 92 5.446 -1.270 4.623 1.00 31.03 C ATOM 1431 O LEU A 92 6.154 -1.745 3.730 1.00 2.33 O ATOM 1432 CB LEU A 92 3.605 -0.251 3.166 1.00 20.14 C ATOM 1433 CG LEU A 92 2.525 0.871 2.956 1.00 71.21 C ATOM 1434 CD1 LEU A 92 3.152 2.195 2.481 1.00 31.45 C ATOM 1435 CD2 LEU A 92 1.419 0.410 1.989 1.00 45.01 C ATOM 0 H LEU A 92 5.726 1.228 3.188 1.00 32.50 H new ATOM 0 HA LEU A 92 3.926 0.124 5.228 1.00 1.35 H new ATOM 0 HB2 LEU A 92 4.199 -0.331 2.256 1.00 20.14 H new ATOM 0 HB3 LEU A 92 3.091 -1.203 3.296 1.00 20.14 H new ATOM 0 HG LEU A 92 2.069 1.057 3.929 1.00 71.21 H new ATOM 0 HD11 LEU A 92 2.369 2.942 2.349 1.00 31.45 H new ATOM 0 HD12 LEU A 92 3.867 2.547 3.225 1.00 31.45 H new ATOM 0 HD13 LEU A 92 3.665 2.035 1.532 1.00 31.45 H new ATOM 0 HD21 LEU A 92 0.688 1.209 1.865 1.00 45.01 H new ATOM 0 HD22 LEU A 92 1.859 0.168 1.022 1.00 45.01 H new ATOM 0 HD23 LEU A 92 0.926 -0.473 2.395 1.00 45.01 H new ATOM 1447 N ARG A 93 5.425 -1.725 5.876 1.00 34.34 N ATOM 1448 CA ARG A 93 6.238 -2.834 6.346 1.00 63.14 C ATOM 1449 C ARG A 93 5.452 -4.135 6.132 1.00 41.23 C ATOM 1450 O ARG A 93 4.553 -4.473 6.903 1.00 51.32 O ATOM 1451 CB ARG A 93 6.571 -2.620 7.852 1.00 63.31 C ATOM 1452 CG ARG A 93 7.571 -3.634 8.428 1.00 24.53 C ATOM 1453 CD ARG A 93 7.843 -3.445 9.931 1.00 70.12 C ATOM 1454 NE ARG A 93 9.069 -4.147 10.352 1.00 21.34 N ATOM 1455 CZ ARG A 93 9.187 -4.990 11.395 1.00 25.21 C ATOM 1456 NH1 ARG A 93 8.139 -5.294 12.156 1.00 60.34 N ATOM 1457 NH2 ARG A 93 10.371 -5.515 11.675 1.00 42.23 N ATOM 0 H ARG A 93 4.831 -1.323 6.601 1.00 34.34 H new ATOM 0 HA ARG A 93 7.176 -2.892 5.794 1.00 63.14 H new ATOM 0 HB2 ARG A 93 6.973 -1.616 7.984 1.00 63.31 H new ATOM 0 HB3 ARG A 93 5.647 -2.672 8.427 1.00 63.31 H new ATOM 0 HG2 ARG A 93 7.191 -4.642 8.260 1.00 24.53 H new ATOM 0 HG3 ARG A 93 8.512 -3.553 7.884 1.00 24.53 H new ATOM 0 HD2 ARG A 93 7.937 -2.382 10.154 1.00 70.12 H new ATOM 0 HD3 ARG A 93 6.994 -3.817 10.505 1.00 70.12 H new ATOM 0 HE ARG A 93 9.909 -3.978 9.799 1.00 21.34 H new ATOM 0 HH11 ARG A 93 7.226 -4.886 11.953 1.00 60.34 H new ATOM 0 HH12 ARG A 93 8.248 -5.935 12.942 1.00 60.34 H new ATOM 0 HH21 ARG A 93 11.182 -5.279 11.103 1.00 42.23 H new ATOM 0 HH22 ARG A 93 10.472 -6.155 12.463 1.00 42.23 H new ATOM 1471 N PHE A 94 5.791 -4.832 5.049 1.00 62.04 N ATOM 1472 CA PHE A 94 5.155 -6.086 4.664 1.00 3.22 C ATOM 1473 C PHE A 94 5.881 -7.249 5.355 1.00 41.22 C ATOM 1474 O PHE A 94 7.016 -7.591 5.007 1.00 31.42 O ATOM 1475 CB PHE A 94 5.206 -6.226 3.117 1.00 1.21 C ATOM 1476 CG PHE A 94 4.318 -5.227 2.372 1.00 34.20 C ATOM 1477 CD1 PHE A 94 4.818 -4.005 1.927 1.00 13.14 C ATOM 1478 CD2 PHE A 94 2.976 -5.517 2.119 1.00 41.44 C ATOM 1479 CE1 PHE A 94 4.010 -3.112 1.254 1.00 4.30 C ATOM 1480 CE2 PHE A 94 2.169 -4.618 1.446 1.00 43.32 C ATOM 1481 CZ PHE A 94 2.687 -3.417 1.014 1.00 34.24 C ATOM 0 H PHE A 94 6.526 -4.536 4.407 1.00 62.04 H new ATOM 0 HA PHE A 94 4.111 -6.100 4.976 1.00 3.22 H new ATOM 0 HB2 PHE A 94 6.236 -6.099 2.785 1.00 1.21 H new ATOM 0 HB3 PHE A 94 4.906 -7.238 2.844 1.00 1.21 H new ATOM 0 HD1 PHE A 94 5.852 -3.753 2.111 1.00 13.14 H new ATOM 0 HD2 PHE A 94 2.562 -6.457 2.454 1.00 41.44 H new ATOM 0 HE1 PHE A 94 4.415 -2.170 0.914 1.00 4.30 H new ATOM 0 HE2 PHE A 94 1.133 -4.858 1.259 1.00 43.32 H new ATOM 0 HZ PHE A 94 2.057 -2.715 0.488 1.00 34.24 H new ATOM 1491 N GLU A 95 5.208 -7.833 6.351 1.00 12.21 N ATOM 1492 CA GLU A 95 5.735 -8.933 7.159 1.00 22.04 C ATOM 1493 C GLU A 95 5.146 -10.243 6.598 1.00 34.11 C ATOM 1494 O GLU A 95 3.944 -10.520 6.731 1.00 0.05 O ATOM 1495 CB GLU A 95 5.386 -8.682 8.661 1.00 22.13 C ATOM 1496 CG GLU A 95 6.250 -9.452 9.693 1.00 74.11 C ATOM 1497 CD GLU A 95 5.895 -10.940 9.842 1.00 2.51 C ATOM 1498 OE1 GLU A 95 4.847 -11.242 10.440 1.00 30.24 O ATOM 1499 OE2 GLU A 95 6.673 -11.813 9.398 1.00 0.32 O ATOM 0 H GLU A 95 4.266 -7.549 6.622 1.00 12.21 H new ATOM 0 HA GLU A 95 6.821 -9.004 7.108 1.00 22.04 H new ATOM 0 HB2 GLU A 95 5.479 -7.615 8.862 1.00 22.13 H new ATOM 0 HB3 GLU A 95 4.341 -8.947 8.821 1.00 22.13 H new ATOM 0 HG2 GLU A 95 7.298 -9.369 9.404 1.00 74.11 H new ATOM 0 HG3 GLU A 95 6.148 -8.969 10.665 1.00 74.11 H new ATOM 1506 N VAL A 96 6.019 -11.016 5.937 1.00 11.14 N ATOM 1507 CA VAL A 96 5.637 -12.140 5.065 1.00 44.34 C ATOM 1508 C VAL A 96 5.465 -13.459 5.847 1.00 61.44 C ATOM 1509 O VAL A 96 6.083 -13.661 6.896 1.00 32.43 O ATOM 1510 CB VAL A 96 6.683 -12.316 3.899 1.00 14.41 C ATOM 1511 CG1 VAL A 96 6.994 -10.945 3.254 1.00 10.13 C ATOM 1512 CG2 VAL A 96 7.980 -13.022 4.368 1.00 51.43 C ATOM 0 H VAL A 96 7.028 -10.877 5.993 1.00 11.14 H new ATOM 0 HA VAL A 96 4.665 -11.896 4.635 1.00 44.34 H new ATOM 0 HB VAL A 96 6.234 -12.967 3.149 1.00 14.41 H new ATOM 0 HG11 VAL A 96 7.718 -11.077 2.450 1.00 10.13 H new ATOM 0 HG12 VAL A 96 6.077 -10.516 2.850 1.00 10.13 H new ATOM 0 HG13 VAL A 96 7.407 -10.274 4.007 1.00 10.13 H new ATOM 0 HG21 VAL A 96 8.666 -13.118 3.527 1.00 51.43 H new ATOM 0 HG22 VAL A 96 8.451 -12.433 5.155 1.00 51.43 H new ATOM 0 HG23 VAL A 96 7.736 -14.012 4.753 1.00 51.43 H new ATOM 1522 N ASP A 97 4.592 -14.324 5.328 1.00 13.33 N ATOM 1523 CA ASP A 97 4.288 -15.647 5.893 1.00 42.21 C ATOM 1524 C ASP A 97 4.230 -16.674 4.741 1.00 13.45 C ATOM 1525 O ASP A 97 3.272 -16.684 3.957 1.00 34.43 O ATOM 1526 CB ASP A 97 2.942 -15.565 6.667 1.00 12.55 C ATOM 1527 CG ASP A 97 2.445 -16.913 7.225 1.00 64.55 C ATOM 1528 OD1 ASP A 97 2.933 -17.350 8.282 1.00 32.41 O ATOM 1529 OD2 ASP A 97 1.544 -17.533 6.620 1.00 14.01 O ATOM 0 H ASP A 97 4.061 -14.122 4.481 1.00 13.33 H new ATOM 0 HA ASP A 97 5.060 -15.966 6.594 1.00 42.21 H new ATOM 0 HB2 ASP A 97 3.054 -14.863 7.493 1.00 12.55 H new ATOM 0 HB3 ASP A 97 2.180 -15.157 6.003 1.00 12.55 H new ATOM 1534 N GLY A 98 5.302 -17.484 4.605 1.00 72.34 N ATOM 1535 CA GLY A 98 5.389 -18.531 3.584 1.00 40.32 C ATOM 1536 C GLY A 98 5.658 -17.986 2.181 1.00 44.44 C ATOM 1537 O GLY A 98 6.767 -17.533 1.886 1.00 15.00 O ATOM 0 H GLY A 98 6.126 -17.424 5.203 1.00 72.34 H new ATOM 0 HA2 GLY A 98 6.183 -19.227 3.854 1.00 40.32 H new ATOM 0 HA3 GLY A 98 4.458 -19.097 3.574 1.00 40.32 H new ATOM 1541 N ASP A 99 4.635 -18.039 1.311 1.00 42.33 N ATOM 1542 CA ASP A 99 4.730 -17.598 -0.108 1.00 53.43 C ATOM 1543 C ASP A 99 3.883 -16.346 -0.372 1.00 3.15 C ATOM 1544 O ASP A 99 3.814 -15.854 -1.503 1.00 0.41 O ATOM 1545 CB ASP A 99 4.294 -18.744 -1.054 1.00 14.22 C ATOM 1546 CG ASP A 99 5.255 -19.934 -1.010 1.00 31.14 C ATOM 1547 OD1 ASP A 99 5.081 -20.833 -0.158 1.00 12.34 O ATOM 1548 OD2 ASP A 99 6.206 -19.971 -1.816 1.00 64.51 O ATOM 0 H ASP A 99 3.711 -18.389 1.565 1.00 42.33 H new ATOM 0 HA ASP A 99 5.771 -17.342 -0.305 1.00 53.43 H new ATOM 0 HB2 ASP A 99 3.294 -19.078 -0.779 1.00 14.22 H new ATOM 0 HB3 ASP A 99 4.234 -18.366 -2.075 1.00 14.22 H new ATOM 1553 N THR A 100 3.255 -15.833 0.685 1.00 2.43 N ATOM 1554 CA THR A 100 2.381 -14.662 0.620 1.00 20.15 C ATOM 1555 C THR A 100 2.736 -13.702 1.761 1.00 31.43 C ATOM 1556 O THR A 100 3.452 -14.070 2.693 1.00 31.54 O ATOM 1557 CB THR A 100 0.872 -15.090 0.700 1.00 34.12 C ATOM 1558 OG1 THR A 100 0.017 -13.945 0.557 1.00 43.14 O ATOM 1559 CG2 THR A 100 0.542 -15.811 2.022 1.00 4.32 C ATOM 0 H THR A 100 3.340 -16.224 1.623 1.00 2.43 H new ATOM 0 HA THR A 100 2.530 -14.155 -0.333 1.00 20.15 H new ATOM 0 HB THR A 100 0.697 -15.787 -0.119 1.00 34.12 H new ATOM 0 HG1 THR A 100 -0.920 -14.228 0.607 1.00 43.14 H new ATOM 0 HG21 THR A 100 -0.512 -16.088 2.032 1.00 4.32 H new ATOM 0 HG22 THR A 100 1.154 -16.709 2.109 1.00 4.32 H new ATOM 0 HG23 THR A 100 0.751 -15.147 2.861 1.00 4.32 H new ATOM 1567 N ILE A 101 2.259 -12.467 1.655 1.00 72.32 N ATOM 1568 CA ILE A 101 2.382 -11.464 2.702 1.00 50.31 C ATOM 1569 C ILE A 101 1.038 -11.391 3.434 1.00 10.35 C ATOM 1570 O ILE A 101 0.052 -10.916 2.882 1.00 63.13 O ATOM 1571 CB ILE A 101 2.744 -10.058 2.111 1.00 73.14 C ATOM 1572 CG1 ILE A 101 3.924 -10.152 1.083 1.00 52.12 C ATOM 1573 CG2 ILE A 101 3.071 -9.083 3.258 1.00 65.42 C ATOM 1574 CD1 ILE A 101 4.205 -8.868 0.310 1.00 51.14 C ATOM 0 H ILE A 101 1.769 -12.131 0.826 1.00 72.32 H new ATOM 0 HA ILE A 101 3.186 -11.745 3.383 1.00 50.31 H new ATOM 0 HB ILE A 101 1.882 -9.677 1.564 1.00 73.14 H new ATOM 0 HG12 ILE A 101 4.829 -10.443 1.616 1.00 52.12 H new ATOM 0 HG13 ILE A 101 3.704 -10.947 0.371 1.00 52.12 H new ATOM 0 HG21 ILE A 101 3.322 -8.106 2.845 1.00 65.42 H new ATOM 0 HG22 ILE A 101 2.205 -8.988 3.913 1.00 65.42 H new ATOM 0 HG23 ILE A 101 3.918 -9.464 3.829 1.00 65.42 H new ATOM 0 HD11 ILE A 101 5.037 -9.031 -0.376 1.00 51.14 H new ATOM 0 HD12 ILE A 101 3.318 -8.583 -0.256 1.00 51.14 H new ATOM 0 HD13 ILE A 101 4.461 -8.071 1.009 1.00 51.14 H new ATOM 1586 N ARG A 102 0.995 -11.896 4.657 1.00 62.23 N ATOM 1587 CA ARG A 102 -0.241 -11.938 5.450 1.00 25.04 C ATOM 1588 C ARG A 102 -0.474 -10.617 6.209 1.00 15.24 C ATOM 1589 O ARG A 102 -1.622 -10.215 6.435 1.00 52.31 O ATOM 1590 CB ARG A 102 -0.186 -13.143 6.427 1.00 55.01 C ATOM 1591 CG ARG A 102 -0.402 -14.523 5.761 1.00 53.11 C ATOM 1592 CD ARG A 102 -1.841 -14.711 5.244 1.00 50.34 C ATOM 1593 NE ARG A 102 -2.846 -14.437 6.294 1.00 10.33 N ATOM 1594 CZ ARG A 102 -3.476 -15.365 7.051 1.00 1.44 C ATOM 1595 NH1 ARG A 102 -3.237 -16.666 6.904 1.00 50.15 N ATOM 1596 NH2 ARG A 102 -4.347 -14.976 7.973 1.00 44.15 N ATOM 0 H ARG A 102 1.807 -12.288 5.133 1.00 62.23 H new ATOM 0 HA ARG A 102 -1.085 -12.065 4.773 1.00 25.04 H new ATOM 0 HB2 ARG A 102 0.782 -13.144 6.928 1.00 55.01 H new ATOM 0 HB3 ARG A 102 -0.944 -13.004 7.198 1.00 55.01 H new ATOM 0 HG2 ARG A 102 0.296 -14.635 4.931 1.00 53.11 H new ATOM 0 HG3 ARG A 102 -0.172 -15.309 6.480 1.00 53.11 H new ATOM 0 HD2 ARG A 102 -2.012 -14.047 4.396 1.00 50.34 H new ATOM 0 HD3 ARG A 102 -1.965 -15.731 4.880 1.00 50.34 H new ATOM 0 HE ARG A 102 -3.086 -13.460 6.463 1.00 10.33 H new ATOM 0 HH11 ARG A 102 -2.564 -16.985 6.207 1.00 50.15 H new ATOM 0 HH12 ARG A 102 -3.726 -17.344 7.488 1.00 50.15 H new ATOM 0 HH21 ARG A 102 -4.538 -13.983 8.108 1.00 44.15 H new ATOM 0 HH22 ARG A 102 -4.826 -15.670 8.547 1.00 44.15 H new ATOM 1610 N ARG A 103 0.616 -9.924 6.556 1.00 34.43 N ATOM 1611 CA ARG A 103 0.601 -8.829 7.548 1.00 40.44 C ATOM 1612 C ARG A 103 1.304 -7.592 6.967 1.00 12.11 C ATOM 1613 O ARG A 103 2.292 -7.731 6.243 1.00 45.13 O ATOM 1614 CB ARG A 103 1.314 -9.327 8.842 1.00 72.30 C ATOM 1615 CG ARG A 103 0.701 -10.629 9.432 1.00 63.45 C ATOM 1616 CD ARG A 103 1.563 -11.296 10.509 1.00 13.12 C ATOM 1617 NE ARG A 103 1.099 -12.665 10.819 1.00 4.40 N ATOM 1618 CZ ARG A 103 1.895 -13.732 11.032 1.00 73.52 C ATOM 1619 NH1 ARG A 103 3.224 -13.619 10.992 1.00 64.13 N ATOM 1620 NH2 ARG A 103 1.353 -14.920 11.270 1.00 10.40 N ATOM 0 H ARG A 103 1.539 -10.103 6.159 1.00 34.43 H new ATOM 0 HA ARG A 103 -0.423 -8.546 7.791 1.00 40.44 H new ATOM 0 HB2 ARG A 103 2.368 -9.499 8.622 1.00 72.30 H new ATOM 0 HB3 ARG A 103 1.270 -8.541 9.596 1.00 72.30 H new ATOM 0 HG2 ARG A 103 -0.276 -10.398 9.856 1.00 63.45 H new ATOM 0 HG3 ARG A 103 0.537 -11.340 8.622 1.00 63.45 H new ATOM 0 HD2 ARG A 103 2.599 -11.332 10.173 1.00 13.12 H new ATOM 0 HD3 ARG A 103 1.542 -10.692 11.416 1.00 13.12 H new ATOM 0 HE ARG A 103 0.092 -12.815 10.877 1.00 4.40 H new ATOM 0 HH11 ARG A 103 3.653 -12.714 10.798 1.00 64.13 H new ATOM 0 HH12 ARG A 103 3.811 -14.437 11.156 1.00 64.13 H new ATOM 0 HH21 ARG A 103 0.338 -15.023 11.291 1.00 10.40 H new ATOM 0 HH22 ARG A 103 1.951 -15.730 11.432 1.00 10.40 H new ATOM 1634 N VAL A 104 0.780 -6.389 7.277 1.00 4.15 N ATOM 1635 CA VAL A 104 1.335 -5.109 6.791 1.00 53.15 C ATOM 1636 C VAL A 104 1.138 -3.996 7.844 1.00 64.43 C ATOM 1637 O VAL A 104 0.111 -3.950 8.532 1.00 41.41 O ATOM 1638 CB VAL A 104 0.705 -4.688 5.401 1.00 13.13 C ATOM 1639 CG1 VAL A 104 -0.831 -4.534 5.476 1.00 23.31 C ATOM 1640 CG2 VAL A 104 1.380 -3.412 4.831 1.00 22.34 C ATOM 0 H VAL A 104 -0.041 -6.277 7.872 1.00 4.15 H new ATOM 0 HA VAL A 104 2.404 -5.251 6.634 1.00 53.15 H new ATOM 0 HB VAL A 104 0.905 -5.503 4.706 1.00 13.13 H new ATOM 0 HG11 VAL A 104 -1.216 -4.244 4.498 1.00 23.31 H new ATOM 0 HG12 VAL A 104 -1.278 -5.482 5.775 1.00 23.31 H new ATOM 0 HG13 VAL A 104 -1.084 -3.767 6.207 1.00 23.31 H new ATOM 0 HG21 VAL A 104 0.922 -3.153 3.876 1.00 22.34 H new ATOM 0 HG22 VAL A 104 1.249 -2.587 5.532 1.00 22.34 H new ATOM 0 HG23 VAL A 104 2.444 -3.598 4.684 1.00 22.34 H new ATOM 1650 N THR A 105 2.144 -3.117 7.973 1.00 51.43 N ATOM 1651 CA THR A 105 2.120 -1.957 8.881 1.00 35.45 C ATOM 1652 C THR A 105 2.267 -0.668 8.048 1.00 33.10 C ATOM 1653 O THR A 105 3.015 -0.650 7.078 1.00 43.13 O ATOM 1654 CB THR A 105 3.297 -2.058 9.913 1.00 72.34 C ATOM 1655 OG1 THR A 105 3.291 -3.352 10.537 1.00 24.13 O ATOM 1656 CG2 THR A 105 3.224 -0.977 11.000 1.00 54.31 C ATOM 0 H THR A 105 3.011 -3.192 7.441 1.00 51.43 H new ATOM 0 HA THR A 105 1.177 -1.940 9.427 1.00 35.45 H new ATOM 0 HB THR A 105 4.221 -1.906 9.355 1.00 72.34 H new ATOM 0 HG1 THR A 105 4.029 -3.409 11.179 1.00 24.13 H new ATOM 0 HG21 THR A 105 4.062 -1.094 11.687 1.00 54.31 H new ATOM 0 HG22 THR A 105 3.270 0.009 10.537 1.00 54.31 H new ATOM 0 HG23 THR A 105 2.288 -1.077 11.550 1.00 54.31 H new ATOM 1664 N VAL A 106 1.548 0.401 8.420 1.00 2.12 N ATOM 1665 CA VAL A 106 1.641 1.711 7.735 1.00 42.24 C ATOM 1666 C VAL A 106 2.361 2.721 8.652 1.00 14.10 C ATOM 1667 O VAL A 106 1.821 3.115 9.692 1.00 42.44 O ATOM 1668 CB VAL A 106 0.216 2.263 7.328 1.00 0.51 C ATOM 1669 CG1 VAL A 106 0.324 3.626 6.594 1.00 15.05 C ATOM 1670 CG2 VAL A 106 -0.553 1.228 6.470 1.00 22.41 C ATOM 0 H VAL A 106 0.888 0.389 9.198 1.00 2.12 H new ATOM 0 HA VAL A 106 2.212 1.574 6.817 1.00 42.24 H new ATOM 0 HB VAL A 106 -0.349 2.429 8.245 1.00 0.51 H new ATOM 0 HG11 VAL A 106 -0.673 3.976 6.329 1.00 15.05 H new ATOM 0 HG12 VAL A 106 0.802 4.355 7.248 1.00 15.05 H new ATOM 0 HG13 VAL A 106 0.919 3.506 5.689 1.00 15.05 H new ATOM 0 HG21 VAL A 106 -1.530 1.631 6.203 1.00 22.41 H new ATOM 0 HG22 VAL A 106 0.012 1.016 5.563 1.00 22.41 H new ATOM 0 HG23 VAL A 106 -0.684 0.308 7.040 1.00 22.41 H new ATOM 1680 N THR A 107 3.594 3.103 8.274 1.00 14.23 N ATOM 1681 CA THR A 107 4.397 4.100 9.003 1.00 2.14 C ATOM 1682 C THR A 107 4.367 5.449 8.243 1.00 3.52 C ATOM 1683 O THR A 107 5.019 5.603 7.213 1.00 70.54 O ATOM 1684 CB THR A 107 5.870 3.585 9.163 1.00 14.42 C ATOM 1685 OG1 THR A 107 5.868 2.289 9.789 1.00 2.44 O ATOM 1686 CG2 THR A 107 6.750 4.544 9.984 1.00 23.51 C ATOM 0 H THR A 107 4.063 2.727 7.450 1.00 14.23 H new ATOM 0 HA THR A 107 3.976 4.251 9.997 1.00 2.14 H new ATOM 0 HB THR A 107 6.296 3.526 8.161 1.00 14.42 H new ATOM 0 HG1 THR A 107 6.790 1.971 9.885 1.00 2.44 H new ATOM 0 HG21 THR A 107 7.758 4.136 10.062 1.00 23.51 H new ATOM 0 HG22 THR A 107 6.788 5.515 9.490 1.00 23.51 H new ATOM 0 HG23 THR A 107 6.328 4.661 10.982 1.00 23.51 H new ATOM 1694 N GLN A 108 3.596 6.421 8.761 1.00 63.11 N ATOM 1695 CA GLN A 108 3.448 7.747 8.133 1.00 50.21 C ATOM 1696 C GLN A 108 4.520 8.712 8.686 1.00 71.52 C ATOM 1697 O GLN A 108 4.367 9.289 9.774 1.00 62.42 O ATOM 1698 CB GLN A 108 2.018 8.308 8.361 1.00 25.41 C ATOM 1699 CG GLN A 108 1.754 9.681 7.689 1.00 71.42 C ATOM 1700 CD GLN A 108 0.357 10.248 7.966 1.00 34.11 C ATOM 1701 OE1 GLN A 108 -0.602 9.512 8.195 1.00 3.25 O ATOM 1702 NE2 GLN A 108 0.229 11.562 7.932 1.00 61.00 N ATOM 0 H GLN A 108 3.060 6.311 9.622 1.00 63.11 H new ATOM 0 HA GLN A 108 3.594 7.647 7.058 1.00 50.21 H new ATOM 0 HB2 GLN A 108 1.293 7.587 7.983 1.00 25.41 H new ATOM 0 HB3 GLN A 108 1.844 8.402 9.433 1.00 25.41 H new ATOM 0 HG2 GLN A 108 2.501 10.395 8.037 1.00 71.42 H new ATOM 0 HG3 GLN A 108 1.887 9.579 6.612 1.00 71.42 H new ATOM 0 HE21 GLN A 108 1.041 12.149 7.740 1.00 61.00 H new ATOM 0 HE22 GLN A 108 -0.682 11.990 8.098 1.00 61.00 H new ATOM 1711 N ASN A 109 5.620 8.830 7.938 1.00 22.32 N ATOM 1712 CA ASN A 109 6.718 9.765 8.226 1.00 74.24 C ATOM 1713 C ASN A 109 6.351 11.171 7.710 1.00 20.43 C ATOM 1714 O ASN A 109 6.618 11.515 6.545 1.00 64.04 O ATOM 1715 CB ASN A 109 8.035 9.264 7.568 1.00 45.15 C ATOM 1716 CG ASN A 109 8.435 7.862 8.023 1.00 25.23 C ATOM 1717 OD1 ASN A 109 9.238 7.694 8.946 1.00 0.21 O ATOM 1718 ND2 ASN A 109 7.842 6.845 7.408 1.00 12.03 N ATOM 0 H ASN A 109 5.778 8.270 7.100 1.00 22.32 H new ATOM 0 HA ASN A 109 6.874 9.817 9.304 1.00 74.24 H new ATOM 0 HB2 ASN A 109 7.918 9.268 6.484 1.00 45.15 H new ATOM 0 HB3 ASN A 109 8.840 9.960 7.804 1.00 45.15 H new ATOM 0 HD21 ASN A 109 8.045 5.887 7.695 1.00 12.03 H new ATOM 0 HD22 ASN A 109 7.184 7.022 6.649 1.00 12.03 H new