USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 740 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 68 THR OG1 : rot 100:sc= -0.88 USER MOD Set 1.2: A 71 GLN : amide:sc= -0.257 X(o=-1.1,f=-1.5) USER MOD Set 2.1: A 40 SER OG : rot 170:sc= 0.0293 USER MOD Set 2.2: A 63 ASN : amide:sc= -0.12 X(o=-0.09,f=-0.51) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 43:sc= 0.394 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00652 USER MOD Single : A 9 GLN : amide:sc= -0.0402 X(o=-0.04,f=-0.29) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -1.63 K(o=-1.6,f=-7.2!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 32 MET CE :methyl 175:sc= -2.49! (180deg=-2.66!) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -149:sc= 1.09 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -159:sc= -1.58 USER MOD Single : A 53 HIS : no HE2:sc= -1.73 K(o=-1.7,f=-3!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -116:sc= -2.25 (180deg=-4.07) USER MOD Single : A 75 ASN : amide:sc= -1.9 X(o=-1.9,f=-1.4) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -163:sc= -0.109 (180deg=-0.52) USER MOD Single : A 83 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.15) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0272 K(o=-0.027,f=-1.3) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 47:sc= 0.0306 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.509 30.334 0.774 1.00 0.00 N ATOM 2 CA GLY A 1 -6.545 31.255 1.316 1.00 0.00 C ATOM 3 C GLY A 1 -6.636 32.550 0.534 1.00 0.00 C ATOM 4 O GLY A 1 -6.678 32.539 -0.696 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.486 29.464 1.343 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.737 30.097 -0.213 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.579 30.797 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.514 30.756 1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.318 31.479 2.358 1.00 0.00 H new ATOM 10 N SER A 2 -6.665 33.671 1.249 1.00 0.00 N ATOM 11 CA SER A 2 -6.751 34.981 0.615 1.00 0.00 C ATOM 12 C SER A 2 -5.362 35.544 0.338 1.00 0.00 C ATOM 13 O SER A 2 -5.062 35.964 -0.779 1.00 0.00 O ATOM 14 CB SER A 2 -7.540 35.948 1.499 1.00 0.00 C ATOM 15 OG SER A 2 -8.914 35.603 1.534 1.00 0.00 O ATOM 0 H SER A 2 -6.630 33.698 2.268 1.00 0.00 H new ATOM 0 HA SER A 2 -7.271 34.863 -0.336 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.133 35.936 2.510 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.427 36.965 1.122 1.00 0.00 H new ATOM 0 HG SER A 2 -9.396 36.235 2.107 1.00 0.00 H new ATOM 21 N SER A 3 -4.517 35.549 1.364 1.00 0.00 N ATOM 22 CA SER A 3 -3.158 36.061 1.231 1.00 0.00 C ATOM 23 C SER A 3 -2.299 35.640 2.420 1.00 0.00 C ATOM 24 O SER A 3 -2.192 36.364 3.410 1.00 0.00 O ATOM 25 CB SER A 3 -3.173 37.587 1.115 1.00 0.00 C ATOM 26 OG SER A 3 -2.185 38.039 0.205 1.00 0.00 O ATOM 0 H SER A 3 -4.749 35.205 2.296 1.00 0.00 H new ATOM 0 HA SER A 3 -2.726 35.639 0.324 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.157 37.920 0.784 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.000 38.031 2.095 1.00 0.00 H new ATOM 0 HG SER A 3 -2.216 39.017 0.147 1.00 0.00 H new ATOM 32 N GLY A 4 -1.688 34.464 2.315 1.00 0.00 N ATOM 33 CA GLY A 4 -0.846 33.967 3.387 1.00 0.00 C ATOM 34 C GLY A 4 -1.651 33.434 4.556 1.00 0.00 C ATOM 35 O GLY A 4 -1.592 32.244 4.867 1.00 0.00 O ATOM 0 H GLY A 4 -1.761 33.847 1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.202 33.176 3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.194 34.768 3.734 1.00 0.00 H new ATOM 39 N SER A 5 -2.404 34.315 5.205 1.00 0.00 N ATOM 40 CA SER A 5 -3.224 33.926 6.348 1.00 0.00 C ATOM 41 C SER A 5 -4.329 32.966 5.921 1.00 0.00 C ATOM 42 O SER A 5 -5.290 33.363 5.263 1.00 0.00 O ATOM 43 CB SER A 5 -3.834 35.163 7.008 1.00 0.00 C ATOM 44 OG SER A 5 -4.513 35.967 6.059 1.00 0.00 O ATOM 0 H SER A 5 -2.464 35.303 4.960 1.00 0.00 H new ATOM 0 HA SER A 5 -2.583 33.417 7.068 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.527 34.856 7.791 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.049 35.747 7.488 1.00 0.00 H new ATOM 0 HG SER A 5 -5.031 35.394 5.456 1.00 0.00 H new ATOM 50 N SER A 6 -4.185 31.700 6.301 1.00 0.00 N ATOM 51 CA SER A 6 -5.171 30.683 5.958 1.00 0.00 C ATOM 52 C SER A 6 -5.229 29.598 7.029 1.00 0.00 C ATOM 53 O SER A 6 -4.571 28.564 6.915 1.00 0.00 O ATOM 54 CB SER A 6 -4.841 30.058 4.601 1.00 0.00 C ATOM 55 OG SER A 6 -5.578 28.866 4.394 1.00 0.00 O ATOM 0 H SER A 6 -3.395 31.355 6.846 1.00 0.00 H new ATOM 0 HA SER A 6 -6.147 31.165 5.900 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.064 30.769 3.806 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.774 29.843 4.546 1.00 0.00 H new ATOM 0 HG SER A 6 -5.350 28.488 3.519 1.00 0.00 H new ATOM 61 N GLY A 7 -6.020 29.841 8.068 1.00 0.00 N ATOM 62 CA GLY A 7 -6.149 28.877 9.144 1.00 0.00 C ATOM 63 C GLY A 7 -5.354 29.268 10.374 1.00 0.00 C ATOM 64 O GLY A 7 -4.505 30.157 10.315 1.00 0.00 O ATOM 0 H GLY A 7 -6.575 30.689 8.184 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.201 28.776 9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.814 27.900 8.794 1.00 0.00 H new ATOM 68 N LEU A 8 -5.630 28.603 11.491 1.00 0.00 N ATOM 69 CA LEU A 8 -4.934 28.887 12.741 1.00 0.00 C ATOM 70 C LEU A 8 -3.805 27.886 12.974 1.00 0.00 C ATOM 71 O LEU A 8 -2.629 28.247 12.953 1.00 0.00 O ATOM 72 CB LEU A 8 -5.916 28.852 13.914 1.00 0.00 C ATOM 73 CG LEU A 8 -6.414 30.220 14.383 1.00 0.00 C ATOM 74 CD1 LEU A 8 -7.132 30.941 13.252 1.00 0.00 C ATOM 75 CD2 LEU A 8 -7.330 30.069 15.588 1.00 0.00 C ATOM 0 H LEU A 8 -6.330 27.864 11.556 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.501 29.885 12.670 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.777 28.247 13.629 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.437 28.349 14.754 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.553 30.818 14.680 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.480 31.913 13.603 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.446 31.081 12.417 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.985 30.347 12.925 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.675 31.052 15.908 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.188 29.454 15.318 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.784 29.593 16.403 1.00 0.00 H new ATOM 87 N GLN A 9 -4.173 26.629 13.194 1.00 0.00 N ATOM 88 CA GLN A 9 -3.191 25.576 13.431 1.00 0.00 C ATOM 89 C GLN A 9 -2.801 24.893 12.123 1.00 0.00 C ATOM 90 O GLN A 9 -3.636 24.700 11.239 1.00 0.00 O ATOM 91 CB GLN A 9 -3.746 24.545 14.417 1.00 0.00 C ATOM 92 CG GLN A 9 -2.790 24.212 15.550 1.00 0.00 C ATOM 93 CD GLN A 9 -3.486 24.130 16.895 1.00 0.00 C ATOM 94 OE1 GLN A 9 -4.644 23.719 16.984 1.00 0.00 O ATOM 95 NE2 GLN A 9 -2.782 24.521 17.951 1.00 0.00 N ATOM 0 H GLN A 9 -5.143 26.314 13.213 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.299 26.033 13.860 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.678 24.922 14.838 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.988 23.630 13.876 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -2.300 23.261 15.340 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.008 24.970 15.595 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.826 24.855 17.831 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -3.198 24.488 18.882 1.00 0.00 H new ATOM 104 N GLN A 10 -1.528 24.529 12.008 1.00 0.00 N ATOM 105 CA GLN A 10 -1.029 23.866 10.809 1.00 0.00 C ATOM 106 C GLN A 10 0.349 23.259 11.056 1.00 0.00 C ATOM 107 O GLN A 10 1.215 23.281 10.181 1.00 0.00 O ATOM 108 CB GLN A 10 -0.964 24.858 9.644 1.00 0.00 C ATOM 109 CG GLN A 10 -1.568 24.322 8.356 1.00 0.00 C ATOM 110 CD GLN A 10 -2.382 25.367 7.617 1.00 0.00 C ATOM 111 OE1 GLN A 10 -1.860 26.095 6.773 1.00 0.00 O ATOM 112 NE2 GLN A 10 -3.670 25.444 7.931 1.00 0.00 N ATOM 0 H GLN A 10 -0.824 24.682 12.730 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.718 23.061 10.554 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.485 25.773 9.927 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.077 25.126 9.464 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.770 23.962 7.707 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.203 23.466 8.585 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.061 24.820 8.637 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.268 26.127 7.466 1.00 0.00 H new ATOM 121 N GLN A 11 0.545 22.718 12.254 1.00 0.00 N ATOM 122 CA GLN A 11 1.818 22.105 12.617 1.00 0.00 C ATOM 123 C GLN A 11 2.062 20.837 11.805 1.00 0.00 C ATOM 124 O GLN A 11 1.160 20.019 11.626 1.00 0.00 O ATOM 125 CB GLN A 11 1.842 21.779 14.112 1.00 0.00 C ATOM 126 CG GLN A 11 2.216 22.965 14.986 1.00 0.00 C ATOM 127 CD GLN A 11 1.127 24.018 15.037 1.00 0.00 C ATOM 128 OE1 GLN A 11 -0.030 23.718 15.334 1.00 0.00 O ATOM 129 NE2 GLN A 11 1.491 25.262 14.746 1.00 0.00 N ATOM 0 H GLN A 11 -0.161 22.692 12.990 1.00 0.00 H new ATOM 0 HA GLN A 11 2.613 22.817 12.394 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.860 21.413 14.412 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.551 20.970 14.288 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.425 22.615 15.997 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.134 23.415 14.608 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.461 25.466 14.505 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.801 26.013 14.763 1.00 0.00 H new ATOM 138 N GLU A 12 3.288 20.681 11.316 1.00 0.00 N ATOM 139 CA GLU A 12 3.652 19.512 10.522 1.00 0.00 C ATOM 140 C GLU A 12 4.248 18.421 11.404 1.00 0.00 C ATOM 141 O GLU A 12 4.943 18.706 12.380 1.00 0.00 O ATOM 142 CB GLU A 12 4.647 19.902 9.428 1.00 0.00 C ATOM 143 CG GLU A 12 4.970 18.768 8.468 1.00 0.00 C ATOM 144 CD GLU A 12 6.457 18.490 8.371 1.00 0.00 C ATOM 145 OE1 GLU A 12 7.177 18.753 9.358 1.00 0.00 O ATOM 146 OE2 GLU A 12 6.904 18.010 7.308 1.00 0.00 O ATOM 0 H GLU A 12 4.046 21.349 11.455 1.00 0.00 H new ATOM 0 HA GLU A 12 2.747 19.123 10.056 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.242 20.742 8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.570 20.247 9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.456 17.864 8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.585 19.014 7.478 1.00 0.00 H new ATOM 153 N GLU A 13 3.973 17.168 11.054 1.00 0.00 N ATOM 154 CA GLU A 13 4.484 16.032 11.812 1.00 0.00 C ATOM 155 C GLU A 13 4.459 14.760 10.971 1.00 0.00 C ATOM 156 O GLU A 13 5.489 14.118 10.767 1.00 0.00 O ATOM 157 CB GLU A 13 3.660 15.830 13.086 1.00 0.00 C ATOM 158 CG GLU A 13 4.319 14.905 14.096 1.00 0.00 C ATOM 159 CD GLU A 13 3.634 14.937 15.448 1.00 0.00 C ATOM 160 OE1 GLU A 13 3.607 16.018 16.075 1.00 0.00 O ATOM 161 OE2 GLU A 13 3.124 13.883 15.880 1.00 0.00 O ATOM 0 H GLU A 13 3.399 16.914 10.250 1.00 0.00 H new ATOM 0 HA GLU A 13 5.517 16.245 12.085 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.485 16.799 13.553 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.684 15.425 12.817 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.308 13.885 13.711 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.365 15.189 14.216 1.00 0.00 H new ATOM 168 N GLU A 14 3.274 14.403 10.483 1.00 0.00 N ATOM 169 CA GLU A 14 3.116 13.208 9.662 1.00 0.00 C ATOM 170 C GLU A 14 2.255 13.502 8.438 1.00 0.00 C ATOM 171 O GLU A 14 1.029 13.565 8.528 1.00 0.00 O ATOM 172 CB GLU A 14 2.490 12.078 10.486 1.00 0.00 C ATOM 173 CG GLU A 14 3.328 10.810 10.513 1.00 0.00 C ATOM 174 CD GLU A 14 3.854 10.486 11.899 1.00 0.00 C ATOM 175 OE1 GLU A 14 4.941 10.989 12.254 1.00 0.00 O ATOM 176 OE2 GLU A 14 3.178 9.731 12.628 1.00 0.00 O ATOM 0 H GLU A 14 2.411 14.923 10.642 1.00 0.00 H new ATOM 0 HA GLU A 14 4.103 12.895 9.322 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.338 12.425 11.508 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.506 11.845 10.079 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.728 9.975 10.152 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.168 10.919 9.826 1.00 0.00 H new ATOM 183 N THR A 15 2.905 13.681 7.292 1.00 0.00 N ATOM 184 CA THR A 15 2.199 13.970 6.049 1.00 0.00 C ATOM 185 C THR A 15 2.559 12.957 4.967 1.00 0.00 C ATOM 186 O THR A 15 1.691 12.480 4.236 1.00 0.00 O ATOM 187 CB THR A 15 2.529 15.385 5.569 1.00 0.00 C ATOM 188 OG1 THR A 15 2.265 16.334 6.586 1.00 0.00 O ATOM 189 CG2 THR A 15 1.746 15.797 4.341 1.00 0.00 C ATOM 0 H THR A 15 3.919 13.631 7.199 1.00 0.00 H new ATOM 0 HA THR A 15 1.129 13.899 6.244 1.00 0.00 H new ATOM 0 HB THR A 15 3.589 15.365 5.315 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.484 17.232 6.260 1.00 0.00 H new ATOM 0 HG21 THR A 15 2.027 16.810 4.053 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.967 15.112 3.522 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.679 15.766 4.562 1.00 0.00 H new ATOM 197 N TYR A 16 3.844 12.633 4.869 1.00 0.00 N ATOM 198 CA TYR A 16 4.318 11.677 3.874 1.00 0.00 C ATOM 199 C TYR A 16 4.031 12.179 2.462 1.00 0.00 C ATOM 200 O TYR A 16 3.453 11.465 1.642 1.00 0.00 O ATOM 201 CB TYR A 16 3.658 10.313 4.091 1.00 0.00 C ATOM 202 CG TYR A 16 4.010 9.674 5.416 1.00 0.00 C ATOM 203 CD1 TYR A 16 5.279 9.158 5.645 1.00 0.00 C ATOM 204 CD2 TYR A 16 3.072 9.585 6.437 1.00 0.00 C ATOM 205 CE1 TYR A 16 5.604 8.573 6.853 1.00 0.00 C ATOM 206 CE2 TYR A 16 3.390 9.002 7.648 1.00 0.00 C ATOM 207 CZ TYR A 16 4.656 8.497 7.851 1.00 0.00 C ATOM 208 OH TYR A 16 4.976 7.915 9.057 1.00 0.00 O ATOM 0 H TYR A 16 4.576 13.018 5.466 1.00 0.00 H new ATOM 0 HA TYR A 16 5.397 11.571 3.990 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.576 10.428 4.029 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.954 9.643 3.284 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.024 9.215 4.865 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.078 9.978 6.281 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.596 8.177 7.015 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.650 8.942 8.432 1.00 0.00 H new ATOM 0 HH TYR A 16 4.197 7.943 9.651 1.00 0.00 H new ATOM 218 N ALA A 17 4.440 13.412 2.184 1.00 0.00 N ATOM 219 CA ALA A 17 4.228 14.012 0.873 1.00 0.00 C ATOM 220 C ALA A 17 5.136 13.381 -0.178 1.00 0.00 C ATOM 221 O ALA A 17 4.823 13.393 -1.369 1.00 0.00 O ATOM 222 CB ALA A 17 4.460 15.515 0.938 1.00 0.00 C ATOM 0 H ALA A 17 4.921 14.016 2.851 1.00 0.00 H new ATOM 0 HA ALA A 17 3.195 13.825 0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.298 15.951 -0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.765 15.960 1.650 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.483 15.712 1.258 1.00 0.00 H new ATOM 228 N ASP A 18 6.264 12.833 0.266 1.00 0.00 N ATOM 229 CA ASP A 18 7.214 12.201 -0.642 1.00 0.00 C ATOM 230 C ASP A 18 7.014 10.688 -0.680 1.00 0.00 C ATOM 231 O ASP A 18 7.959 9.934 -0.913 1.00 0.00 O ATOM 232 CB ASP A 18 8.647 12.525 -0.216 1.00 0.00 C ATOM 233 CG ASP A 18 8.866 14.012 -0.013 1.00 0.00 C ATOM 234 OD1 ASP A 18 8.287 14.572 0.942 1.00 0.00 O ATOM 235 OD2 ASP A 18 9.617 14.617 -0.807 1.00 0.00 O ATOM 0 H ASP A 18 6.541 12.814 1.247 1.00 0.00 H new ATOM 0 HA ASP A 18 7.038 12.596 -1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.877 11.997 0.709 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.340 12.158 -0.973 1.00 0.00 H new ATOM 240 N ALA A 19 5.779 10.251 -0.451 1.00 0.00 N ATOM 241 CA ALA A 19 5.459 8.829 -0.463 1.00 0.00 C ATOM 242 C ALA A 19 5.074 8.366 -1.864 1.00 0.00 C ATOM 243 O ALA A 19 4.606 9.157 -2.682 1.00 0.00 O ATOM 244 CB ALA A 19 4.337 8.533 0.520 1.00 0.00 C ATOM 0 H ALA A 19 4.985 10.861 -0.255 1.00 0.00 H new ATOM 0 HA ALA A 19 6.349 8.278 -0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.108 7.467 0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.648 8.819 1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.449 9.100 0.240 1.00 0.00 H new ATOM 250 N CYS A 20 5.274 7.080 -2.133 1.00 0.00 N ATOM 251 CA CYS A 20 4.948 6.514 -3.437 1.00 0.00 C ATOM 252 C CYS A 20 3.517 5.984 -3.458 1.00 0.00 C ATOM 253 O CYS A 20 2.946 5.670 -2.415 1.00 0.00 O ATOM 254 CB CYS A 20 5.925 5.390 -3.787 1.00 0.00 C ATOM 255 SG CYS A 20 7.455 5.958 -4.565 1.00 0.00 S ATOM 0 H CYS A 20 5.660 6.411 -1.467 1.00 0.00 H new ATOM 0 HA CYS A 20 5.034 7.306 -4.181 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.174 4.843 -2.878 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.429 4.687 -4.456 1.00 0.00 H new ATOM 0 HG CYS A 20 8.217 4.936 -4.821 1.00 0.00 H new ATOM 261 N ASP A 21 2.946 5.887 -4.654 1.00 0.00 N ATOM 262 CA ASP A 21 1.582 5.396 -4.812 1.00 0.00 C ATOM 263 C ASP A 21 1.473 3.941 -4.365 1.00 0.00 C ATOM 264 O ASP A 21 0.427 3.506 -3.886 1.00 0.00 O ATOM 265 CB ASP A 21 1.136 5.533 -6.270 1.00 0.00 C ATOM 266 CG ASP A 21 -0.157 6.314 -6.408 1.00 0.00 C ATOM 267 OD1 ASP A 21 -0.284 7.372 -5.757 1.00 0.00 O ATOM 268 OD2 ASP A 21 -1.043 5.866 -7.167 1.00 0.00 O ATOM 0 H ASP A 21 3.406 6.142 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 21 0.928 5.999 -4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.920 6.029 -6.842 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.006 4.541 -6.702 1.00 0.00 H new ATOM 273 N GLU A 22 2.562 3.195 -4.526 1.00 0.00 N ATOM 274 CA GLU A 22 2.590 1.789 -4.139 1.00 0.00 C ATOM 275 C GLU A 22 2.297 1.630 -2.650 1.00 0.00 C ATOM 276 O GLU A 22 1.721 0.628 -2.224 1.00 0.00 O ATOM 277 CB GLU A 22 3.950 1.173 -4.476 1.00 0.00 C ATOM 278 CG GLU A 22 3.853 -0.215 -5.086 1.00 0.00 C ATOM 279 CD GLU A 22 5.155 -0.664 -5.722 1.00 0.00 C ATOM 280 OE1 GLU A 22 5.495 -0.145 -6.806 1.00 0.00 O ATOM 281 OE2 GLU A 22 5.833 -1.534 -5.137 1.00 0.00 O ATOM 0 H GLU A 22 3.436 3.541 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 22 1.815 1.266 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.476 1.830 -5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.551 1.121 -3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.565 -0.928 -4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.064 -0.223 -5.838 1.00 0.00 H new ATOM 288 N PHE A 23 2.701 2.622 -1.864 1.00 0.00 N ATOM 289 CA PHE A 23 2.482 2.593 -0.422 1.00 0.00 C ATOM 290 C PHE A 23 1.135 3.210 -0.063 1.00 0.00 C ATOM 291 O PHE A 23 0.500 2.815 0.914 1.00 0.00 O ATOM 292 CB PHE A 23 3.606 3.337 0.301 1.00 0.00 C ATOM 293 CG PHE A 23 4.973 2.778 0.026 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.197 1.412 0.058 1.00 0.00 C ATOM 295 CD2 PHE A 23 6.033 3.621 -0.266 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.453 0.895 -0.196 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.292 3.111 -0.521 1.00 0.00 C ATOM 298 CZ PHE A 23 7.503 1.746 -0.485 1.00 0.00 C ATOM 0 H PHE A 23 3.182 3.456 -2.201 1.00 0.00 H new ATOM 0 HA PHE A 23 2.480 1.551 -0.101 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.585 4.386 0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.419 3.306 1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.380 0.743 0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.874 4.689 -0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.614 -0.173 -0.169 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.110 3.779 -0.748 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.486 1.345 -0.682 1.00 0.00 H new ATOM 308 N LEU A 24 0.704 4.182 -0.861 1.00 0.00 N ATOM 309 CA LEU A 24 -0.569 4.855 -0.628 1.00 0.00 C ATOM 310 C LEU A 24 -1.731 3.872 -0.720 1.00 0.00 C ATOM 311 O LEU A 24 -1.582 2.767 -1.242 1.00 0.00 O ATOM 312 CB LEU A 24 -0.764 5.988 -1.638 1.00 0.00 C ATOM 313 CG LEU A 24 -0.083 7.308 -1.272 1.00 0.00 C ATOM 314 CD1 LEU A 24 -0.396 8.375 -2.308 1.00 0.00 C ATOM 315 CD2 LEU A 24 -0.517 7.763 0.114 1.00 0.00 C ATOM 0 H LEU A 24 1.218 4.521 -1.674 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.550 5.273 0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.387 5.659 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.832 6.169 -1.756 1.00 0.00 H new ATOM 0 HG LEU A 24 0.995 7.149 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.097 9.307 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.036 8.051 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.473 8.534 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.024 8.703 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.598 7.906 0.128 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.241 7.006 0.848 1.00 0.00 H new ATOM 327 N ASP A 25 -2.888 4.283 -0.210 1.00 0.00 N ATOM 328 CA ASP A 25 -4.077 3.439 -0.235 1.00 0.00 C ATOM 329 C ASP A 25 -4.976 3.804 -1.415 1.00 0.00 C ATOM 330 O ASP A 25 -5.175 4.983 -1.709 1.00 0.00 O ATOM 331 CB ASP A 25 -4.854 3.581 1.077 1.00 0.00 C ATOM 332 CG ASP A 25 -5.866 2.471 1.274 1.00 0.00 C ATOM 333 OD1 ASP A 25 -6.968 2.562 0.693 1.00 0.00 O ATOM 334 OD2 ASP A 25 -5.558 1.510 2.010 1.00 0.00 O ATOM 0 H ASP A 25 -3.027 5.195 0.225 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.758 2.403 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.154 3.582 1.912 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.367 4.543 1.090 1.00 0.00 H new ATOM 339 N PRO A 26 -5.535 2.798 -2.111 1.00 0.00 N ATOM 340 CA PRO A 26 -6.414 3.030 -3.262 1.00 0.00 C ATOM 341 C PRO A 26 -7.718 3.716 -2.868 1.00 0.00 C ATOM 342 O PRO A 26 -8.350 4.386 -3.685 1.00 0.00 O ATOM 343 CB PRO A 26 -6.692 1.622 -3.796 1.00 0.00 C ATOM 344 CG PRO A 26 -6.453 0.719 -2.636 1.00 0.00 C ATOM 345 CD PRO A 26 -5.356 1.361 -1.834 1.00 0.00 C ATOM 0 HA PRO A 26 -5.953 3.692 -3.995 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.715 1.533 -4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.033 1.378 -4.629 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.357 0.603 -2.038 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.161 -0.277 -2.970 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.452 1.141 -0.771 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.372 1.010 -2.144 1.00 0.00 H new ATOM 353 N ILE A 27 -8.119 3.544 -1.612 1.00 0.00 N ATOM 354 CA ILE A 27 -9.350 4.145 -1.114 1.00 0.00 C ATOM 355 C ILE A 27 -9.055 5.302 -0.165 1.00 0.00 C ATOM 356 O ILE A 27 -9.592 6.399 -0.321 1.00 0.00 O ATOM 357 CB ILE A 27 -10.227 3.111 -0.383 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.372 1.844 -1.228 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.592 3.702 -0.067 1.00 0.00 C ATOM 360 CD1 ILE A 27 -11.151 0.744 -0.540 1.00 0.00 C ATOM 0 H ILE A 27 -7.609 2.993 -0.921 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.890 4.519 -1.984 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.742 2.845 0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.867 2.097 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.380 1.471 -1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.200 2.959 0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.471 4.578 0.570 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -12.086 3.994 -0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.214 -0.123 -1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.645 0.463 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -12.156 1.099 -0.310 1.00 0.00 H new ATOM 372 N MET A 28 -8.202 5.049 0.822 1.00 0.00 N ATOM 373 CA MET A 28 -7.840 6.067 1.800 1.00 0.00 C ATOM 374 C MET A 28 -6.932 7.128 1.182 1.00 0.00 C ATOM 375 O MET A 28 -6.908 8.274 1.632 1.00 0.00 O ATOM 376 CB MET A 28 -7.145 5.425 3.002 1.00 0.00 C ATOM 377 CG MET A 28 -8.105 4.996 4.099 1.00 0.00 C ATOM 378 SD MET A 28 -8.372 6.285 5.330 1.00 0.00 S ATOM 379 CE MET A 28 -10.079 6.716 5.003 1.00 0.00 C ATOM 0 H MET A 28 -7.748 4.147 0.965 1.00 0.00 H new ATOM 0 HA MET A 28 -8.758 6.552 2.132 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.580 4.556 2.664 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.425 6.131 3.416 1.00 0.00 H new ATOM 0 HG2 MET A 28 -9.061 4.721 3.653 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.714 4.105 4.590 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.393 7.504 5.687 1.00 0.00 H new ATOM 0 HE2 MET A 28 -10.175 7.068 3.976 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.710 5.839 5.147 1.00 0.00 H new ATOM 389 N SER A 29 -6.185 6.741 0.152 1.00 0.00 N ATOM 390 CA SER A 29 -5.277 7.663 -0.520 1.00 0.00 C ATOM 391 C SER A 29 -4.214 8.180 0.445 1.00 0.00 C ATOM 392 O SER A 29 -3.731 9.304 0.309 1.00 0.00 O ATOM 393 CB SER A 29 -6.057 8.838 -1.113 1.00 0.00 C ATOM 394 OG SER A 29 -6.953 8.401 -2.119 1.00 0.00 O ATOM 0 H SER A 29 -6.191 5.797 -0.234 1.00 0.00 H new ATOM 0 HA SER A 29 -4.780 7.122 -1.325 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.612 9.345 -0.324 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.362 9.565 -1.532 1.00 0.00 H new ATOM 0 HG SER A 29 -7.440 9.171 -2.480 1.00 0.00 H new ATOM 400 N THR A 30 -3.854 7.351 1.421 1.00 0.00 N ATOM 401 CA THR A 30 -2.848 7.725 2.407 1.00 0.00 C ATOM 402 C THR A 30 -1.853 6.590 2.626 1.00 0.00 C ATOM 403 O THR A 30 -1.995 5.507 2.057 1.00 0.00 O ATOM 404 CB THR A 30 -3.516 8.095 3.733 1.00 0.00 C ATOM 405 OG1 THR A 30 -4.367 7.051 4.174 1.00 0.00 O ATOM 406 CG2 THR A 30 -4.343 9.359 3.654 1.00 0.00 C ATOM 0 H THR A 30 -4.244 6.417 1.549 1.00 0.00 H new ATOM 0 HA THR A 30 -2.307 8.591 2.026 1.00 0.00 H new ATOM 0 HB THR A 30 -2.697 8.260 4.433 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.784 7.305 5.024 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.788 9.564 4.628 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.705 10.194 3.364 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.133 9.232 2.913 1.00 0.00 H new ATOM 414 N LEU A 31 -0.845 6.845 3.455 1.00 0.00 N ATOM 415 CA LEU A 31 0.175 5.844 3.750 1.00 0.00 C ATOM 416 C LEU A 31 -0.450 4.588 4.349 1.00 0.00 C ATOM 417 O LEU A 31 -1.335 4.670 5.202 1.00 0.00 O ATOM 418 CB LEU A 31 1.219 6.417 4.709 1.00 0.00 C ATOM 419 CG LEU A 31 2.646 5.914 4.489 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.340 6.731 3.410 1.00 0.00 C ATOM 421 CD2 LEU A 31 3.435 5.966 5.789 1.00 0.00 C ATOM 0 H LEU A 31 -0.713 7.736 3.934 1.00 0.00 H new ATOM 0 HA LEU A 31 0.663 5.572 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.215 7.503 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.920 6.181 5.730 1.00 0.00 H new ATOM 0 HG LEU A 31 2.598 4.877 4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.354 6.358 3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.787 6.644 2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.377 7.777 3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.448 5.604 5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.474 6.994 6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.949 5.337 6.535 1.00 0.00 H new ATOM 433 N MET A 32 0.016 3.428 3.899 1.00 0.00 N ATOM 434 CA MET A 32 -0.498 2.155 4.391 1.00 0.00 C ATOM 435 C MET A 32 0.483 1.513 5.367 1.00 0.00 C ATOM 436 O MET A 32 1.625 1.220 5.013 1.00 0.00 O ATOM 437 CB MET A 32 -0.769 1.205 3.223 1.00 0.00 C ATOM 438 CG MET A 32 -2.044 1.528 2.461 1.00 0.00 C ATOM 439 SD MET A 32 -2.630 0.140 1.470 1.00 0.00 S ATOM 440 CE MET A 32 -1.193 -0.178 0.450 1.00 0.00 C ATOM 0 H MET A 32 0.749 3.343 3.194 1.00 0.00 H new ATOM 0 HA MET A 32 -1.433 2.348 4.918 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.075 1.239 2.534 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.830 0.185 3.602 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.821 1.819 3.168 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.867 2.385 1.811 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.367 -1.067 -0.156 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.013 0.677 -0.202 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.323 -0.337 1.087 1.00 0.00 H new ATOM 450 N CYS A 33 0.029 1.296 6.597 1.00 0.00 N ATOM 451 CA CYS A 33 0.866 0.687 7.625 1.00 0.00 C ATOM 452 C CYS A 33 0.821 -0.834 7.532 1.00 0.00 C ATOM 453 O CYS A 33 1.820 -1.511 7.775 1.00 0.00 O ATOM 454 CB CYS A 33 0.412 1.138 9.014 1.00 0.00 C ATOM 455 SG CYS A 33 1.234 2.634 9.610 1.00 0.00 S ATOM 0 H CYS A 33 -0.914 1.533 6.906 1.00 0.00 H new ATOM 0 HA CYS A 33 1.893 1.013 7.462 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.664 1.311 8.994 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.592 0.330 9.723 1.00 0.00 H new ATOM 0 HG CYS A 33 0.782 2.937 10.791 1.00 0.00 H new ATOM 461 N ASP A 34 -0.344 -1.367 7.176 1.00 0.00 N ATOM 462 CA ASP A 34 -0.519 -2.808 7.049 1.00 0.00 C ATOM 463 C ASP A 34 -1.351 -3.149 5.815 1.00 0.00 C ATOM 464 O ASP A 34 -2.547 -3.422 5.918 1.00 0.00 O ATOM 465 CB ASP A 34 -1.189 -3.374 8.303 1.00 0.00 C ATOM 466 CG ASP A 34 -0.189 -3.713 9.391 1.00 0.00 C ATOM 467 OD1 ASP A 34 0.242 -2.788 10.110 1.00 0.00 O ATOM 468 OD2 ASP A 34 0.163 -4.904 9.522 1.00 0.00 O ATOM 0 H ASP A 34 -1.181 -0.821 6.970 1.00 0.00 H new ATOM 0 HA ASP A 34 0.466 -3.260 6.937 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.907 -2.649 8.687 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.751 -4.270 8.038 1.00 0.00 H new ATOM 473 N PRO A 35 -0.725 -3.138 4.626 1.00 0.00 N ATOM 474 CA PRO A 35 -1.414 -3.446 3.368 1.00 0.00 C ATOM 475 C PRO A 35 -1.791 -4.920 3.260 1.00 0.00 C ATOM 476 O PRO A 35 -0.924 -5.786 3.147 1.00 0.00 O ATOM 477 CB PRO A 35 -0.383 -3.078 2.298 1.00 0.00 C ATOM 478 CG PRO A 35 0.934 -3.212 2.979 1.00 0.00 C ATOM 479 CD PRO A 35 0.700 -2.822 4.413 1.00 0.00 C ATOM 0 HA PRO A 35 -2.355 -2.904 3.276 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.452 -3.742 1.436 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.538 -2.063 1.932 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.308 -4.233 2.908 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.680 -2.567 2.516 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.342 -3.384 5.092 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.906 -1.765 4.581 1.00 0.00 H new ATOM 487 N VAL A 36 -3.091 -5.197 3.292 1.00 0.00 N ATOM 488 CA VAL A 36 -3.583 -6.565 3.195 1.00 0.00 C ATOM 489 C VAL A 36 -4.044 -6.883 1.776 1.00 0.00 C ATOM 490 O VAL A 36 -4.727 -6.081 1.140 1.00 0.00 O ATOM 491 CB VAL A 36 -4.752 -6.812 4.168 1.00 0.00 C ATOM 492 CG1 VAL A 36 -4.253 -6.842 5.605 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.827 -5.751 3.992 1.00 0.00 C ATOM 0 H VAL A 36 -3.822 -4.492 3.384 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.753 -7.219 3.461 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.192 -7.783 3.940 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.092 -7.017 6.278 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.522 -7.643 5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.786 -5.887 5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.644 -5.942 4.688 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.403 -4.767 4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.205 -5.782 2.970 1.00 0.00 H new ATOM 503 N VAL A 37 -3.663 -8.058 1.286 1.00 0.00 N ATOM 504 CA VAL A 37 -4.036 -8.482 -0.058 1.00 0.00 C ATOM 505 C VAL A 37 -5.402 -9.159 -0.063 1.00 0.00 C ATOM 506 O VAL A 37 -5.642 -10.100 0.692 1.00 0.00 O ATOM 507 CB VAL A 37 -2.995 -9.449 -0.652 1.00 0.00 C ATOM 508 CG1 VAL A 37 -3.291 -9.720 -2.118 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.589 -8.893 -0.478 1.00 0.00 C ATOM 0 H VAL A 37 -3.096 -8.733 1.799 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.077 -7.582 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.057 -10.394 -0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.544 -10.405 -2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.281 -10.166 -2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.260 -8.783 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.867 -9.590 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.512 -7.933 -0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.380 -8.757 0.583 1.00 0.00 H new ATOM 519 N LEU A 38 -6.294 -8.672 -0.921 1.00 0.00 N ATOM 520 CA LEU A 38 -7.637 -9.231 -1.027 1.00 0.00 C ATOM 521 C LEU A 38 -7.658 -10.413 -1.995 1.00 0.00 C ATOM 522 O LEU A 38 -7.442 -10.242 -3.194 1.00 0.00 O ATOM 523 CB LEU A 38 -8.621 -8.158 -1.495 1.00 0.00 C ATOM 524 CG LEU A 38 -8.673 -6.901 -0.623 1.00 0.00 C ATOM 525 CD1 LEU A 38 -9.469 -5.806 -1.314 1.00 0.00 C ATOM 526 CD2 LEU A 38 -9.271 -7.222 0.738 1.00 0.00 C ATOM 0 H LEU A 38 -6.111 -7.892 -1.552 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.937 -9.585 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.359 -7.866 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.619 -8.595 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.655 -6.541 -0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.496 -4.920 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.997 -5.558 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.486 -6.154 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.300 -6.317 1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.283 -7.606 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.659 -7.973 1.236 1.00 0.00 H new ATOM 538 N PRO A 39 -7.917 -11.634 -1.491 1.00 0.00 N ATOM 539 CA PRO A 39 -7.960 -12.839 -2.328 1.00 0.00 C ATOM 540 C PRO A 39 -9.150 -12.851 -3.285 1.00 0.00 C ATOM 541 O PRO A 39 -9.236 -13.705 -4.168 1.00 0.00 O ATOM 542 CB PRO A 39 -8.084 -13.976 -1.312 1.00 0.00 C ATOM 543 CG PRO A 39 -8.705 -13.348 -0.113 1.00 0.00 C ATOM 544 CD PRO A 39 -8.188 -11.938 -0.072 1.00 0.00 C ATOM 0 HA PRO A 39 -7.082 -12.913 -2.970 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.702 -14.787 -1.699 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.109 -14.403 -1.075 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.793 -13.363 -0.183 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.437 -13.889 0.794 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.921 -11.253 0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.287 -11.858 0.536 1.00 0.00 H new ATOM 552 N SER A 40 -10.069 -11.905 -3.107 1.00 0.00 N ATOM 553 CA SER A 40 -11.252 -11.821 -3.958 1.00 0.00 C ATOM 554 C SER A 40 -11.026 -10.859 -5.120 1.00 0.00 C ATOM 555 O SER A 40 -11.090 -11.253 -6.285 1.00 0.00 O ATOM 556 CB SER A 40 -12.464 -11.374 -3.138 1.00 0.00 C ATOM 557 OG SER A 40 -13.674 -11.776 -3.757 1.00 0.00 O ATOM 0 H SER A 40 -10.017 -11.188 -2.383 1.00 0.00 H new ATOM 0 HA SER A 40 -11.443 -12.813 -4.367 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.406 -11.799 -2.136 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.452 -10.290 -3.026 1.00 0.00 H new ATOM 0 HG SER A 40 -14.422 -11.624 -3.142 1.00 0.00 H new ATOM 563 N SER A 41 -10.771 -9.595 -4.798 1.00 0.00 N ATOM 564 CA SER A 41 -10.545 -8.577 -5.818 1.00 0.00 C ATOM 565 C SER A 41 -9.069 -8.487 -6.208 1.00 0.00 C ATOM 566 O SER A 41 -8.718 -7.805 -7.170 1.00 0.00 O ATOM 567 CB SER A 41 -11.031 -7.214 -5.320 1.00 0.00 C ATOM 568 OG SER A 41 -10.314 -6.803 -4.170 1.00 0.00 O ATOM 0 H SER A 41 -10.716 -9.251 -3.839 1.00 0.00 H new ATOM 0 HA SER A 41 -11.112 -8.866 -6.703 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.913 -6.472 -6.110 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.095 -7.267 -5.089 1.00 0.00 H new ATOM 0 HG SER A 41 -10.895 -6.257 -3.600 1.00 0.00 H new ATOM 574 N ARG A 42 -8.209 -9.175 -5.461 1.00 0.00 N ATOM 575 CA ARG A 42 -6.777 -9.161 -5.743 1.00 0.00 C ATOM 576 C ARG A 42 -6.217 -7.746 -5.637 1.00 0.00 C ATOM 577 O ARG A 42 -5.261 -7.393 -6.327 1.00 0.00 O ATOM 578 CB ARG A 42 -6.503 -9.728 -7.136 1.00 0.00 C ATOM 579 CG ARG A 42 -6.541 -11.248 -7.191 1.00 0.00 C ATOM 580 CD ARG A 42 -7.757 -11.752 -7.954 1.00 0.00 C ATOM 581 NE ARG A 42 -8.469 -12.797 -7.222 1.00 0.00 N ATOM 582 CZ ARG A 42 -8.018 -14.041 -7.080 1.00 0.00 C ATOM 583 NH1 ARG A 42 -6.858 -14.400 -7.616 1.00 0.00 N ATOM 584 NH2 ARG A 42 -8.729 -14.930 -6.398 1.00 0.00 N ATOM 0 H ARG A 42 -8.477 -9.746 -4.660 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.280 -9.786 -5.002 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.239 -9.329 -7.833 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.525 -9.384 -7.474 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.633 -11.618 -7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.555 -11.649 -6.177 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.434 -10.920 -8.148 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.442 -12.139 -8.923 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.364 -12.559 -6.795 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.307 -13.721 -8.140 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.518 -15.355 -7.503 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.621 -14.660 -5.983 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.384 -15.884 -6.289 1.00 0.00 H new ATOM 598 N VAL A 43 -6.819 -6.939 -4.768 1.00 0.00 N ATOM 599 CA VAL A 43 -6.381 -5.563 -4.570 1.00 0.00 C ATOM 600 C VAL A 43 -5.763 -5.377 -3.189 1.00 0.00 C ATOM 601 O VAL A 43 -6.210 -5.979 -2.213 1.00 0.00 O ATOM 602 CB VAL A 43 -7.547 -4.572 -4.735 1.00 0.00 C ATOM 603 CG1 VAL A 43 -7.037 -3.139 -4.725 1.00 0.00 C ATOM 604 CG2 VAL A 43 -8.318 -4.861 -6.014 1.00 0.00 C ATOM 0 H VAL A 43 -7.612 -7.216 -4.190 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.630 -5.358 -5.333 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.226 -4.697 -3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.876 -2.453 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.534 -2.938 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.334 -2.997 -5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.138 -4.150 -6.113 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.650 -4.766 -6.870 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.719 -5.874 -5.976 1.00 0.00 H new ATOM 614 N THR A 44 -4.732 -4.541 -3.114 1.00 0.00 N ATOM 615 CA THR A 44 -4.053 -4.278 -1.851 1.00 0.00 C ATOM 616 C THR A 44 -4.661 -3.068 -1.147 1.00 0.00 C ATOM 617 O THR A 44 -4.757 -1.985 -1.724 1.00 0.00 O ATOM 618 CB THR A 44 -2.561 -4.044 -2.090 1.00 0.00 C ATOM 619 OG1 THR A 44 -2.112 -4.777 -3.215 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.698 -4.437 -0.911 1.00 0.00 C ATOM 0 H THR A 44 -4.349 -4.035 -3.912 1.00 0.00 H new ATOM 0 HA THR A 44 -4.180 -5.151 -1.211 1.00 0.00 H new ATOM 0 HB THR A 44 -2.459 -2.971 -2.253 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.156 -4.613 -3.352 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.651 -4.246 -1.147 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.986 -3.852 -0.038 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.834 -5.497 -0.698 1.00 0.00 H new ATOM 628 N VAL A 45 -5.069 -3.262 0.104 1.00 0.00 N ATOM 629 CA VAL A 45 -5.666 -2.188 0.887 1.00 0.00 C ATOM 630 C VAL A 45 -5.230 -2.268 2.347 1.00 0.00 C ATOM 631 O VAL A 45 -4.836 -3.328 2.829 1.00 0.00 O ATOM 632 CB VAL A 45 -7.204 -2.229 0.819 1.00 0.00 C ATOM 633 CG1 VAL A 45 -7.683 -1.965 -0.600 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.726 -3.564 1.326 1.00 0.00 C ATOM 0 H VAL A 45 -4.997 -4.153 0.596 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.317 -1.250 0.456 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.599 -1.443 1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.772 -1.998 -0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.341 -0.981 -0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.279 -2.726 -1.268 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.815 -3.574 1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.324 -4.369 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.414 -3.707 2.361 1.00 0.00 H new ATOM 644 N ASP A 46 -5.303 -1.139 3.044 1.00 0.00 N ATOM 645 CA ASP A 46 -4.915 -1.083 4.448 1.00 0.00 C ATOM 646 C ASP A 46 -5.759 -2.039 5.286 1.00 0.00 C ATOM 647 O ASP A 46 -6.930 -2.271 4.989 1.00 0.00 O ATOM 648 CB ASP A 46 -5.054 0.346 4.980 1.00 0.00 C ATOM 649 CG ASP A 46 -3.737 0.908 5.479 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.850 0.108 5.843 1.00 0.00 O ATOM 651 OD2 ASP A 46 -3.593 2.149 5.506 1.00 0.00 O ATOM 0 H ASP A 46 -5.627 -0.251 2.660 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.872 -1.391 4.524 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.444 0.988 4.190 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.782 0.360 5.791 1.00 0.00 H new ATOM 656 N ARG A 47 -5.154 -2.589 6.333 1.00 0.00 N ATOM 657 CA ARG A 47 -5.848 -3.520 7.215 1.00 0.00 C ATOM 658 C ARG A 47 -7.074 -2.864 7.844 1.00 0.00 C ATOM 659 O ARG A 47 -8.053 -3.537 8.165 1.00 0.00 O ATOM 660 CB ARG A 47 -4.901 -4.014 8.311 1.00 0.00 C ATOM 661 CG ARG A 47 -5.223 -5.415 8.809 1.00 0.00 C ATOM 662 CD ARG A 47 -5.989 -5.382 10.122 1.00 0.00 C ATOM 663 NE ARG A 47 -5.282 -6.092 11.186 1.00 0.00 N ATOM 664 CZ ARG A 47 -4.300 -5.558 11.910 1.00 0.00 C ATOM 665 NH1 ARG A 47 -3.904 -4.311 11.690 1.00 0.00 N ATOM 666 NH2 ARG A 47 -3.713 -6.275 12.859 1.00 0.00 N ATOM 0 H ARG A 47 -4.184 -2.406 6.592 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.180 -4.370 6.618 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.880 -3.999 7.931 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.939 -3.321 9.152 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.811 -5.942 8.058 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.298 -5.976 8.941 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.150 -4.347 10.422 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.973 -5.829 9.979 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.557 -7.054 11.386 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.352 -3.754 10.962 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.151 -3.909 12.249 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.014 -7.234 13.033 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.961 -5.867 13.414 1.00 0.00 H new ATOM 680 N SER A 48 -7.011 -1.548 8.020 1.00 0.00 N ATOM 681 CA SER A 48 -8.115 -0.802 8.614 1.00 0.00 C ATOM 682 C SER A 48 -9.128 -0.387 7.551 1.00 0.00 C ATOM 683 O SER A 48 -10.333 -0.379 7.799 1.00 0.00 O ATOM 684 CB SER A 48 -7.588 0.435 9.344 1.00 0.00 C ATOM 685 OG SER A 48 -8.370 0.724 10.489 1.00 0.00 O ATOM 0 H SER A 48 -6.207 -0.976 7.760 1.00 0.00 H new ATOM 0 HA SER A 48 -8.615 -1.453 9.331 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.551 0.272 9.639 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.597 1.291 8.669 1.00 0.00 H new ATOM 0 HG SER A 48 -8.011 1.518 10.938 1.00 0.00 H new ATOM 691 N THR A 49 -8.631 -0.038 6.369 1.00 0.00 N ATOM 692 CA THR A 49 -9.494 0.381 5.270 1.00 0.00 C ATOM 693 C THR A 49 -10.492 -0.714 4.909 1.00 0.00 C ATOM 694 O THR A 49 -11.642 -0.434 4.570 1.00 0.00 O ATOM 695 CB THR A 49 -8.656 0.746 4.045 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.555 1.558 4.415 1.00 0.00 O ATOM 697 CG2 THR A 49 -9.439 1.490 2.984 1.00 0.00 C ATOM 0 H THR A 49 -7.635 -0.037 6.147 1.00 0.00 H new ATOM 0 HA THR A 49 -10.050 1.260 5.597 1.00 0.00 H new ATOM 0 HB THR A 49 -8.324 -0.205 3.628 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.232 2.049 3.630 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.785 1.719 2.142 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.268 0.870 2.642 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.829 2.418 3.403 1.00 0.00 H new ATOM 705 N ILE A 50 -10.045 -1.963 4.986 1.00 0.00 N ATOM 706 CA ILE A 50 -10.900 -3.100 4.667 1.00 0.00 C ATOM 707 C ILE A 50 -11.864 -3.397 5.812 1.00 0.00 C ATOM 708 O ILE A 50 -12.991 -3.840 5.588 1.00 0.00 O ATOM 709 CB ILE A 50 -10.066 -4.362 4.363 1.00 0.00 C ATOM 710 CG1 ILE A 50 -10.978 -5.513 3.932 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.240 -4.760 5.576 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.768 -5.220 2.674 1.00 0.00 C ATOM 0 H ILE A 50 -9.097 -2.213 5.266 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.470 -2.832 3.778 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.384 -4.137 3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.373 -6.405 3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.671 -5.740 4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.658 -5.652 5.343 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.565 -3.945 5.840 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.903 -4.968 6.415 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.392 -6.079 2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.400 -4.347 2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.081 -5.023 1.851 1.00 0.00 H new ATOM 724 N ALA A 51 -11.414 -3.150 7.038 1.00 0.00 N ATOM 725 CA ALA A 51 -12.237 -3.391 8.216 1.00 0.00 C ATOM 726 C ALA A 51 -13.529 -2.582 8.158 1.00 0.00 C ATOM 727 O ALA A 51 -14.602 -3.084 8.496 1.00 0.00 O ATOM 728 CB ALA A 51 -11.458 -3.056 9.479 1.00 0.00 C ATOM 0 H ALA A 51 -10.484 -2.783 7.241 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.502 -4.448 8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.084 -3.240 10.352 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.567 -3.681 9.533 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.165 -2.006 9.458 1.00 0.00 H new ATOM 734 N ARG A 52 -13.418 -1.330 7.729 1.00 0.00 N ATOM 735 CA ARG A 52 -14.578 -0.452 7.626 1.00 0.00 C ATOM 736 C ARG A 52 -15.606 -1.022 6.654 1.00 0.00 C ATOM 737 O ARG A 52 -16.812 -0.912 6.874 1.00 0.00 O ATOM 738 CB ARG A 52 -14.147 0.945 7.173 1.00 0.00 C ATOM 739 CG ARG A 52 -14.803 2.068 7.959 1.00 0.00 C ATOM 740 CD ARG A 52 -14.224 2.178 9.361 1.00 0.00 C ATOM 741 NE ARG A 52 -13.010 2.989 9.389 1.00 0.00 N ATOM 742 CZ ARG A 52 -12.118 2.956 10.377 1.00 0.00 C ATOM 743 NH1 ARG A 52 -12.303 2.156 11.420 1.00 0.00 N ATOM 744 NH2 ARG A 52 -11.042 3.727 10.324 1.00 0.00 N ATOM 0 H ARG A 52 -12.537 -0.900 7.447 1.00 0.00 H new ATOM 0 HA ARG A 52 -15.038 -0.380 8.611 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.064 1.031 7.267 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.385 1.065 6.116 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.664 3.012 7.432 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.877 1.892 8.020 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.968 2.615 10.027 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.003 1.181 9.741 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.835 3.618 8.605 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.131 1.563 11.467 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.617 2.134 12.174 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.897 4.346 9.526 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.359 3.702 11.081 1.00 0.00 H new ATOM 758 N HIS A 53 -15.119 -1.633 5.579 1.00 0.00 N ATOM 759 CA HIS A 53 -15.995 -2.224 4.572 1.00 0.00 C ATOM 760 C HIS A 53 -16.544 -3.566 5.046 1.00 0.00 C ATOM 761 O HIS A 53 -17.604 -4.005 4.600 1.00 0.00 O ATOM 762 CB HIS A 53 -15.241 -2.405 3.254 1.00 0.00 C ATOM 763 CG HIS A 53 -16.135 -2.701 2.090 1.00 0.00 C ATOM 764 ND1 HIS A 53 -17.195 -1.907 1.715 1.00 0.00 N ATOM 765 CD2 HIS A 53 -16.109 -3.733 1.208 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.769 -2.469 0.641 1.00 0.00 C ATOM 767 NE2 HIS A 53 -17.147 -3.579 0.294 1.00 0.00 N ATOM 0 H HIS A 53 -14.123 -1.732 5.382 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.833 -1.546 4.413 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.671 -1.500 3.043 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.521 -3.216 3.365 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -17.491 -1.045 2.172 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.396 -4.544 1.215 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.629 -2.065 0.127 1.00 0.00 H new ATOM 775 N LEU A 54 -15.815 -4.216 5.949 1.00 0.00 N ATOM 776 CA LEU A 54 -16.232 -5.509 6.479 1.00 0.00 C ATOM 777 C LEU A 54 -16.959 -5.346 7.811 1.00 0.00 C ATOM 778 O LEU A 54 -16.904 -6.226 8.670 1.00 0.00 O ATOM 779 CB LEU A 54 -15.019 -6.424 6.656 1.00 0.00 C ATOM 780 CG LEU A 54 -14.239 -6.722 5.374 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.051 -7.623 5.669 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.149 -7.358 4.334 1.00 0.00 C ATOM 0 H LEU A 54 -14.934 -3.869 6.328 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.921 -5.961 5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.341 -5.968 7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.355 -7.368 7.086 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.863 -5.781 4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.508 -7.824 4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.388 -7.130 6.379 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.404 -8.563 6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.578 -7.564 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.555 -8.290 4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.967 -6.676 4.101 1.00 0.00 H new ATOM 794 N LEU A 55 -17.639 -4.217 7.976 1.00 0.00 N ATOM 795 CA LEU A 55 -18.377 -3.942 9.203 1.00 0.00 C ATOM 796 C LEU A 55 -19.738 -4.631 9.184 1.00 0.00 C ATOM 797 O LEU A 55 -19.993 -5.545 9.967 1.00 0.00 O ATOM 798 CB LEU A 55 -18.559 -2.434 9.389 1.00 0.00 C ATOM 799 CG LEU A 55 -17.277 -1.662 9.705 1.00 0.00 C ATOM 800 CD1 LEU A 55 -17.557 -0.169 9.775 1.00 0.00 C ATOM 801 CD2 LEU A 55 -16.668 -2.154 11.009 1.00 0.00 C ATOM 0 H LEU A 55 -17.694 -3.478 7.276 1.00 0.00 H new ATOM 0 HA LEU A 55 -17.800 -4.336 10.040 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.999 -2.022 8.481 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.274 -2.266 10.194 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.561 -1.839 8.903 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -16.634 0.364 10.001 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.949 0.173 8.817 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -18.290 0.027 10.558 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.757 -1.594 11.219 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -17.380 -2.007 11.821 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.431 -3.214 10.923 1.00 0.00 H new ATOM 813 N SER A 56 -20.606 -4.187 8.281 1.00 0.00 N ATOM 814 CA SER A 56 -21.940 -4.762 8.158 1.00 0.00 C ATOM 815 C SER A 56 -21.996 -5.763 7.008 1.00 0.00 C ATOM 816 O SER A 56 -22.682 -6.782 7.091 1.00 0.00 O ATOM 817 CB SER A 56 -22.977 -3.659 7.939 1.00 0.00 C ATOM 818 OG SER A 56 -23.195 -2.921 9.128 1.00 0.00 O ATOM 0 H SER A 56 -20.410 -3.432 7.624 1.00 0.00 H new ATOM 0 HA SER A 56 -22.169 -5.286 9.086 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.639 -2.989 7.148 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.916 -4.100 7.603 1.00 0.00 H new ATOM 0 HG SER A 56 -23.860 -2.221 8.961 1.00 0.00 H new ATOM 824 N ASP A 57 -21.266 -5.466 5.937 1.00 0.00 N ATOM 825 CA ASP A 57 -21.229 -6.340 4.770 1.00 0.00 C ATOM 826 C ASP A 57 -19.827 -6.898 4.554 1.00 0.00 C ATOM 827 O ASP A 57 -19.005 -6.291 3.868 1.00 0.00 O ATOM 828 CB ASP A 57 -21.685 -5.579 3.523 1.00 0.00 C ATOM 829 CG ASP A 57 -23.047 -4.936 3.705 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.111 -3.842 4.304 1.00 0.00 O ATOM 831 OD2 ASP A 57 -24.048 -5.525 3.247 1.00 0.00 O ATOM 0 H ASP A 57 -20.692 -4.627 5.854 1.00 0.00 H new ATOM 0 HA ASP A 57 -21.909 -7.173 4.948 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.952 -4.809 3.282 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.719 -6.263 2.675 1.00 0.00 H new ATOM 836 N GLN A 58 -19.559 -8.057 5.145 1.00 0.00 N ATOM 837 CA GLN A 58 -18.255 -8.697 5.019 1.00 0.00 C ATOM 838 C GLN A 58 -18.002 -9.140 3.581 1.00 0.00 C ATOM 839 O GLN A 58 -18.124 -10.320 3.254 1.00 0.00 O ATOM 840 CB GLN A 58 -18.160 -9.899 5.960 1.00 0.00 C ATOM 841 CG GLN A 58 -17.634 -9.548 7.343 1.00 0.00 C ATOM 842 CD GLN A 58 -18.480 -10.135 8.457 1.00 0.00 C ATOM 843 OE1 GLN A 58 -18.319 -11.297 8.827 1.00 0.00 O ATOM 844 NE2 GLN A 58 -19.388 -9.330 8.997 1.00 0.00 N ATOM 0 H GLN A 58 -20.228 -8.573 5.717 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.493 -7.968 5.294 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -19.147 -10.351 6.059 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.509 -10.650 5.512 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -16.610 -9.910 7.441 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -17.601 -8.464 7.450 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -19.487 -8.373 8.658 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -19.986 -9.669 9.750 1.00 0.00 H new ATOM 853 N THR A 59 -17.649 -8.185 2.727 1.00 0.00 N ATOM 854 CA THR A 59 -17.379 -8.474 1.324 1.00 0.00 C ATOM 855 C THR A 59 -16.278 -7.566 0.785 1.00 0.00 C ATOM 856 O THR A 59 -15.723 -6.746 1.516 1.00 0.00 O ATOM 857 CB THR A 59 -18.650 -8.305 0.492 1.00 0.00 C ATOM 858 OG1 THR A 59 -19.406 -7.199 0.951 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.551 -9.522 0.521 1.00 0.00 C ATOM 0 H THR A 59 -17.543 -7.203 2.983 1.00 0.00 H new ATOM 0 HA THR A 59 -17.042 -9.508 1.250 1.00 0.00 H new ATOM 0 HB THR A 59 -18.307 -8.152 -0.531 1.00 0.00 H new ATOM 0 HG1 THR A 59 -20.215 -7.106 0.405 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.435 -9.335 -0.089 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.012 -10.383 0.126 1.00 0.00 H new ATOM 0 HG23 THR A 59 -19.856 -9.725 1.548 1.00 0.00 H new ATOM 867 N ASP A 60 -15.969 -7.716 -0.499 1.00 0.00 N ATOM 868 CA ASP A 60 -14.936 -6.906 -1.135 1.00 0.00 C ATOM 869 C ASP A 60 -15.536 -5.640 -1.745 1.00 0.00 C ATOM 870 O ASP A 60 -16.606 -5.681 -2.349 1.00 0.00 O ATOM 871 CB ASP A 60 -14.218 -7.717 -2.217 1.00 0.00 C ATOM 872 CG ASP A 60 -12.782 -7.274 -2.413 1.00 0.00 C ATOM 873 OD1 ASP A 60 -12.562 -6.272 -3.127 1.00 0.00 O ATOM 874 OD2 ASP A 60 -11.877 -7.928 -1.854 1.00 0.00 O ATOM 0 H ASP A 60 -16.418 -8.390 -1.119 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.216 -6.614 -0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.236 -8.773 -1.948 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.758 -7.619 -3.159 1.00 0.00 H new ATOM 879 N PRO A 61 -14.851 -4.492 -1.593 1.00 0.00 N ATOM 880 CA PRO A 61 -15.328 -3.215 -2.132 1.00 0.00 C ATOM 881 C PRO A 61 -15.195 -3.130 -3.651 1.00 0.00 C ATOM 882 O PRO A 61 -15.763 -2.238 -4.282 1.00 0.00 O ATOM 883 CB PRO A 61 -14.418 -2.188 -1.460 1.00 0.00 C ATOM 884 CG PRO A 61 -13.157 -2.929 -1.180 1.00 0.00 C ATOM 885 CD PRO A 61 -13.564 -4.346 -0.886 1.00 0.00 C ATOM 0 HA PRO A 61 -16.389 -3.064 -1.935 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.239 -1.332 -2.110 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.864 -1.804 -0.543 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.482 -2.887 -2.035 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.628 -2.492 -0.333 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.824 -5.059 -1.249 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.673 -4.518 0.185 1.00 0.00 H new ATOM 893 N PHE A 62 -14.441 -4.058 -4.235 1.00 0.00 N ATOM 894 CA PHE A 62 -14.237 -4.075 -5.679 1.00 0.00 C ATOM 895 C PHE A 62 -14.921 -5.282 -6.317 1.00 0.00 C ATOM 896 O PHE A 62 -15.452 -5.192 -7.423 1.00 0.00 O ATOM 897 CB PHE A 62 -12.743 -4.095 -6.003 1.00 0.00 C ATOM 898 CG PHE A 62 -11.951 -3.061 -5.254 1.00 0.00 C ATOM 899 CD1 PHE A 62 -11.944 -1.740 -5.671 1.00 0.00 C ATOM 900 CD2 PHE A 62 -11.216 -3.410 -4.133 1.00 0.00 C ATOM 901 CE1 PHE A 62 -11.217 -0.786 -4.984 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.486 -2.462 -3.443 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.487 -1.147 -3.869 1.00 0.00 C ATOM 0 H PHE A 62 -13.963 -4.805 -3.732 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.682 -3.169 -6.091 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.343 -5.083 -5.774 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.610 -3.938 -7.073 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.513 -1.452 -6.543 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.214 -4.436 -3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.220 0.241 -5.319 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.915 -2.748 -2.572 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.918 -0.403 -3.331 1.00 0.00 H new ATOM 913 N ASN A 63 -14.900 -6.410 -5.615 1.00 0.00 N ATOM 914 CA ASN A 63 -15.514 -7.634 -6.120 1.00 0.00 C ATOM 915 C ASN A 63 -16.927 -7.808 -5.568 1.00 0.00 C ATOM 916 O ASN A 63 -17.788 -8.402 -6.218 1.00 0.00 O ATOM 917 CB ASN A 63 -14.655 -8.847 -5.756 1.00 0.00 C ATOM 918 CG ASN A 63 -14.269 -9.667 -6.971 1.00 0.00 C ATOM 919 OD1 ASN A 63 -14.020 -9.124 -8.048 1.00 0.00 O ATOM 920 ND2 ASN A 63 -14.218 -10.984 -6.805 1.00 0.00 N ATOM 0 H ASN A 63 -14.466 -6.503 -4.697 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.579 -7.556 -7.205 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.752 -8.510 -5.247 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -15.200 -9.478 -5.054 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.965 -11.587 -7.588 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -14.432 -11.392 -5.895 1.00 0.00 H new ATOM 927 N ARG A 64 -17.159 -7.290 -4.366 1.00 0.00 N ATOM 928 CA ARG A 64 -18.468 -7.394 -3.730 1.00 0.00 C ATOM 929 C ARG A 64 -18.825 -8.852 -3.459 1.00 0.00 C ATOM 930 O ARG A 64 -19.997 -9.230 -3.483 1.00 0.00 O ATOM 931 CB ARG A 64 -19.540 -6.744 -4.609 1.00 0.00 C ATOM 932 CG ARG A 64 -20.239 -5.568 -3.946 1.00 0.00 C ATOM 933 CD ARG A 64 -21.465 -6.017 -3.167 1.00 0.00 C ATOM 934 NE ARG A 64 -22.472 -4.961 -3.075 1.00 0.00 N ATOM 935 CZ ARG A 64 -23.457 -4.953 -2.181 1.00 0.00 C ATOM 936 NH1 ARG A 64 -23.573 -5.939 -1.300 1.00 0.00 N ATOM 937 NH2 ARG A 64 -24.330 -3.954 -2.166 1.00 0.00 N ATOM 0 H ARG A 64 -16.459 -6.795 -3.813 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.426 -6.867 -2.777 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.081 -6.406 -5.538 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -20.284 -7.495 -4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -19.545 -5.062 -3.275 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.534 -4.843 -4.705 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -21.900 -6.892 -3.649 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -21.166 -6.321 -2.164 1.00 0.00 H new ATOM 0 HE ARG A 64 -22.416 -4.185 -3.735 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -22.904 -6.709 -1.306 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -24.331 -5.926 -0.617 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -24.246 -3.193 -2.840 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -25.086 -3.947 -1.481 1.00 0.00 H new ATOM 951 N SER A 65 -17.807 -9.667 -3.201 1.00 0.00 N ATOM 952 CA SER A 65 -18.013 -11.084 -2.926 1.00 0.00 C ATOM 953 C SER A 65 -17.679 -11.409 -1.471 1.00 0.00 C ATOM 954 O SER A 65 -17.123 -10.577 -0.753 1.00 0.00 O ATOM 955 CB SER A 65 -17.153 -11.937 -3.862 1.00 0.00 C ATOM 956 OG SER A 65 -17.915 -12.419 -4.956 1.00 0.00 O ATOM 0 H SER A 65 -16.831 -9.370 -3.177 1.00 0.00 H new ATOM 0 HA SER A 65 -19.064 -11.314 -3.100 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.315 -11.346 -4.231 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.732 -12.777 -3.310 1.00 0.00 H new ATOM 0 HG SER A 65 -17.343 -12.959 -5.540 1.00 0.00 H new ATOM 962 N PRO A 66 -18.015 -12.628 -1.016 1.00 0.00 N ATOM 963 CA PRO A 66 -17.747 -13.059 0.361 1.00 0.00 C ATOM 964 C PRO A 66 -16.292 -12.843 0.764 1.00 0.00 C ATOM 965 O PRO A 66 -15.388 -13.480 0.224 1.00 0.00 O ATOM 966 CB PRO A 66 -18.079 -14.552 0.338 1.00 0.00 C ATOM 967 CG PRO A 66 -19.063 -14.703 -0.771 1.00 0.00 C ATOM 968 CD PRO A 66 -18.680 -13.682 -1.806 1.00 0.00 C ATOM 0 HA PRO A 66 -18.330 -12.490 1.086 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.187 -15.153 0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.500 -14.879 1.289 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -19.032 -15.710 -1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -20.080 -14.536 -0.416 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.012 -14.103 -2.558 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.553 -13.298 -2.334 1.00 0.00 H new ATOM 976 N LEU A 67 -16.075 -11.941 1.715 1.00 0.00 N ATOM 977 CA LEU A 67 -14.729 -11.641 2.192 1.00 0.00 C ATOM 978 C LEU A 67 -14.744 -11.296 3.678 1.00 0.00 C ATOM 979 O LEU A 67 -15.701 -10.708 4.178 1.00 0.00 O ATOM 980 CB LEU A 67 -14.127 -10.484 1.393 1.00 0.00 C ATOM 981 CG LEU A 67 -12.694 -10.109 1.775 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.699 -11.015 1.068 1.00 0.00 C ATOM 983 CD2 LEU A 67 -12.421 -8.650 1.443 1.00 0.00 C ATOM 0 H LEU A 67 -16.813 -11.405 2.171 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.113 -12.529 2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.148 -10.744 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.762 -9.607 1.519 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.576 -10.245 2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.685 -10.733 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.882 -12.050 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.816 -10.912 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.397 -8.399 1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.557 -8.489 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.113 -8.015 1.996 1.00 0.00 H new ATOM 995 N THR A 68 -13.675 -11.665 4.376 1.00 0.00 N ATOM 996 CA THR A 68 -13.565 -11.394 5.805 1.00 0.00 C ATOM 997 C THR A 68 -12.129 -11.050 6.185 1.00 0.00 C ATOM 998 O THR A 68 -11.246 -10.996 5.329 1.00 0.00 O ATOM 999 CB THR A 68 -14.044 -12.602 6.613 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.638 -13.811 5.995 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.547 -12.653 6.780 1.00 0.00 C ATOM 0 H THR A 68 -12.873 -12.152 3.976 1.00 0.00 H new ATOM 0 HA THR A 68 -14.198 -10.537 6.036 1.00 0.00 H new ATOM 0 HB THR A 68 -13.590 -12.490 7.598 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.842 -14.159 6.448 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.819 -13.534 7.362 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.886 -11.756 7.299 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.020 -12.706 5.800 1.00 0.00 H new ATOM 1009 N MET A 69 -11.902 -10.820 7.474 1.00 0.00 N ATOM 1010 CA MET A 69 -10.573 -10.481 7.967 1.00 0.00 C ATOM 1011 C MET A 69 -9.649 -11.695 7.919 1.00 0.00 C ATOM 1012 O MET A 69 -8.441 -11.562 7.729 1.00 0.00 O ATOM 1013 CB MET A 69 -10.657 -9.946 9.399 1.00 0.00 C ATOM 1014 CG MET A 69 -9.714 -8.784 9.671 1.00 0.00 C ATOM 1015 SD MET A 69 -10.584 -7.229 9.953 1.00 0.00 S ATOM 1016 CE MET A 69 -10.167 -6.333 8.459 1.00 0.00 C ATOM 0 H MET A 69 -12.622 -10.862 8.196 1.00 0.00 H new ATOM 0 HA MET A 69 -10.160 -9.706 7.321 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.680 -9.628 9.600 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.433 -10.755 10.094 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.101 -9.015 10.542 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.035 -8.667 8.826 1.00 0.00 H new ATOM 0 HE1 MET A 69 -9.574 -5.455 8.715 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.591 -6.979 7.796 1.00 0.00 H new ATOM 0 HE3 MET A 69 -11.082 -6.019 7.956 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.228 -12.879 8.092 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.458 -14.118 8.067 1.00 0.00 C ATOM 1028 C ASP A 70 -9.043 -14.472 6.643 1.00 0.00 C ATOM 1029 O ASP A 70 -7.966 -15.023 6.419 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.274 -15.261 8.674 1.00 0.00 C ATOM 1031 CG ASP A 70 -9.441 -16.152 9.575 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -8.644 -15.612 10.370 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -9.587 -17.389 9.485 1.00 0.00 O ATOM 0 H ASP A 70 -11.227 -13.007 8.251 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.556 -13.969 8.661 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.105 -14.847 9.245 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.705 -15.861 7.873 1.00 0.00 H new ATOM 1038 N GLN A 71 -9.906 -14.154 5.684 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.630 -14.440 4.281 1.00 0.00 C ATOM 1040 C GLN A 71 -8.446 -13.621 3.780 1.00 0.00 C ATOM 1041 O GLN A 71 -7.531 -14.154 3.153 1.00 0.00 O ATOM 1042 CB GLN A 71 -10.865 -14.149 3.427 1.00 0.00 C ATOM 1043 CG GLN A 71 -11.972 -15.178 3.586 1.00 0.00 C ATOM 1044 CD GLN A 71 -13.043 -15.051 2.521 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -14.222 -14.867 2.828 1.00 0.00 O ATOM 1046 NE2 GLN A 71 -12.638 -15.148 1.260 1.00 0.00 N ATOM 0 H GLN A 71 -10.803 -13.698 5.853 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.378 -15.497 4.195 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.254 -13.165 3.690 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.569 -14.105 2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.541 -16.179 3.546 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.428 -15.067 4.570 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.651 -15.301 1.052 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.314 -15.070 0.500 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.470 -12.322 4.060 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.398 -11.430 3.637 1.00 0.00 C ATOM 1057 C ILE A 72 -6.079 -11.799 4.309 1.00 0.00 C ATOM 1058 O ILE A 72 -6.067 -12.387 5.390 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.730 -9.959 3.957 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -7.980 -9.785 5.455 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -8.938 -9.503 3.155 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -7.548 -8.436 5.987 1.00 0.00 C ATOM 0 H ILE A 72 -9.220 -11.864 4.578 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.299 -11.545 2.558 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.878 -9.339 3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.042 -9.923 5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.449 -10.567 5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.160 -8.462 3.392 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.724 -9.595 2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.798 -10.124 3.407 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.755 -8.383 7.056 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.479 -8.303 5.817 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.098 -7.649 5.471 1.00 0.00 H new ATOM 1074 N ARG A 73 -4.972 -11.450 3.661 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.649 -11.746 4.197 1.00 0.00 C ATOM 1076 C ARG A 73 -2.736 -10.526 4.097 1.00 0.00 C ATOM 1077 O ARG A 73 -2.872 -9.712 3.184 1.00 0.00 O ATOM 1078 CB ARG A 73 -3.025 -12.926 3.450 1.00 0.00 C ATOM 1079 CG ARG A 73 -3.893 -14.175 3.456 1.00 0.00 C ATOM 1080 CD ARG A 73 -4.110 -14.713 2.050 1.00 0.00 C ATOM 1081 NE ARG A 73 -3.046 -15.626 1.642 1.00 0.00 N ATOM 1082 CZ ARG A 73 -2.811 -15.975 0.379 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -3.564 -15.490 -0.601 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -1.823 -16.811 0.095 1.00 0.00 N ATOM 0 H ARG A 73 -4.965 -10.962 2.765 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.761 -12.009 5.249 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.833 -12.632 2.418 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.060 -13.161 3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.423 -14.942 4.071 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.857 -13.947 3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.068 -15.230 2.004 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.163 -13.881 1.348 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.447 -16.020 2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.327 -14.847 -0.388 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.380 -15.760 -1.567 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.242 -17.187 0.844 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.643 -17.078 -0.873 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.789 -10.383 5.041 1.00 0.00 N ATOM 1099 CA PRO A 74 -0.852 -9.254 5.054 1.00 0.00 C ATOM 1100 C PRO A 74 0.168 -9.336 3.924 1.00 0.00 C ATOM 1101 O PRO A 74 0.820 -10.363 3.736 1.00 0.00 O ATOM 1102 CB PRO A 74 -0.159 -9.384 6.412 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.253 -10.833 6.747 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.557 -11.308 6.167 1.00 0.00 C ATOM 0 HA PRO A 74 -1.360 -8.300 4.910 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.879 -9.056 6.360 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.650 -8.770 7.167 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.586 -11.386 6.326 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.227 -10.987 7.826 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.493 -12.343 5.830 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.363 -11.260 6.899 1.00 0.00 H new ATOM 1112 N ASN A 75 0.301 -8.246 3.175 1.00 0.00 N ATOM 1113 CA ASN A 75 1.242 -8.193 2.063 1.00 0.00 C ATOM 1114 C ASN A 75 2.667 -7.981 2.566 1.00 0.00 C ATOM 1115 O ASN A 75 3.136 -6.848 2.669 1.00 0.00 O ATOM 1116 CB ASN A 75 0.859 -7.073 1.094 1.00 0.00 C ATOM 1117 CG ASN A 75 1.396 -7.308 -0.303 1.00 0.00 C ATOM 1118 OD1 ASN A 75 2.115 -8.276 -0.550 1.00 0.00 O ATOM 1119 ND2 ASN A 75 1.049 -6.420 -1.227 1.00 0.00 N ATOM 0 H ASN A 75 -0.231 -7.388 3.318 1.00 0.00 H new ATOM 0 HA ASN A 75 1.199 -9.147 1.538 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.227 -6.987 1.053 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.240 -6.124 1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.381 -6.526 -2.186 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.451 -5.632 -0.978 1.00 0.00 H new ATOM 1126 N THR A 76 3.349 -9.079 2.877 1.00 0.00 N ATOM 1127 CA THR A 76 4.719 -9.012 3.370 1.00 0.00 C ATOM 1128 C THR A 76 5.637 -8.357 2.342 1.00 0.00 C ATOM 1129 O THR A 76 6.525 -7.581 2.695 1.00 0.00 O ATOM 1130 CB THR A 76 5.230 -10.414 3.707 1.00 0.00 C ATOM 1131 OG1 THR A 76 4.152 -11.283 4.006 1.00 0.00 O ATOM 1132 CG2 THR A 76 6.179 -10.438 4.886 1.00 0.00 C ATOM 0 H THR A 76 2.975 -10.025 2.796 1.00 0.00 H new ATOM 0 HA THR A 76 4.724 -8.403 4.274 1.00 0.00 H new ATOM 0 HB THR A 76 5.770 -10.745 2.820 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.499 -12.175 4.217 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.503 -11.462 5.071 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.047 -9.816 4.667 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.671 -10.053 5.770 1.00 0.00 H new ATOM 1140 N GLU A 77 5.415 -8.674 1.071 1.00 0.00 N ATOM 1141 CA GLU A 77 6.222 -8.115 -0.007 1.00 0.00 C ATOM 1142 C GLU A 77 6.115 -6.593 -0.035 1.00 0.00 C ATOM 1143 O GLU A 77 7.059 -5.902 -0.418 1.00 0.00 O ATOM 1144 CB GLU A 77 5.781 -8.693 -1.355 1.00 0.00 C ATOM 1145 CG GLU A 77 6.586 -9.909 -1.786 1.00 0.00 C ATOM 1146 CD GLU A 77 6.007 -10.583 -3.015 1.00 0.00 C ATOM 1147 OE1 GLU A 77 4.930 -11.205 -2.900 1.00 0.00 O ATOM 1148 OE2 GLU A 77 6.632 -10.489 -4.092 1.00 0.00 O ATOM 0 H GLU A 77 4.684 -9.314 0.762 1.00 0.00 H new ATOM 0 HA GLU A 77 7.262 -8.385 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.727 -8.967 -1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.868 -7.920 -2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.613 -9.607 -1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.623 -10.626 -0.966 1.00 0.00 H new ATOM 1155 N LEU A 78 4.961 -6.079 0.377 1.00 0.00 N ATOM 1156 CA LEU A 78 4.733 -4.638 0.399 1.00 0.00 C ATOM 1157 C LEU A 78 5.140 -4.044 1.745 1.00 0.00 C ATOM 1158 O LEU A 78 5.794 -3.004 1.802 1.00 0.00 O ATOM 1159 CB LEU A 78 3.261 -4.329 0.117 1.00 0.00 C ATOM 1160 CG LEU A 78 2.942 -2.851 -0.114 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.765 -2.301 -1.268 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.456 -2.662 -0.379 1.00 0.00 C ATOM 0 H LEU A 78 4.170 -6.637 0.700 1.00 0.00 H new ATOM 0 HA LEU A 78 5.348 -4.186 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.949 -4.894 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.663 -4.687 0.955 1.00 0.00 H new ATOM 0 HG LEU A 78 3.204 -2.297 0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.524 -1.248 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.826 -2.402 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.536 -2.858 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.247 -1.605 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.169 -3.229 -1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.885 -3.017 0.479 1.00 0.00 H new ATOM 1174 N LYS A 79 4.747 -4.713 2.824 1.00 0.00 N ATOM 1175 CA LYS A 79 5.070 -4.253 4.170 1.00 0.00 C ATOM 1176 C LYS A 79 6.578 -4.129 4.358 1.00 0.00 C ATOM 1177 O LYS A 79 7.052 -3.285 5.118 1.00 0.00 O ATOM 1178 CB LYS A 79 4.491 -5.212 5.212 1.00 0.00 C ATOM 1179 CG LYS A 79 4.207 -4.553 6.553 1.00 0.00 C ATOM 1180 CD LYS A 79 5.140 -5.068 7.638 1.00 0.00 C ATOM 1181 CE LYS A 79 5.491 -3.974 8.634 1.00 0.00 C ATOM 1182 NZ LYS A 79 6.135 -4.525 9.859 1.00 0.00 N ATOM 0 H LYS A 79 4.204 -5.576 2.793 1.00 0.00 H new ATOM 0 HA LYS A 79 4.625 -3.267 4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.567 -5.642 4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.188 -6.037 5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.318 -3.473 6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.173 -4.743 6.841 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.668 -5.900 8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.052 -5.454 7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.162 -3.256 8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.587 -3.432 8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.359 -3.748 10.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.485 -5.192 10.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.011 -5.021 9.598 1.00 0.00 H new ATOM 1196 N GLU A 80 7.329 -4.977 3.661 1.00 0.00 N ATOM 1197 CA GLU A 80 8.784 -4.961 3.752 1.00 0.00 C ATOM 1198 C GLU A 80 9.364 -3.763 3.006 1.00 0.00 C ATOM 1199 O GLU A 80 10.412 -3.237 3.377 1.00 0.00 O ATOM 1200 CB GLU A 80 9.365 -6.258 3.188 1.00 0.00 C ATOM 1201 CG GLU A 80 9.096 -7.475 4.060 1.00 0.00 C ATOM 1202 CD GLU A 80 10.370 -8.137 4.550 1.00 0.00 C ATOM 1203 OE1 GLU A 80 11.395 -7.434 4.668 1.00 0.00 O ATOM 1204 OE2 GLU A 80 10.341 -9.357 4.815 1.00 0.00 O ATOM 0 H GLU A 80 6.954 -5.683 3.028 1.00 0.00 H new ATOM 0 HA GLU A 80 9.056 -4.876 4.804 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.947 -6.432 2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.442 -6.141 3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.493 -7.176 4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.509 -8.199 3.495 1.00 0.00 H new ATOM 1211 N LYS A 81 8.674 -3.338 1.952 1.00 0.00 N ATOM 1212 CA LYS A 81 9.121 -2.203 1.153 1.00 0.00 C ATOM 1213 C LYS A 81 8.922 -0.893 1.909 1.00 0.00 C ATOM 1214 O LYS A 81 9.697 0.050 1.748 1.00 0.00 O ATOM 1215 CB LYS A 81 8.365 -2.158 -0.176 1.00 0.00 C ATOM 1216 CG LYS A 81 8.996 -3.012 -1.264 1.00 0.00 C ATOM 1217 CD LYS A 81 8.210 -2.930 -2.563 1.00 0.00 C ATOM 1218 CE LYS A 81 8.908 -3.683 -3.684 1.00 0.00 C ATOM 1219 NZ LYS A 81 10.283 -3.167 -3.929 1.00 0.00 N ATOM 0 H LYS A 81 7.804 -3.763 1.632 1.00 0.00 H new ATOM 0 HA LYS A 81 10.185 -2.328 0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.340 -2.491 -0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.314 -1.125 -0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.021 -2.684 -1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.045 -4.049 -0.932 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.212 -3.342 -2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.084 -1.886 -2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.957 -4.743 -3.433 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.321 -3.599 -4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.615 -3.491 -4.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.272 -2.127 -3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.924 -3.522 -3.191 1.00 0.00 H new ATOM 1233 N ILE A 82 7.881 -0.842 2.733 1.00 0.00 N ATOM 1234 CA ILE A 82 7.583 0.353 3.513 1.00 0.00 C ATOM 1235 C ILE A 82 8.628 0.570 4.602 1.00 0.00 C ATOM 1236 O ILE A 82 9.092 1.690 4.816 1.00 0.00 O ATOM 1237 CB ILE A 82 6.188 0.268 4.162 1.00 0.00 C ATOM 1238 CG1 ILE A 82 5.130 -0.075 3.111 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.843 1.578 4.857 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.789 -0.450 3.702 1.00 0.00 C ATOM 0 H ILE A 82 7.230 -1.614 2.878 1.00 0.00 H new ATOM 0 HA ILE A 82 7.601 1.196 2.822 1.00 0.00 H new ATOM 0 HB ILE A 82 6.203 -0.525 4.909 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.999 0.780 2.447 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.492 -0.901 2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.855 1.500 5.310 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.582 1.785 5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.845 2.388 4.128 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.089 -0.680 2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.906 -1.324 4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.405 0.383 4.290 1.00 0.00 H new ATOM 1252 N GLN A 83 8.995 -0.507 5.288 1.00 0.00 N ATOM 1253 CA GLN A 83 9.986 -0.434 6.354 1.00 0.00 C ATOM 1254 C GLN A 83 11.364 -0.096 5.793 1.00 0.00 C ATOM 1255 O GLN A 83 12.156 0.590 6.438 1.00 0.00 O ATOM 1256 CB GLN A 83 10.044 -1.758 7.119 1.00 0.00 C ATOM 1257 CG GLN A 83 8.684 -2.250 7.587 1.00 0.00 C ATOM 1258 CD GLN A 83 8.406 -1.899 9.035 1.00 0.00 C ATOM 1259 OE1 GLN A 83 9.114 -2.340 9.941 1.00 0.00 O ATOM 1260 NE2 GLN A 83 7.369 -1.100 9.260 1.00 0.00 N ATOM 0 H GLN A 83 8.620 -1.441 5.124 1.00 0.00 H new ATOM 0 HA GLN A 83 9.687 0.359 7.039 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.496 -2.517 6.481 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.696 -1.640 7.984 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.908 -1.817 6.956 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.630 -3.331 7.462 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.810 -0.758 8.479 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.132 -0.828 10.214 1.00 0.00 H new ATOM 1269 N ARG A 84 11.641 -0.583 4.588 1.00 0.00 N ATOM 1270 CA ARG A 84 12.923 -0.332 3.940 1.00 0.00 C ATOM 1271 C ARG A 84 13.036 1.124 3.501 1.00 0.00 C ATOM 1272 O ARG A 84 14.113 1.718 3.554 1.00 0.00 O ATOM 1273 CB ARG A 84 13.096 -1.260 2.733 1.00 0.00 C ATOM 1274 CG ARG A 84 14.436 -1.978 2.706 1.00 0.00 C ATOM 1275 CD ARG A 84 14.288 -3.420 2.250 1.00 0.00 C ATOM 1276 NE ARG A 84 13.746 -3.512 0.896 1.00 0.00 N ATOM 1277 CZ ARG A 84 13.752 -4.628 0.170 1.00 0.00 C ATOM 1278 NH1 ARG A 84 14.269 -5.747 0.663 1.00 0.00 N ATOM 1279 NH2 ARG A 84 13.237 -4.626 -1.053 1.00 0.00 N ATOM 0 H ARG A 84 10.996 -1.153 4.041 1.00 0.00 H new ATOM 0 HA ARG A 84 13.714 -0.534 4.662 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.296 -2.001 2.737 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.987 -0.677 1.818 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.118 -1.452 2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.883 -1.954 3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.259 -3.913 2.286 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.634 -3.953 2.940 1.00 0.00 H new ATOM 0 HE ARG A 84 13.340 -2.673 0.483 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.665 -5.755 1.603 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.271 -6.599 0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.837 -3.770 -1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.241 -5.481 -1.610 1.00 0.00 H new ATOM 1293 N TRP A 85 11.916 1.694 3.069 1.00 0.00 N ATOM 1294 CA TRP A 85 11.887 3.082 2.622 1.00 0.00 C ATOM 1295 C TRP A 85 11.909 4.037 3.812 1.00 0.00 C ATOM 1296 O TRP A 85 12.664 5.009 3.828 1.00 0.00 O ATOM 1297 CB TRP A 85 10.645 3.338 1.765 1.00 0.00 C ATOM 1298 CG TRP A 85 10.521 4.757 1.301 1.00 0.00 C ATOM 1299 CD1 TRP A 85 11.334 5.405 0.416 1.00 0.00 C ATOM 1300 CD2 TRP A 85 9.526 5.707 1.702 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.905 6.699 0.240 1.00 0.00 N ATOM 1302 CE2 TRP A 85 9.797 6.908 1.019 1.00 0.00 C ATOM 1303 CE3 TRP A 85 8.432 5.657 2.570 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 9.013 8.048 1.179 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 7.656 6.790 2.728 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.949 7.972 2.035 1.00 0.00 C ATOM 0 H TRP A 85 11.016 1.216 3.019 1.00 0.00 H new ATOM 0 HA TRP A 85 12.777 3.264 2.019 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.671 2.681 0.896 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.757 3.073 2.338 1.00 0.00 H new ATOM 0 HD1 TRP A 85 12.190 4.965 -0.074 1.00 0.00 H new ATOM 0 HE1 TRP A 85 11.340 7.391 -0.371 1.00 0.00 H new ATOM 0 HE3 TRP A 85 8.197 4.750 3.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 9.237 8.960 0.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.809 6.764 3.397 1.00 0.00 H new ATOM 0 HH2 TRP A 85 7.323 8.840 2.180 1.00 0.00 H new ATOM 1317 N LEU A 86 11.073 3.753 4.807 1.00 0.00 N ATOM 1318 CA LEU A 86 10.994 4.586 6.002 1.00 0.00 C ATOM 1319 C LEU A 86 12.357 4.709 6.676 1.00 0.00 C ATOM 1320 O LEU A 86 12.656 5.717 7.315 1.00 0.00 O ATOM 1321 CB LEU A 86 9.976 4.006 6.986 1.00 0.00 C ATOM 1322 CG LEU A 86 8.511 4.214 6.600 1.00 0.00 C ATOM 1323 CD1 LEU A 86 7.615 3.253 7.365 1.00 0.00 C ATOM 1324 CD2 LEU A 86 8.092 5.655 6.857 1.00 0.00 C ATOM 0 H LEU A 86 10.441 2.952 4.809 1.00 0.00 H new ATOM 0 HA LEU A 86 10.671 5.582 5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.161 2.937 7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.145 4.453 7.966 1.00 0.00 H new ATOM 0 HG LEU A 86 8.403 4.009 5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.577 3.416 7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.899 2.227 7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.726 3.426 8.435 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.047 5.785 6.577 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.216 5.887 7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.713 6.326 6.264 1.00 0.00 H new ATOM 1336 N ALA A 87 13.181 3.676 6.528 1.00 0.00 N ATOM 1337 CA ALA A 87 14.513 3.670 7.122 1.00 0.00 C ATOM 1338 C ALA A 87 15.509 4.417 6.242 1.00 0.00 C ATOM 1339 O ALA A 87 16.469 5.006 6.738 1.00 0.00 O ATOM 1340 CB ALA A 87 14.979 2.241 7.355 1.00 0.00 C ATOM 0 H ALA A 87 12.950 2.833 6.002 1.00 0.00 H new ATOM 0 HA ALA A 87 14.459 4.184 8.082 1.00 0.00 H new ATOM 0 HB1 ALA A 87 15.975 2.251 7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 87 14.286 1.738 8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 87 15.011 1.709 6.404 1.00 0.00 H new ATOM 1346 N GLU A 88 15.274 4.388 4.935 1.00 0.00 N ATOM 1347 CA GLU A 88 16.152 5.063 3.985 1.00 0.00 C ATOM 1348 C GLU A 88 15.933 6.572 4.018 1.00 0.00 C ATOM 1349 O GLU A 88 16.886 7.346 4.115 1.00 0.00 O ATOM 1350 CB GLU A 88 15.912 4.532 2.570 1.00 0.00 C ATOM 1351 CG GLU A 88 16.569 3.187 2.305 1.00 0.00 C ATOM 1352 CD GLU A 88 17.359 3.168 1.011 1.00 0.00 C ATOM 1353 OE1 GLU A 88 17.940 4.215 0.655 1.00 0.00 O ATOM 1354 OE2 GLU A 88 17.397 2.107 0.354 1.00 0.00 O ATOM 0 H GLU A 88 14.483 3.905 4.509 1.00 0.00 H new ATOM 0 HA GLU A 88 17.183 4.858 4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.839 4.442 2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.288 5.259 1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.232 2.941 3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.802 2.413 2.269 1.00 0.00 H new ATOM 1361 N ARG A 89 14.672 6.984 3.935 1.00 0.00 N ATOM 1362 CA ARG A 89 14.328 8.400 3.955 1.00 0.00 C ATOM 1363 C ARG A 89 14.734 9.042 5.278 1.00 0.00 C ATOM 1364 O ARG A 89 15.071 10.226 5.328 1.00 0.00 O ATOM 1365 CB ARG A 89 12.826 8.586 3.723 1.00 0.00 C ATOM 1366 CG ARG A 89 11.964 7.997 4.828 1.00 0.00 C ATOM 1367 CD ARG A 89 10.558 8.578 4.809 1.00 0.00 C ATOM 1368 NE ARG A 89 10.287 9.395 5.989 1.00 0.00 N ATOM 1369 CZ ARG A 89 9.284 10.267 6.074 1.00 0.00 C ATOM 1370 NH1 ARG A 89 8.456 10.439 5.050 1.00 0.00 N ATOM 1371 NH2 ARG A 89 9.109 10.970 7.184 1.00 0.00 N ATOM 0 H ARG A 89 13.872 6.357 3.853 1.00 0.00 H new ATOM 0 HA ARG A 89 14.876 8.892 3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.610 9.650 3.633 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.553 8.123 2.775 1.00 0.00 H new ATOM 0 HG2 ARG A 89 11.913 6.914 4.713 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.427 8.193 5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.428 9.183 3.912 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.831 7.767 4.755 1.00 0.00 H new ATOM 0 HE ARG A 89 10.902 9.292 6.796 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.587 9.902 4.193 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.690 11.108 5.121 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.743 10.843 7.973 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.341 11.638 7.249 1.00 0.00 H new ATOM 1385 N LYS A 90 14.699 8.254 6.347 1.00 0.00 N ATOM 1386 CA LYS A 90 15.063 8.745 7.671 1.00 0.00 C ATOM 1387 C LYS A 90 16.568 8.632 7.898 1.00 0.00 C ATOM 1388 O LYS A 90 17.018 7.981 8.841 1.00 0.00 O ATOM 1389 CB LYS A 90 14.309 7.968 8.752 1.00 0.00 C ATOM 1390 CG LYS A 90 12.943 8.550 9.078 1.00 0.00 C ATOM 1391 CD LYS A 90 13.050 9.700 10.065 1.00 0.00 C ATOM 1392 CE LYS A 90 12.749 9.247 11.484 1.00 0.00 C ATOM 1393 NZ LYS A 90 12.990 10.332 12.477 1.00 0.00 N ATOM 0 H LYS A 90 14.422 7.273 6.323 1.00 0.00 H new ATOM 0 HA LYS A 90 14.784 9.797 7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.186 6.935 8.427 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.912 7.947 9.660 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.467 8.898 8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.304 7.771 9.493 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.053 10.125 10.023 1.00 0.00 H new ATOM 0 HD3 LYS A 90 12.357 10.491 9.780 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.711 8.920 11.548 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.370 8.386 11.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.773 9.983 13.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.986 10.627 12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.379 11.145 12.258 1.00 0.00 H new ATOM 1407 N GLN A 91 17.342 9.271 7.026 1.00 0.00 N ATOM 1408 CA GLN A 91 18.797 9.242 7.130 1.00 0.00 C ATOM 1409 C GLN A 91 19.354 10.644 7.353 1.00 0.00 C ATOM 1410 O GLN A 91 18.822 11.625 6.832 1.00 0.00 O ATOM 1411 CB GLN A 91 19.407 8.633 5.866 1.00 0.00 C ATOM 1412 CG GLN A 91 19.570 7.123 5.937 1.00 0.00 C ATOM 1413 CD GLN A 91 20.701 6.702 6.855 1.00 0.00 C ATOM 1414 OE1 GLN A 91 21.515 7.525 7.273 1.00 0.00 O ATOM 1415 NE2 GLN A 91 20.756 5.415 7.173 1.00 0.00 N ATOM 0 H GLN A 91 16.986 9.815 6.240 1.00 0.00 H new ATOM 0 HA GLN A 91 19.063 8.624 7.988 1.00 0.00 H new ATOM 0 HB2 GLN A 91 18.777 8.883 5.012 1.00 0.00 H new ATOM 0 HB3 GLN A 91 20.381 9.088 5.687 1.00 0.00 H new ATOM 0 HG2 GLN A 91 18.639 6.677 6.285 1.00 0.00 H new ATOM 0 HG3 GLN A 91 19.755 6.734 4.936 1.00 0.00 H new ATOM 0 HE21 GLN A 91 20.060 4.768 6.803 1.00 0.00 H new ATOM 0 HE22 GLN A 91 21.495 5.073 7.787 1.00 0.00 H new ATOM 1424 N GLN A 92 20.427 10.732 8.131 1.00 0.00 N ATOM 1425 CA GLN A 92 21.057 12.016 8.423 1.00 0.00 C ATOM 1426 C GLN A 92 22.168 12.315 7.422 1.00 0.00 C ATOM 1427 O GLN A 92 22.392 11.554 6.481 1.00 0.00 O ATOM 1428 CB GLN A 92 21.621 12.018 9.845 1.00 0.00 C ATOM 1429 CG GLN A 92 20.633 12.510 10.890 1.00 0.00 C ATOM 1430 CD GLN A 92 21.291 12.795 12.226 1.00 0.00 C ATOM 1431 OE1 GLN A 92 21.263 13.923 12.718 1.00 0.00 O ATOM 1432 NE2 GLN A 92 21.889 11.770 12.820 1.00 0.00 N ATOM 0 H GLN A 92 20.879 9.931 8.571 1.00 0.00 H new ATOM 0 HA GLN A 92 20.298 12.794 8.340 1.00 0.00 H new ATOM 0 HB2 GLN A 92 21.937 11.007 10.103 1.00 0.00 H new ATOM 0 HB3 GLN A 92 22.511 12.647 9.873 1.00 0.00 H new ATOM 0 HG2 GLN A 92 20.148 13.416 10.528 1.00 0.00 H new ATOM 0 HG3 GLN A 92 19.851 11.762 11.026 1.00 0.00 H new ATOM 0 HE21 GLN A 92 21.888 10.852 12.376 1.00 0.00 H new ATOM 0 HE22 GLN A 92 22.350 11.900 13.721 1.00 0.00 H new ATOM 1441 N SER A 93 22.861 13.430 7.631 1.00 0.00 N ATOM 1442 CA SER A 93 23.949 13.831 6.748 1.00 0.00 C ATOM 1443 C SER A 93 23.442 14.053 5.327 1.00 0.00 C ATOM 1444 O SER A 93 23.325 13.111 4.544 1.00 0.00 O ATOM 1445 CB SER A 93 25.052 12.771 6.748 1.00 0.00 C ATOM 1446 OG SER A 93 26.111 13.136 5.880 1.00 0.00 O ATOM 0 H SER A 93 22.688 14.072 8.405 1.00 0.00 H new ATOM 0 HA SER A 93 24.358 14.770 7.120 1.00 0.00 H new ATOM 0 HB2 SER A 93 25.436 12.641 7.760 1.00 0.00 H new ATOM 0 HB3 SER A 93 24.638 11.811 6.438 1.00 0.00 H new ATOM 0 HG SER A 93 26.804 12.443 5.899 1.00 0.00 H new ATOM 1452 N GLY A 94 23.140 15.306 5.000 1.00 0.00 N ATOM 1453 CA GLY A 94 22.648 15.629 3.674 1.00 0.00 C ATOM 1454 C GLY A 94 23.721 16.236 2.789 1.00 0.00 C ATOM 1455 O GLY A 94 24.910 16.133 3.093 1.00 0.00 O ATOM 0 H GLY A 94 23.227 16.103 5.630 1.00 0.00 H new ATOM 0 HA2 GLY A 94 22.261 14.725 3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 94 21.814 16.326 3.759 1.00 0.00 H new ATOM 1459 N PRO A 95 23.330 16.882 1.677 1.00 0.00 N ATOM 1460 CA PRO A 95 24.280 17.506 0.750 1.00 0.00 C ATOM 1461 C PRO A 95 24.944 18.743 1.348 1.00 0.00 C ATOM 1462 O PRO A 95 26.134 18.980 1.144 1.00 0.00 O ATOM 1463 CB PRO A 95 23.409 17.893 -0.446 1.00 0.00 C ATOM 1464 CG PRO A 95 22.040 18.054 0.119 1.00 0.00 C ATOM 1465 CD PRO A 95 21.933 17.054 1.237 1.00 0.00 C ATOM 0 HA PRO A 95 25.101 16.836 0.496 1.00 0.00 H new ATOM 0 HB2 PRO A 95 23.758 18.817 -0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 95 23.431 17.123 -1.217 1.00 0.00 H new ATOM 0 HG2 PRO A 95 21.887 19.068 0.487 1.00 0.00 H new ATOM 0 HG3 PRO A 95 21.280 17.872 -0.641 1.00 0.00 H new ATOM 0 HD2 PRO A 95 21.300 17.421 2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 95 21.501 16.114 0.895 1.00 0.00 H new ATOM 1473 N SER A 96 24.165 19.527 2.087 1.00 0.00 N ATOM 1474 CA SER A 96 24.678 20.739 2.714 1.00 0.00 C ATOM 1475 C SER A 96 25.154 20.456 4.136 1.00 0.00 C ATOM 1476 O SER A 96 24.501 19.733 4.887 1.00 0.00 O ATOM 1477 CB SER A 96 23.600 21.824 2.732 1.00 0.00 C ATOM 1478 OG SER A 96 23.005 21.973 1.455 1.00 0.00 O ATOM 0 H SER A 96 23.178 19.345 2.266 1.00 0.00 H new ATOM 0 HA SER A 96 25.528 21.090 2.128 1.00 0.00 H new ATOM 0 HB2 SER A 96 22.835 21.569 3.465 1.00 0.00 H new ATOM 0 HB3 SER A 96 24.038 22.772 3.045 1.00 0.00 H new ATOM 0 HG SER A 96 22.318 22.671 1.494 1.00 0.00 H new ATOM 1484 N SER A 97 26.296 21.031 4.497 1.00 0.00 N ATOM 1485 CA SER A 97 26.860 20.841 5.829 1.00 0.00 C ATOM 1486 C SER A 97 26.979 22.172 6.564 1.00 0.00 C ATOM 1487 O SER A 97 27.831 23.000 6.237 1.00 0.00 O ATOM 1488 CB SER A 97 28.234 20.174 5.733 1.00 0.00 C ATOM 1489 OG SER A 97 28.992 20.717 4.666 1.00 0.00 O ATOM 0 H SER A 97 26.849 21.632 3.886 1.00 0.00 H new ATOM 0 HA SER A 97 26.188 20.194 6.392 1.00 0.00 H new ATOM 0 HB2 SER A 97 28.773 20.308 6.671 1.00 0.00 H new ATOM 0 HB3 SER A 97 28.111 19.101 5.587 1.00 0.00 H new ATOM 0 HG SER A 97 28.951 21.696 4.700 1.00 0.00 H new ATOM 1495 N GLY A 98 26.120 22.372 7.558 1.00 0.00 N ATOM 1496 CA GLY A 98 26.146 23.604 8.324 1.00 0.00 C ATOM 1497 C GLY A 98 24.930 23.760 9.215 1.00 0.00 C ATOM 1498 O GLY A 98 24.341 22.729 9.602 1.00 0.00 O ATOM 1499 OXT GLY A 98 24.565 24.913 9.524 1.00 0.00 O ATOM 0 H GLY A 98 25.406 21.703 7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 98 27.047 23.628 8.937 1.00 0.00 H new ATOM 0 HA3 GLY A 98 26.203 24.451 7.641 1.00 0.00 H new TER 1503 GLY A 98