USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 640 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 18 MET CE :methyl -171:sc= -0.351 (180deg=-0.533) USER MOD Set 1.2: A 86 GLN : amide:sc= -0.0056 K(o=-0.36,f=-2.9) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 168:sc= -0.0201 (180deg=-0.215) USER MOD Single : A 4 ASN : amide:sc= 0.402 K(o=0.4,f=-3.1!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 63:sc= -0.484 USER MOD Single : A 19 GLN : amide:sc= -1.91 X(o=-1.9,f=-1.6) USER MOD Single : A 34 SER OG : rot 170:sc= 0 USER MOD Single : A 35 THR OG1 : rot -20:sc= 0.0421 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 164:sc= -0.0763 (180deg=-0.858) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.556 K(o=-0.56,f=-4.7!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 47:sc= 0.409 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 52:sc= 1.17 USER MOD Single : A 76 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.76) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.0464 X(o=-0.046,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.746 26.659 -6.446 1.00 44.34 N ATOM 2 CA GLY A 1 -13.129 26.526 -7.770 1.00 40.43 C ATOM 3 C GLY A 1 -12.105 25.410 -7.755 1.00 55.52 C ATOM 4 O GLY A 1 -12.444 24.277 -8.095 1.00 13.32 O ATOM 0 H1 GLY A 1 -14.447 27.427 -6.465 1.00 44.34 H new ATOM 0 H2 GLY A 1 -14.216 25.767 -6.191 1.00 44.34 H new ATOM 0 H3 GLY A 1 -13.013 26.878 -5.742 1.00 44.34 H new ATOM 0 HA2 GLY A 1 -13.894 26.318 -8.518 1.00 40.43 H new ATOM 0 HA3 GLY A 1 -12.652 27.464 -8.054 1.00 40.43 H new ATOM 8 N HIS A 2 -10.877 25.711 -7.320 1.00 61.11 N ATOM 9 CA HIS A 2 -9.718 24.823 -7.257 1.00 44.53 C ATOM 10 C HIS A 2 -9.294 24.348 -8.657 1.00 75.30 C ATOM 11 O HIS A 2 -8.316 24.878 -9.182 1.00 60.00 O ATOM 12 CB HIS A 2 -9.911 23.727 -6.189 1.00 32.02 C ATOM 13 CG HIS A 2 -8.926 23.844 -5.046 1.00 74.21 C ATOM 14 ND1 HIS A 2 -7.626 23.398 -5.047 1.00 35.25 N ATOM 15 CD2 HIS A 2 -9.147 24.432 -3.829 1.00 43.50 C ATOM 16 CE1 HIS A 2 -7.073 23.701 -3.864 1.00 75.30 C ATOM 17 NE2 HIS A 2 -7.964 24.333 -3.082 1.00 41.12 N ATOM 0 H HIS A 2 -10.654 26.647 -6.980 1.00 61.11 H new ATOM 0 HA HIS A 2 -8.850 25.380 -6.904 1.00 44.53 H new ATOM 0 HB2 HIS A 2 -10.926 23.784 -5.796 1.00 32.02 H new ATOM 0 HB3 HIS A 2 -9.804 22.748 -6.656 1.00 32.02 H new ATOM 0 HD2 HIS A 2 -10.069 24.891 -3.502 1.00 43.50 H new ATOM 0 HE1 HIS A 2 -6.057 23.470 -3.580 1.00 75.30 H new ATOM 0 HE2 HIS A 2 -7.811 24.673 -2.133 1.00 41.12 H new ATOM 24 N MET A 3 -10.057 23.465 -9.310 1.00 14.44 N ATOM 25 CA MET A 3 -9.815 22.949 -10.663 1.00 23.11 C ATOM 26 C MET A 3 -8.348 22.550 -10.871 1.00 53.14 C ATOM 27 O MET A 3 -7.636 23.117 -11.708 1.00 54.24 O ATOM 28 CB MET A 3 -10.326 23.930 -11.733 1.00 51.31 C ATOM 29 CG MET A 3 -11.858 24.002 -11.766 1.00 71.43 C ATOM 30 SD MET A 3 -12.545 25.192 -12.957 1.00 34.24 S ATOM 31 CE MET A 3 -11.913 24.519 -14.523 1.00 14.44 C ATOM 0 H MET A 3 -10.900 23.072 -8.891 1.00 14.44 H new ATOM 0 HA MET A 3 -10.393 22.032 -10.777 1.00 23.11 H new ATOM 0 HB2 MET A 3 -9.921 24.923 -11.537 1.00 51.31 H new ATOM 0 HB3 MET A 3 -9.957 23.623 -12.712 1.00 51.31 H new ATOM 0 HG2 MET A 3 -12.249 23.011 -11.999 1.00 71.43 H new ATOM 0 HG3 MET A 3 -12.216 24.260 -10.769 1.00 71.43 H new ATOM 0 HE1 MET A 3 -12.417 25.006 -15.358 1.00 14.44 H new ATOM 0 HE2 MET A 3 -10.840 24.700 -14.590 1.00 14.44 H new ATOM 0 HE3 MET A 3 -12.103 23.446 -14.561 1.00 14.44 H new ATOM 39 N ASN A 4 -7.890 21.584 -10.078 1.00 55.54 N ATOM 40 CA ASN A 4 -6.623 20.877 -10.222 1.00 14.53 C ATOM 41 C ASN A 4 -6.668 19.635 -9.316 1.00 40.43 C ATOM 42 O ASN A 4 -7.721 19.267 -8.789 1.00 73.03 O ATOM 43 CB ASN A 4 -5.420 21.784 -9.880 1.00 44.24 C ATOM 44 CG ASN A 4 -4.194 21.342 -10.669 1.00 0.53 C ATOM 45 OD1 ASN A 4 -3.415 20.515 -10.214 1.00 32.45 O ATOM 46 ND2 ASN A 4 -4.044 21.802 -11.897 1.00 62.03 N ATOM 0 H ASN A 4 -8.424 21.257 -9.273 1.00 55.54 H new ATOM 0 HA ASN A 4 -6.486 20.575 -11.260 1.00 14.53 H new ATOM 0 HB2 ASN A 4 -5.658 22.822 -10.113 1.00 44.24 H new ATOM 0 HB3 ASN A 4 -5.211 21.738 -8.811 1.00 44.24 H new ATOM 0 HD21 ASN A 4 -3.273 21.468 -12.476 1.00 62.03 H new ATOM 0 HD22 ASN A 4 -4.699 22.491 -12.267 1.00 62.03 H new ATOM 52 N LEU A 5 -5.525 19.004 -9.081 1.00 51.52 N ATOM 53 CA LEU A 5 -5.298 17.951 -8.104 1.00 51.32 C ATOM 54 C LEU A 5 -5.400 18.554 -6.694 1.00 24.03 C ATOM 55 O LEU A 5 -4.530 19.337 -6.309 1.00 63.01 O ATOM 56 CB LEU A 5 -3.897 17.409 -8.415 1.00 52.40 C ATOM 57 CG LEU A 5 -3.511 16.070 -7.794 1.00 74.12 C ATOM 58 CD1 LEU A 5 -3.633 16.020 -6.284 1.00 40.14 C ATOM 59 CD2 LEU A 5 -4.277 14.896 -8.407 1.00 24.01 C ATOM 0 H LEU A 5 -4.678 19.230 -9.602 1.00 51.52 H new ATOM 0 HA LEU A 5 -6.029 17.144 -8.149 1.00 51.32 H new ATOM 0 HB2 LEU A 5 -3.803 17.319 -9.497 1.00 52.40 H new ATOM 0 HB3 LEU A 5 -3.168 18.153 -8.093 1.00 52.40 H new ATOM 0 HG LEU A 5 -2.452 15.972 -8.033 1.00 74.12 H new ATOM 0 HD11 LEU A 5 -3.339 15.033 -5.928 1.00 40.14 H new ATOM 0 HD12 LEU A 5 -2.982 16.774 -5.841 1.00 40.14 H new ATOM 0 HD13 LEU A 5 -4.666 16.217 -5.996 1.00 40.14 H new ATOM 0 HD21 LEU A 5 -3.964 13.968 -7.929 1.00 24.01 H new ATOM 0 HD22 LEU A 5 -5.347 15.040 -8.254 1.00 24.01 H new ATOM 0 HD23 LEU A 5 -4.067 14.843 -9.475 1.00 24.01 H new ATOM 70 N THR A 6 -6.480 18.287 -5.958 1.00 23.04 N ATOM 71 CA THR A 6 -6.731 18.843 -4.623 1.00 40.42 C ATOM 72 C THR A 6 -5.679 18.376 -3.601 1.00 61.41 C ATOM 73 O THR A 6 -5.025 17.347 -3.801 1.00 43.11 O ATOM 74 CB THR A 6 -8.151 18.479 -4.133 1.00 4.24 C ATOM 75 OG1 THR A 6 -8.508 17.167 -4.488 1.00 73.41 O ATOM 76 CG2 THR A 6 -9.235 19.413 -4.666 1.00 0.15 C ATOM 0 H THR A 6 -7.222 17.665 -6.278 1.00 23.04 H new ATOM 0 HA THR A 6 -6.655 19.927 -4.707 1.00 40.42 H new ATOM 0 HB THR A 6 -8.098 18.581 -3.049 1.00 4.24 H new ATOM 0 HG1 THR A 6 -9.411 16.973 -4.160 1.00 73.41 H new ATOM 0 HG21 THR A 6 -10.206 19.100 -4.283 1.00 0.15 H new ATOM 0 HG22 THR A 6 -9.029 20.433 -4.341 1.00 0.15 H new ATOM 0 HG23 THR A 6 -9.245 19.374 -5.755 1.00 0.15 H new ATOM 84 N PRO A 7 -5.537 19.081 -2.463 1.00 44.43 N ATOM 85 CA PRO A 7 -4.560 18.726 -1.444 1.00 55.53 C ATOM 86 C PRO A 7 -4.792 17.315 -0.888 1.00 55.34 C ATOM 87 O PRO A 7 -3.835 16.540 -0.797 1.00 41.34 O ATOM 88 CB PRO A 7 -4.655 19.820 -0.375 1.00 3.53 C ATOM 89 CG PRO A 7 -6.026 20.449 -0.596 1.00 20.32 C ATOM 90 CD PRO A 7 -6.219 20.316 -2.100 1.00 20.24 C ATOM 0 HA PRO A 7 -3.551 18.683 -1.855 1.00 55.53 H new ATOM 0 HB2 PRO A 7 -4.566 19.404 0.628 1.00 3.53 H new ATOM 0 HB3 PRO A 7 -3.858 20.555 -0.487 1.00 3.53 H new ATOM 0 HG2 PRO A 7 -6.805 19.927 -0.040 1.00 20.32 H new ATOM 0 HG3 PRO A 7 -6.050 21.491 -0.276 1.00 20.32 H new ATOM 0 HD2 PRO A 7 -7.277 20.273 -2.359 1.00 20.24 H new ATOM 0 HD3 PRO A 7 -5.796 21.170 -2.629 1.00 20.24 H new ATOM 95 N GLU A 8 -6.037 16.956 -0.557 1.00 21.42 N ATOM 96 CA GLU A 8 -6.334 15.634 -0.017 1.00 14.24 C ATOM 97 C GLU A 8 -6.002 14.523 -1.011 1.00 1.53 C ATOM 98 O GLU A 8 -5.537 13.464 -0.585 1.00 24.34 O ATOM 99 CB GLU A 8 -7.799 15.512 0.425 1.00 44.22 C ATOM 100 CG GLU A 8 -7.976 15.890 1.901 1.00 54.30 C ATOM 101 CD GLU A 8 -9.285 15.364 2.496 1.00 63.03 C ATOM 102 OE1 GLU A 8 -9.613 14.169 2.334 1.00 52.54 O ATOM 103 OE2 GLU A 8 -9.944 16.126 3.244 1.00 74.41 O ATOM 0 H GLU A 8 -6.850 17.564 -0.655 1.00 21.42 H new ATOM 0 HA GLU A 8 -5.697 15.515 0.859 1.00 14.24 H new ATOM 0 HB2 GLU A 8 -8.422 16.158 -0.194 1.00 44.22 H new ATOM 0 HB3 GLU A 8 -8.144 14.490 0.266 1.00 44.22 H new ATOM 0 HG2 GLU A 8 -7.137 15.496 2.475 1.00 54.30 H new ATOM 0 HG3 GLU A 8 -7.948 16.975 1.999 1.00 54.30 H new ATOM 108 N GLU A 9 -6.241 14.739 -2.307 1.00 64.10 N ATOM 109 CA GLU A 9 -5.966 13.768 -3.364 1.00 22.24 C ATOM 110 C GLU A 9 -4.463 13.581 -3.555 1.00 24.15 C ATOM 111 O GLU A 9 -4.018 12.476 -3.859 1.00 55.53 O ATOM 112 CB GLU A 9 -6.634 14.227 -4.669 1.00 64.44 C ATOM 113 CG GLU A 9 -8.132 13.881 -4.740 1.00 52.42 C ATOM 114 CD GLU A 9 -8.446 12.859 -5.832 1.00 22.45 C ATOM 115 OE1 GLU A 9 -8.424 13.242 -7.028 1.00 43.13 O ATOM 116 OE2 GLU A 9 -8.794 11.696 -5.518 1.00 52.31 O ATOM 0 H GLU A 9 -6.639 15.611 -2.656 1.00 64.10 H new ATOM 0 HA GLU A 9 -6.381 12.802 -3.075 1.00 22.24 H new ATOM 0 HB2 GLU A 9 -6.512 15.305 -4.772 1.00 64.44 H new ATOM 0 HB3 GLU A 9 -6.121 13.766 -5.513 1.00 64.44 H new ATOM 0 HG2 GLU A 9 -8.457 13.489 -3.776 1.00 52.42 H new ATOM 0 HG3 GLU A 9 -8.703 14.791 -4.923 1.00 52.42 H new ATOM 121 N ARG A 10 -3.661 14.631 -3.350 1.00 73.21 N ATOM 122 CA ARG A 10 -2.215 14.482 -3.431 1.00 51.40 C ATOM 123 C ARG A 10 -1.725 13.612 -2.285 1.00 55.14 C ATOM 124 O ARG A 10 -0.817 12.814 -2.486 1.00 55.50 O ATOM 125 CB ARG A 10 -1.511 15.844 -3.396 1.00 31.03 C ATOM 126 CG ARG A 10 -0.071 15.710 -3.910 1.00 51.50 C ATOM 127 CD ARG A 10 0.834 16.794 -3.324 1.00 40.44 C ATOM 128 NE ARG A 10 2.247 16.392 -3.423 1.00 2.54 N ATOM 129 CZ ARG A 10 2.872 15.526 -2.612 1.00 31.31 C ATOM 130 NH1 ARG A 10 2.282 15.007 -1.545 1.00 71.31 N ATOM 131 NH2 ARG A 10 4.120 15.180 -2.876 1.00 61.10 N ATOM 0 H ARG A 10 -3.985 15.573 -3.131 1.00 73.21 H new ATOM 0 HA ARG A 10 -1.973 14.005 -4.381 1.00 51.40 H new ATOM 0 HB2 ARG A 10 -2.058 16.560 -4.009 1.00 31.03 H new ATOM 0 HB3 ARG A 10 -1.507 16.233 -2.378 1.00 31.03 H new ATOM 0 HG2 ARG A 10 0.320 14.727 -3.648 1.00 51.50 H new ATOM 0 HG3 ARG A 10 -0.064 15.777 -4.998 1.00 51.50 H new ATOM 0 HD2 ARG A 10 0.678 17.733 -3.855 1.00 40.44 H new ATOM 0 HD3 ARG A 10 0.572 16.971 -2.281 1.00 40.44 H new ATOM 0 HE ARG A 10 2.798 16.808 -4.173 1.00 2.54 H new ATOM 0 HH11 ARG A 10 1.321 15.264 -1.318 1.00 71.31 H new ATOM 0 HH12 ARG A 10 2.789 14.351 -0.951 1.00 71.31 H new ATOM 0 HH21 ARG A 10 4.597 15.571 -3.689 1.00 61.10 H new ATOM 0 HH22 ARG A 10 4.607 14.522 -2.267 1.00 61.10 H new ATOM 142 N ASP A 11 -2.263 13.817 -1.086 1.00 43.53 N ATOM 143 CA ASP A 11 -1.701 13.234 0.124 1.00 24.22 C ATOM 144 C ASP A 11 -2.124 11.775 0.285 1.00 12.24 C ATOM 145 O ASP A 11 -1.390 10.985 0.873 1.00 23.44 O ATOM 146 CB ASP A 11 -2.145 14.072 1.333 1.00 43.43 C ATOM 147 CG ASP A 11 -1.108 14.171 2.451 1.00 0.43 C ATOM 148 OD1 ASP A 11 0.113 14.107 2.166 1.00 73.24 O ATOM 149 OD2 ASP A 11 -1.538 14.497 3.580 1.00 4.12 O ATOM 0 H ASP A 11 -3.094 14.387 -0.928 1.00 43.53 H new ATOM 0 HA ASP A 11 -0.613 13.245 0.054 1.00 24.22 H new ATOM 0 HB2 ASP A 11 -2.390 15.078 0.992 1.00 43.43 H new ATOM 0 HB3 ASP A 11 -3.060 13.642 1.741 1.00 43.43 H new ATOM 153 N ALA A 12 -3.292 11.422 -0.268 1.00 60.33 N ATOM 154 CA ALA A 12 -3.933 10.107 -0.233 1.00 1.45 C ATOM 155 C ALA A 12 -3.274 9.053 -1.135 1.00 13.53 C ATOM 156 O ALA A 12 -3.791 7.944 -1.256 1.00 31.44 O ATOM 157 CB ALA A 12 -5.394 10.293 -0.663 1.00 60.44 C ATOM 0 H ALA A 12 -3.851 12.098 -0.788 1.00 60.33 H new ATOM 0 HA ALA A 12 -3.836 9.727 0.784 1.00 1.45 H new ATOM 0 HB1 ALA A 12 -5.903 9.329 -0.648 1.00 60.44 H new ATOM 0 HB2 ALA A 12 -5.891 10.977 0.025 1.00 60.44 H new ATOM 0 HB3 ALA A 12 -5.427 10.705 -1.672 1.00 60.44 H new ATOM 163 N ARG A 13 -2.164 9.378 -1.799 1.00 3.42 N ATOM 164 CA ARG A 13 -1.520 8.646 -2.877 1.00 22.13 C ATOM 165 C ARG A 13 -1.026 7.238 -2.553 1.00 72.00 C ATOM 166 O ARG A 13 -0.398 6.605 -3.402 1.00 55.13 O ATOM 167 CB ARG A 13 -0.327 9.500 -3.316 1.00 15.41 C ATOM 168 CG ARG A 13 -0.278 9.534 -4.828 1.00 34.05 C ATOM 169 CD ARG A 13 0.990 10.260 -5.261 1.00 75.20 C ATOM 170 NE ARG A 13 0.973 10.521 -6.701 1.00 71.40 N ATOM 171 CZ ARG A 13 0.283 11.499 -7.291 1.00 20.45 C ATOM 172 NH1 ARG A 13 -0.477 12.335 -6.589 1.00 21.25 N ATOM 173 NH2 ARG A 13 0.344 11.635 -8.607 1.00 31.25 N ATOM 0 H ARG A 13 -1.654 10.232 -1.573 1.00 3.42 H new ATOM 0 HA ARG A 13 -2.278 8.486 -3.644 1.00 22.13 H new ATOM 0 HB2 ARG A 13 -0.421 10.511 -2.919 1.00 15.41 H new ATOM 0 HB3 ARG A 13 0.600 9.086 -2.918 1.00 15.41 H new ATOM 0 HG2 ARG A 13 -0.288 8.521 -5.229 1.00 34.05 H new ATOM 0 HG3 ARG A 13 -1.158 10.042 -5.223 1.00 34.05 H new ATOM 0 HD2 ARG A 13 1.080 11.200 -4.717 1.00 75.20 H new ATOM 0 HD3 ARG A 13 1.863 9.660 -5.006 1.00 75.20 H new ATOM 0 HE ARG A 13 1.530 9.910 -7.298 1.00 71.40 H new ATOM 0 HH11 ARG A 13 -0.542 12.237 -5.576 1.00 21.25 H new ATOM 0 HH12 ARG A 13 -0.995 13.075 -7.064 1.00 21.25 H new ATOM 0 HH21 ARG A 13 0.915 10.995 -9.160 1.00 31.25 H new ATOM 0 HH22 ARG A 13 -0.180 12.379 -9.068 1.00 31.25 H new ATOM 184 N THR A 14 -1.232 6.760 -1.344 1.00 15.21 N ATOM 185 CA THR A 14 -0.541 5.618 -0.794 1.00 71.41 C ATOM 186 C THR A 14 -1.597 4.591 -0.421 1.00 0.45 C ATOM 187 O THR A 14 -2.681 4.966 0.024 1.00 14.53 O ATOM 188 CB THR A 14 0.312 6.143 0.373 1.00 64.42 C ATOM 189 OG1 THR A 14 1.195 7.132 -0.131 1.00 13.15 O ATOM 190 CG2 THR A 14 1.136 5.063 1.067 1.00 71.34 C ATOM 0 H THR A 14 -1.907 7.170 -0.698 1.00 15.21 H new ATOM 0 HA THR A 14 0.140 5.115 -1.480 1.00 71.41 H new ATOM 0 HB THR A 14 -0.376 6.541 1.119 1.00 64.42 H new ATOM 0 HG1 THR A 14 1.747 7.481 0.600 1.00 13.15 H new ATOM 0 HG21 THR A 14 1.711 5.509 1.879 1.00 71.34 H new ATOM 0 HG22 THR A 14 0.470 4.300 1.471 1.00 71.34 H new ATOM 0 HG23 THR A 14 1.817 4.607 0.348 1.00 71.34 H new ATOM 198 N VAL A 15 -1.298 3.300 -0.561 1.00 31.43 N ATOM 199 CA VAL A 15 -2.193 2.219 -0.188 1.00 60.31 C ATOM 200 C VAL A 15 -1.495 1.480 0.944 1.00 62.03 C ATOM 201 O VAL A 15 -0.384 0.979 0.774 1.00 52.34 O ATOM 202 CB VAL A 15 -2.605 1.346 -1.399 1.00 23.12 C ATOM 203 CG1 VAL A 15 -3.560 2.135 -2.306 1.00 24.15 C ATOM 204 CG2 VAL A 15 -1.452 0.824 -2.272 1.00 44.20 C ATOM 0 H VAL A 15 -0.410 2.976 -0.944 1.00 31.43 H new ATOM 0 HA VAL A 15 -3.158 2.583 0.164 1.00 60.31 H new ATOM 0 HB VAL A 15 -3.073 0.469 -0.952 1.00 23.12 H new ATOM 0 HG11 VAL A 15 -3.847 1.517 -3.157 1.00 24.15 H new ATOM 0 HG12 VAL A 15 -4.450 2.413 -1.742 1.00 24.15 H new ATOM 0 HG13 VAL A 15 -3.061 3.036 -2.664 1.00 24.15 H new ATOM 0 HG21 VAL A 15 -1.856 0.226 -3.089 1.00 44.20 H new ATOM 0 HG22 VAL A 15 -0.895 1.667 -2.681 1.00 44.20 H new ATOM 0 HG23 VAL A 15 -0.787 0.209 -1.666 1.00 44.20 H new ATOM 214 N PHE A 16 -2.094 1.517 2.133 1.00 22.02 N ATOM 215 CA PHE A 16 -1.703 0.675 3.243 1.00 1.15 C ATOM 216 C PHE A 16 -2.230 -0.716 2.926 1.00 12.42 C ATOM 217 O PHE A 16 -3.413 -0.897 2.630 1.00 21.01 O ATOM 218 CB PHE A 16 -2.307 1.178 4.559 1.00 32.25 C ATOM 219 CG PHE A 16 -2.140 0.207 5.714 1.00 15.54 C ATOM 220 CD1 PHE A 16 -0.914 -0.448 5.927 1.00 23.23 C ATOM 221 CD2 PHE A 16 -3.258 -0.154 6.483 1.00 63.33 C ATOM 222 CE1 PHE A 16 -0.839 -1.546 6.800 1.00 11.23 C ATOM 223 CE2 PHE A 16 -3.172 -1.229 7.385 1.00 54.42 C ATOM 224 CZ PHE A 16 -1.967 -1.933 7.537 1.00 14.53 C ATOM 0 H PHE A 16 -2.872 2.142 2.347 1.00 22.02 H new ATOM 0 HA PHE A 16 -0.620 0.680 3.368 1.00 1.15 H new ATOM 0 HB2 PHE A 16 -1.842 2.128 4.823 1.00 32.25 H new ATOM 0 HB3 PHE A 16 -3.369 1.374 4.410 1.00 32.25 H new ATOM 0 HD1 PHE A 16 -0.026 -0.105 5.417 1.00 23.23 H new ATOM 0 HD2 PHE A 16 -4.183 0.394 6.382 1.00 63.33 H new ATOM 0 HE1 PHE A 16 0.087 -2.092 6.903 1.00 11.23 H new ATOM 0 HE2 PHE A 16 -4.038 -1.515 7.964 1.00 54.42 H new ATOM 0 HZ PHE A 16 -1.909 -2.769 8.219 1.00 14.53 H new ATOM 233 N CYS A 17 -1.358 -1.704 2.998 1.00 23.34 N ATOM 234 CA CYS A 17 -1.611 -3.061 2.588 1.00 2.55 C ATOM 235 C CYS A 17 -1.385 -3.931 3.811 1.00 51.13 C ATOM 236 O CYS A 17 -0.313 -3.914 4.419 1.00 32.05 O ATOM 237 CB CYS A 17 -0.662 -3.371 1.442 1.00 31.33 C ATOM 238 SG CYS A 17 -0.939 -2.201 0.073 1.00 60.44 S ATOM 0 H CYS A 17 -0.414 -1.570 3.361 1.00 23.34 H new ATOM 0 HA CYS A 17 -2.625 -3.237 2.229 1.00 2.55 H new ATOM 0 HB2 CYS A 17 0.370 -3.305 1.785 1.00 31.33 H new ATOM 0 HB3 CYS A 17 -0.818 -4.393 1.096 1.00 31.33 H new ATOM 0 HG CYS A 17 -0.668 -0.994 0.472 1.00 60.44 H new ATOM 243 N MET A 18 -2.426 -4.660 4.195 1.00 75.41 N ATOM 244 CA MET A 18 -2.459 -5.523 5.362 1.00 1.22 C ATOM 245 C MET A 18 -2.844 -6.926 4.886 1.00 60.05 C ATOM 246 O MET A 18 -3.382 -7.062 3.786 1.00 23.31 O ATOM 247 CB MET A 18 -3.488 -4.951 6.344 1.00 2.33 C ATOM 248 CG MET A 18 -3.482 -5.638 7.712 1.00 32.32 C ATOM 249 SD MET A 18 -4.262 -4.676 9.029 1.00 61.20 S ATOM 250 CE MET A 18 -5.962 -4.621 8.421 1.00 1.15 C ATOM 0 H MET A 18 -3.305 -4.664 3.678 1.00 75.41 H new ATOM 0 HA MET A 18 -1.496 -5.578 5.870 1.00 1.22 H new ATOM 0 HB2 MET A 18 -3.294 -3.887 6.481 1.00 2.33 H new ATOM 0 HB3 MET A 18 -4.483 -5.040 5.907 1.00 2.33 H new ATOM 0 HG2 MET A 18 -3.993 -6.597 7.627 1.00 32.32 H new ATOM 0 HG3 MET A 18 -2.451 -5.850 7.995 1.00 32.32 H new ATOM 0 HE1 MET A 18 -6.545 -3.931 9.031 1.00 1.15 H new ATOM 0 HE2 MET A 18 -5.967 -4.282 7.385 1.00 1.15 H new ATOM 0 HE3 MET A 18 -6.402 -5.617 8.479 1.00 1.15 H new ATOM 258 N GLN A 19 -2.640 -7.936 5.739 1.00 43.25 N ATOM 259 CA GLN A 19 -2.815 -9.368 5.471 1.00 60.15 C ATOM 260 C GLN A 19 -1.671 -9.934 4.615 1.00 72.12 C ATOM 261 O GLN A 19 -1.746 -11.066 4.136 1.00 33.33 O ATOM 262 CB GLN A 19 -4.211 -9.704 4.911 1.00 61.32 C ATOM 263 CG GLN A 19 -4.651 -11.124 5.303 1.00 44.44 C ATOM 264 CD GLN A 19 -5.898 -11.645 4.595 1.00 21.24 C ATOM 265 OE1 GLN A 19 -6.188 -12.834 4.707 1.00 34.40 O ATOM 266 NE2 GLN A 19 -6.642 -10.822 3.878 1.00 24.10 N ATOM 0 H GLN A 19 -2.329 -7.764 6.695 1.00 43.25 H new ATOM 0 HA GLN A 19 -2.760 -9.876 6.434 1.00 60.15 H new ATOM 0 HB2 GLN A 19 -4.937 -8.982 5.284 1.00 61.32 H new ATOM 0 HB3 GLN A 19 -4.200 -9.613 3.825 1.00 61.32 H new ATOM 0 HG2 GLN A 19 -3.827 -11.809 5.102 1.00 44.44 H new ATOM 0 HG3 GLN A 19 -4.829 -11.146 6.378 1.00 44.44 H new ATOM 0 HE21 GLN A 19 -6.383 -9.839 3.798 1.00 24.10 H new ATOM 0 HE22 GLN A 19 -7.476 -11.170 3.404 1.00 24.10 H new ATOM 273 N LEU A 20 -0.589 -9.173 4.446 1.00 41.21 N ATOM 274 CA LEU A 20 0.563 -9.610 3.671 1.00 71.41 C ATOM 275 C LEU A 20 1.238 -10.795 4.382 1.00 40.51 C ATOM 276 O LEU A 20 0.943 -11.086 5.549 1.00 53.51 O ATOM 277 CB LEU A 20 1.531 -8.436 3.424 1.00 24.44 C ATOM 278 CG LEU A 20 0.859 -7.163 2.869 1.00 63.13 C ATOM 279 CD1 LEU A 20 1.860 -6.008 2.869 1.00 2.14 C ATOM 280 CD2 LEU A 20 0.280 -7.401 1.473 1.00 24.10 C ATOM 0 H LEU A 20 -0.491 -8.239 4.843 1.00 41.21 H new ATOM 0 HA LEU A 20 0.239 -9.953 2.688 1.00 71.41 H new ATOM 0 HB2 LEU A 20 2.031 -8.190 4.361 1.00 24.44 H new ATOM 0 HB3 LEU A 20 2.303 -8.758 2.726 1.00 24.44 H new ATOM 0 HG LEU A 20 0.024 -6.899 3.517 1.00 63.13 H new ATOM 0 HD11 LEU A 20 1.381 -5.111 2.476 1.00 2.14 H new ATOM 0 HD12 LEU A 20 2.200 -5.821 3.888 1.00 2.14 H new ATOM 0 HD13 LEU A 20 2.714 -6.267 2.243 1.00 2.14 H new ATOM 0 HD21 LEU A 20 -0.186 -6.484 1.111 1.00 24.10 H new ATOM 0 HD22 LEU A 20 1.079 -7.695 0.793 1.00 24.10 H new ATOM 0 HD23 LEU A 20 -0.467 -8.194 1.519 1.00 24.10 H new ATOM 291 N ALA A 21 2.157 -11.482 3.701 1.00 55.21 N ATOM 292 CA ALA A 21 2.855 -12.611 4.301 1.00 14.53 C ATOM 293 C ALA A 21 3.809 -12.132 5.400 1.00 41.24 C ATOM 294 O ALA A 21 4.393 -11.047 5.313 1.00 43.34 O ATOM 295 CB ALA A 21 3.615 -13.408 3.233 1.00 3.21 C ATOM 0 H ALA A 21 2.431 -11.275 2.741 1.00 55.21 H new ATOM 0 HA ALA A 21 2.114 -13.270 4.754 1.00 14.53 H new ATOM 0 HB1 ALA A 21 4.129 -14.247 3.702 1.00 3.21 H new ATOM 0 HB2 ALA A 21 2.911 -13.784 2.490 1.00 3.21 H new ATOM 0 HB3 ALA A 21 4.345 -12.761 2.747 1.00 3.21 H new ATOM 301 N ALA A 22 4.055 -13.000 6.383 1.00 72.21 N ATOM 302 CA ALA A 22 5.059 -12.796 7.426 1.00 42.24 C ATOM 303 C ALA A 22 6.502 -12.927 6.906 1.00 52.14 C ATOM 304 O ALA A 22 7.445 -12.738 7.674 1.00 11.40 O ATOM 305 CB ALA A 22 4.803 -13.808 8.545 1.00 44.13 C ATOM 0 H ALA A 22 3.551 -13.882 6.477 1.00 72.21 H new ATOM 0 HA ALA A 22 4.963 -11.775 7.795 1.00 42.24 H new ATOM 0 HB1 ALA A 22 5.542 -13.672 9.334 1.00 44.13 H new ATOM 0 HB2 ALA A 22 3.804 -13.654 8.953 1.00 44.13 H new ATOM 0 HB3 ALA A 22 4.880 -14.819 8.146 1.00 44.13 H new ATOM 311 N ARG A 23 6.682 -13.286 5.630 1.00 0.43 N ATOM 312 CA ARG A 23 7.958 -13.466 4.950 1.00 14.53 C ATOM 313 C ARG A 23 7.911 -12.839 3.553 1.00 74.05 C ATOM 314 O ARG A 23 8.435 -13.417 2.599 1.00 64.42 O ATOM 315 CB ARG A 23 8.240 -14.973 4.878 1.00 35.44 C ATOM 316 CG ARG A 23 9.725 -15.262 4.586 1.00 63.03 C ATOM 317 CD ARG A 23 10.329 -16.198 5.633 1.00 63.23 C ATOM 318 NE ARG A 23 10.190 -15.688 7.008 1.00 61.42 N ATOM 319 CZ ARG A 23 10.726 -14.569 7.500 1.00 24.02 C ATOM 320 NH1 ARG A 23 11.760 -13.990 6.899 1.00 13.22 N ATOM 321 NH2 ARG A 23 10.227 -14.034 8.604 1.00 2.32 N ATOM 0 H ARG A 23 5.891 -13.468 5.013 1.00 0.43 H new ATOM 0 HA ARG A 23 8.759 -12.968 5.496 1.00 14.53 H new ATOM 0 HB2 ARG A 23 7.957 -15.442 5.820 1.00 35.44 H new ATOM 0 HB3 ARG A 23 7.622 -15.422 4.100 1.00 35.44 H new ATOM 0 HG2 ARG A 23 9.822 -15.709 3.597 1.00 63.03 H new ATOM 0 HG3 ARG A 23 10.283 -14.326 4.568 1.00 63.03 H new ATOM 0 HD2 ARG A 23 9.847 -17.173 5.562 1.00 63.23 H new ATOM 0 HD3 ARG A 23 11.386 -16.348 5.412 1.00 63.23 H new ATOM 0 HE ARG A 23 9.627 -16.247 7.649 1.00 61.42 H new ATOM 0 HH11 ARG A 23 12.153 -14.400 6.052 1.00 13.22 H new ATOM 0 HH12 ARG A 23 12.161 -13.135 7.285 1.00 13.22 H new ATOM 0 HH21 ARG A 23 9.437 -14.477 9.074 1.00 2.32 H new ATOM 0 HH22 ARG A 23 10.632 -13.179 8.985 1.00 2.32 H new ATOM 332 N ILE A 24 7.171 -11.746 3.372 1.00 35.34 N ATOM 333 CA ILE A 24 7.084 -11.112 2.066 1.00 74.03 C ATOM 334 C ILE A 24 8.421 -10.419 1.763 1.00 15.10 C ATOM 335 O ILE A 24 8.987 -9.784 2.663 1.00 13.10 O ATOM 336 CB ILE A 24 5.849 -10.188 2.007 1.00 13.11 C ATOM 337 CG1 ILE A 24 5.505 -9.902 0.541 1.00 0.31 C ATOM 338 CG2 ILE A 24 5.964 -8.880 2.795 1.00 24.34 C ATOM 339 CD1 ILE A 24 4.166 -10.513 0.132 1.00 74.42 C ATOM 0 H ILE A 24 6.631 -11.289 4.106 1.00 35.34 H new ATOM 0 HA ILE A 24 6.929 -11.845 1.275 1.00 74.03 H new ATOM 0 HB ILE A 24 5.047 -10.733 2.505 1.00 13.11 H new ATOM 0 HG12 ILE A 24 5.475 -8.824 0.380 1.00 0.31 H new ATOM 0 HG13 ILE A 24 6.294 -10.298 -0.099 1.00 0.31 H new ATOM 0 HG21 ILE A 24 5.043 -8.307 2.686 1.00 24.34 H new ATOM 0 HG22 ILE A 24 6.129 -9.104 3.849 1.00 24.34 H new ATOM 0 HG23 ILE A 24 6.802 -8.297 2.412 1.00 24.34 H new ATOM 0 HD11 ILE A 24 3.966 -10.284 -0.915 1.00 74.42 H new ATOM 0 HD12 ILE A 24 4.203 -11.594 0.266 1.00 74.42 H new ATOM 0 HD13 ILE A 24 3.372 -10.098 0.753 1.00 74.42 H new ATOM 350 N ARG A 25 8.911 -10.521 0.519 1.00 34.44 N ATOM 351 CA ARG A 25 10.063 -9.725 0.084 1.00 35.12 C ATOM 352 C ARG A 25 9.580 -8.309 -0.211 1.00 31.24 C ATOM 353 O ARG A 25 8.448 -8.153 -0.670 1.00 40.35 O ATOM 354 CB ARG A 25 10.713 -10.307 -1.187 1.00 0.50 C ATOM 355 CG ARG A 25 12.013 -11.074 -0.892 1.00 20.11 C ATOM 356 CD ARG A 25 12.620 -11.657 -2.176 1.00 63.23 C ATOM 357 NE ARG A 25 11.794 -12.767 -2.663 1.00 74.02 N ATOM 358 CZ ARG A 25 11.692 -13.272 -3.892 1.00 13.23 C ATOM 359 NH1 ARG A 25 12.434 -12.835 -4.905 1.00 71.21 N ATOM 360 NH2 ARG A 25 10.812 -14.239 -4.095 1.00 4.30 N ATOM 0 H ARG A 25 8.531 -11.141 -0.196 1.00 34.44 H new ATOM 0 HA ARG A 25 10.811 -9.734 0.877 1.00 35.12 H new ATOM 0 HB2 ARG A 25 10.006 -10.975 -1.678 1.00 0.50 H new ATOM 0 HB3 ARG A 25 10.924 -9.497 -1.885 1.00 0.50 H new ATOM 0 HG2 ARG A 25 12.732 -10.406 -0.418 1.00 20.11 H new ATOM 0 HG3 ARG A 25 11.811 -11.878 -0.185 1.00 20.11 H new ATOM 0 HD2 ARG A 25 12.689 -10.882 -2.940 1.00 63.23 H new ATOM 0 HD3 ARG A 25 13.635 -12.006 -1.983 1.00 63.23 H new ATOM 0 HE ARG A 25 11.212 -13.219 -1.957 1.00 74.02 H new ATOM 0 HH11 ARG A 25 13.111 -12.087 -4.756 1.00 71.21 H new ATOM 0 HH12 ARG A 25 12.326 -13.248 -5.831 1.00 71.21 H new ATOM 0 HH21 ARG A 25 10.237 -14.576 -3.323 1.00 4.30 H new ATOM 0 HH22 ARG A 25 10.709 -14.648 -5.024 1.00 4.30 H new ATOM 371 N PRO A 26 10.443 -7.286 -0.102 1.00 75.43 N ATOM 372 CA PRO A 26 10.086 -5.902 -0.385 1.00 35.20 C ATOM 373 C PRO A 26 9.827 -5.615 -1.867 1.00 42.54 C ATOM 374 O PRO A 26 9.519 -4.476 -2.198 1.00 43.51 O ATOM 375 CB PRO A 26 11.246 -5.067 0.161 1.00 42.41 C ATOM 376 CG PRO A 26 12.443 -5.996 0.010 1.00 13.24 C ATOM 377 CD PRO A 26 11.839 -7.369 0.300 1.00 14.33 C ATOM 0 HA PRO A 26 9.136 -5.655 0.089 1.00 35.20 H new ATOM 0 HB2 PRO A 26 11.379 -4.144 -0.403 1.00 42.41 H new ATOM 0 HB3 PRO A 26 11.084 -4.784 1.201 1.00 42.41 H new ATOM 0 HG2 PRO A 26 12.872 -5.945 -0.991 1.00 13.24 H new ATOM 0 HG3 PRO A 26 13.240 -5.748 0.711 1.00 13.24 H new ATOM 0 HD2 PRO A 26 12.359 -8.149 -0.255 1.00 14.33 H new ATOM 0 HD3 PRO A 26 11.926 -7.618 1.358 1.00 14.33 H new ATOM 382 N ARG A 27 9.920 -6.602 -2.764 1.00 12.43 N ATOM 383 CA ARG A 27 9.586 -6.461 -4.180 1.00 72.04 C ATOM 384 C ARG A 27 8.351 -7.286 -4.561 1.00 72.24 C ATOM 385 O ARG A 27 7.879 -7.181 -5.689 1.00 31.21 O ATOM 386 CB ARG A 27 10.832 -6.807 -5.017 1.00 2.50 C ATOM 387 CG ARG A 27 10.708 -6.400 -6.493 1.00 14.54 C ATOM 388 CD ARG A 27 11.960 -6.774 -7.283 1.00 60.05 C ATOM 389 NE ARG A 27 11.917 -6.172 -8.622 1.00 35.13 N ATOM 390 CZ ARG A 27 11.196 -6.576 -9.675 1.00 72.41 C ATOM 391 NH1 ARG A 27 10.548 -7.734 -9.668 1.00 2.50 N ATOM 392 NH2 ARG A 27 11.127 -5.801 -10.742 1.00 1.12 N ATOM 0 H ARG A 27 10.237 -7.540 -2.518 1.00 12.43 H new ATOM 0 HA ARG A 27 9.307 -5.429 -4.393 1.00 72.04 H new ATOM 0 HB2 ARG A 27 11.701 -6.312 -4.583 1.00 2.50 H new ATOM 0 HB3 ARG A 27 11.014 -7.880 -4.958 1.00 2.50 H new ATOM 0 HG2 ARG A 27 9.839 -6.888 -6.934 1.00 14.54 H new ATOM 0 HG3 ARG A 27 10.540 -5.325 -6.562 1.00 14.54 H new ATOM 0 HD2 ARG A 27 12.849 -6.433 -6.752 1.00 60.05 H new ATOM 0 HD3 ARG A 27 12.035 -7.858 -7.367 1.00 60.05 H new ATOM 0 HE ARG A 27 12.505 -5.351 -8.766 1.00 35.13 H new ATOM 0 HH11 ARG A 27 10.593 -8.338 -8.848 1.00 2.50 H new ATOM 0 HH12 ARG A 27 10.005 -8.020 -10.483 1.00 2.50 H new ATOM 0 HH21 ARG A 27 11.619 -4.908 -10.756 1.00 1.12 H new ATOM 0 HH22 ARG A 27 10.581 -6.096 -11.552 1.00 1.12 H new ATOM 403 N ASP A 28 7.787 -8.097 -3.660 1.00 34.03 N ATOM 404 CA ASP A 28 6.604 -8.889 -4.031 1.00 60.11 C ATOM 405 C ASP A 28 5.397 -7.949 -4.142 1.00 20.10 C ATOM 406 O ASP A 28 4.456 -8.222 -4.888 1.00 41.44 O ATOM 407 CB ASP A 28 6.269 -9.987 -3.003 1.00 4.43 C ATOM 408 CG ASP A 28 7.278 -11.128 -2.833 1.00 63.44 C ATOM 409 OD1 ASP A 28 8.125 -11.361 -3.721 1.00 31.32 O ATOM 410 OD2 ASP A 28 7.187 -11.879 -1.825 1.00 23.01 O ATOM 0 H ASP A 28 8.113 -8.223 -2.702 1.00 34.03 H new ATOM 0 HA ASP A 28 6.828 -9.380 -4.978 1.00 60.11 H new ATOM 0 HB2 ASP A 28 6.134 -9.509 -2.032 1.00 4.43 H new ATOM 0 HB3 ASP A 28 5.310 -10.425 -3.279 1.00 4.43 H new ATOM 414 N LEU A 29 5.389 -6.865 -3.354 1.00 42.54 N ATOM 415 CA LEU A 29 4.227 -6.009 -3.151 1.00 55.41 C ATOM 416 C LEU A 29 3.992 -5.147 -4.375 1.00 3.54 C ATOM 417 O LEU A 29 2.880 -5.105 -4.903 1.00 31.03 O ATOM 418 CB LEU A 29 4.383 -5.088 -1.924 1.00 53.10 C ATOM 419 CG LEU A 29 4.539 -5.752 -0.542 1.00 21.11 C ATOM 420 CD1 LEU A 29 3.615 -6.961 -0.358 1.00 14.30 C ATOM 421 CD2 LEU A 29 5.979 -6.180 -0.259 1.00 15.20 C ATOM 0 H LEU A 29 6.210 -6.558 -2.832 1.00 42.54 H new ATOM 0 HA LEU A 29 3.378 -6.670 -2.978 1.00 55.41 H new ATOM 0 HB2 LEU A 29 5.253 -4.453 -2.090 1.00 53.10 H new ATOM 0 HB3 LEU A 29 3.513 -4.433 -1.884 1.00 53.10 H new ATOM 0 HG LEU A 29 4.251 -4.981 0.173 1.00 21.11 H new ATOM 0 HD11 LEU A 29 3.768 -7.388 0.633 1.00 14.30 H new ATOM 0 HD12 LEU A 29 2.577 -6.645 -0.460 1.00 14.30 H new ATOM 0 HD13 LEU A 29 3.842 -7.711 -1.116 1.00 14.30 H new ATOM 0 HD21 LEU A 29 6.034 -6.642 0.727 1.00 15.20 H new ATOM 0 HD22 LEU A 29 6.301 -6.897 -1.014 1.00 15.20 H new ATOM 0 HD23 LEU A 29 6.630 -5.307 -0.287 1.00 15.20 H new ATOM 432 N GLU A 30 5.035 -4.436 -4.792 1.00 41.44 N ATOM 433 CA GLU A 30 4.977 -3.511 -5.903 1.00 43.43 C ATOM 434 C GLU A 30 4.687 -4.253 -7.201 1.00 20.24 C ATOM 435 O GLU A 30 3.883 -3.779 -7.997 1.00 1.31 O ATOM 436 CB GLU A 30 6.277 -2.699 -5.960 1.00 11.25 C ATOM 437 CG GLU A 30 7.564 -3.530 -6.132 1.00 2.33 C ATOM 438 CD GLU A 30 8.818 -2.781 -5.681 1.00 61.10 C ATOM 439 OE1 GLU A 30 8.766 -2.045 -4.671 1.00 44.31 O ATOM 440 OE2 GLU A 30 9.892 -2.938 -6.303 1.00 11.21 O ATOM 0 H GLU A 30 5.956 -4.492 -4.356 1.00 41.44 H new ATOM 0 HA GLU A 30 4.156 -2.808 -5.760 1.00 43.43 H new ATOM 0 HB2 GLU A 30 6.208 -1.991 -6.786 1.00 11.25 H new ATOM 0 HB3 GLU A 30 6.361 -2.114 -5.044 1.00 11.25 H new ATOM 0 HG2 GLU A 30 7.473 -4.454 -5.561 1.00 2.33 H new ATOM 0 HG3 GLU A 30 7.672 -3.812 -7.179 1.00 2.33 H new ATOM 445 N GLU A 31 5.285 -5.429 -7.400 1.00 11.15 N ATOM 446 CA GLU A 31 5.153 -6.192 -8.636 1.00 61.21 C ATOM 447 C GLU A 31 3.739 -6.728 -8.830 1.00 73.41 C ATOM 448 O GLU A 31 3.290 -6.896 -9.966 1.00 42.42 O ATOM 449 CB GLU A 31 6.164 -7.338 -8.641 1.00 64.03 C ATOM 450 CG GLU A 31 7.576 -6.814 -8.891 1.00 75.41 C ATOM 451 CD GLU A 31 7.784 -6.345 -10.330 1.00 22.13 C ATOM 452 OE1 GLU A 31 7.504 -5.166 -10.643 1.00 44.22 O ATOM 453 OE2 GLU A 31 8.243 -7.155 -11.164 1.00 43.42 O ATOM 0 H GLU A 31 5.877 -5.879 -6.702 1.00 11.15 H new ATOM 0 HA GLU A 31 5.357 -5.520 -9.469 1.00 61.21 H new ATOM 0 HB2 GLU A 31 6.130 -7.863 -7.687 1.00 64.03 H new ATOM 0 HB3 GLU A 31 5.898 -8.061 -9.412 1.00 64.03 H new ATOM 0 HG2 GLU A 31 7.778 -5.987 -8.211 1.00 75.41 H new ATOM 0 HG3 GLU A 31 8.297 -7.599 -8.661 1.00 75.41 H new ATOM 458 N PHE A 32 3.013 -6.955 -7.736 1.00 34.22 N ATOM 459 CA PHE A 32 1.602 -7.271 -7.808 1.00 31.33 C ATOM 460 C PHE A 32 0.828 -6.107 -8.430 1.00 21.25 C ATOM 461 O PHE A 32 0.059 -6.322 -9.363 1.00 15.23 O ATOM 462 CB PHE A 32 1.062 -7.635 -6.429 1.00 21.32 C ATOM 463 CG PHE A 32 -0.418 -7.929 -6.485 1.00 22.24 C ATOM 464 CD1 PHE A 32 -0.920 -8.848 -7.423 1.00 34.01 C ATOM 465 CD2 PHE A 32 -1.305 -7.207 -5.674 1.00 34.03 C ATOM 466 CE1 PHE A 32 -2.300 -9.047 -7.536 1.00 4.33 C ATOM 467 CE2 PHE A 32 -2.686 -7.446 -5.744 1.00 60.21 C ATOM 468 CZ PHE A 32 -3.182 -8.361 -6.686 1.00 15.42 C ATOM 0 H PHE A 32 3.389 -6.924 -6.788 1.00 34.22 H new ATOM 0 HA PHE A 32 1.467 -8.141 -8.451 1.00 31.33 H new ATOM 0 HB2 PHE A 32 1.594 -8.505 -6.045 1.00 21.32 H new ATOM 0 HB3 PHE A 32 1.247 -6.815 -5.735 1.00 21.32 H new ATOM 0 HD1 PHE A 32 -0.241 -9.400 -8.056 1.00 34.01 H new ATOM 0 HD2 PHE A 32 -0.923 -6.462 -4.991 1.00 34.03 H new ATOM 0 HE1 PHE A 32 -2.687 -9.729 -8.278 1.00 4.33 H new ATOM 0 HE2 PHE A 32 -3.362 -6.930 -5.078 1.00 60.21 H new ATOM 0 HZ PHE A 32 -4.245 -8.538 -6.757 1.00 15.42 H new ATOM 477 N PHE A 33 1.020 -4.876 -7.951 1.00 51.42 N ATOM 478 CA PHE A 33 0.320 -3.726 -8.518 1.00 31.31 C ATOM 479 C PHE A 33 0.869 -3.343 -9.895 1.00 61.21 C ATOM 480 O PHE A 33 0.119 -2.828 -10.722 1.00 52.31 O ATOM 481 CB PHE A 33 0.402 -2.533 -7.559 1.00 40.10 C ATOM 482 CG PHE A 33 -0.200 -2.731 -6.177 1.00 31.45 C ATOM 483 CD1 PHE A 33 -1.345 -3.530 -5.975 1.00 53.32 C ATOM 484 CD2 PHE A 33 0.379 -2.069 -5.078 1.00 40.54 C ATOM 485 CE1 PHE A 33 -1.883 -3.682 -4.686 1.00 1.21 C ATOM 486 CE2 PHE A 33 -0.152 -2.228 -3.788 1.00 42.54 C ATOM 487 CZ PHE A 33 -1.280 -3.039 -3.593 1.00 74.40 C ATOM 0 H PHE A 33 1.649 -4.653 -7.179 1.00 51.42 H new ATOM 0 HA PHE A 33 -0.724 -4.009 -8.652 1.00 31.31 H new ATOM 0 HB2 PHE A 33 1.451 -2.264 -7.439 1.00 40.10 H new ATOM 0 HB3 PHE A 33 -0.094 -1.683 -8.028 1.00 40.10 H new ATOM 0 HD1 PHE A 33 -1.810 -4.027 -6.814 1.00 53.32 H new ATOM 0 HD2 PHE A 33 1.239 -1.433 -5.228 1.00 40.54 H new ATOM 0 HE1 PHE A 33 -2.760 -4.293 -4.536 1.00 1.21 H new ATOM 0 HE2 PHE A 33 0.307 -1.727 -2.948 1.00 42.54 H new ATOM 0 HZ PHE A 33 -1.685 -3.169 -2.600 1.00 74.40 H new ATOM 496 N SER A 34 2.145 -3.616 -10.166 1.00 40.34 N ATOM 497 CA SER A 34 2.896 -3.186 -11.338 1.00 43.11 C ATOM 498 C SER A 34 2.265 -3.638 -12.659 1.00 60.22 C ATOM 499 O SER A 34 2.537 -3.042 -13.702 1.00 55.32 O ATOM 500 CB SER A 34 4.332 -3.709 -11.194 1.00 13.22 C ATOM 501 OG SER A 34 5.185 -3.269 -12.225 1.00 53.32 O ATOM 0 H SER A 34 2.714 -4.178 -9.532 1.00 40.34 H new ATOM 0 HA SER A 34 2.886 -2.097 -11.380 1.00 43.11 H new ATOM 0 HB2 SER A 34 4.735 -3.387 -10.234 1.00 13.22 H new ATOM 0 HB3 SER A 34 4.316 -4.799 -11.183 1.00 13.22 H new ATOM 0 HG SER A 34 6.112 -3.494 -12.001 1.00 53.32 H new ATOM 506 N THR A 35 1.409 -4.661 -12.652 1.00 42.22 N ATOM 507 CA THR A 35 0.809 -5.124 -13.904 1.00 63.30 C ATOM 508 C THR A 35 -0.313 -4.182 -14.366 1.00 40.34 C ATOM 509 O THR A 35 -0.698 -4.213 -15.535 1.00 24.01 O ATOM 510 CB THR A 35 0.418 -6.608 -13.805 1.00 44.53 C ATOM 511 OG1 THR A 35 -0.054 -7.111 -15.036 1.00 2.44 O ATOM 512 CG2 THR A 35 -0.632 -6.896 -12.741 1.00 11.34 C ATOM 0 H THR A 35 1.121 -5.173 -11.818 1.00 42.22 H new ATOM 0 HA THR A 35 1.550 -5.078 -14.702 1.00 63.30 H new ATOM 0 HB THR A 35 1.342 -7.111 -13.520 1.00 44.53 H new ATOM 0 HG1 THR A 35 -0.345 -6.367 -15.604 1.00 2.44 H new ATOM 0 HG21 THR A 35 -0.856 -7.963 -12.731 1.00 11.34 H new ATOM 0 HG22 THR A 35 -0.252 -6.596 -11.764 1.00 11.34 H new ATOM 0 HG23 THR A 35 -1.540 -6.336 -12.965 1.00 11.34 H new ATOM 520 N VAL A 36 -0.814 -3.312 -13.485 1.00 15.54 N ATOM 521 CA VAL A 36 -1.871 -2.356 -13.793 1.00 44.30 C ATOM 522 C VAL A 36 -1.569 -0.973 -13.197 1.00 13.43 C ATOM 523 O VAL A 36 -2.451 -0.115 -13.126 1.00 4.23 O ATOM 524 CB VAL A 36 -3.235 -2.914 -13.336 1.00 23.31 C ATOM 525 CG1 VAL A 36 -3.650 -4.160 -14.124 1.00 23.32 C ATOM 526 CG2 VAL A 36 -3.293 -3.236 -11.830 1.00 73.02 C ATOM 0 H VAL A 36 -0.487 -3.255 -12.520 1.00 15.54 H new ATOM 0 HA VAL A 36 -1.916 -2.215 -14.873 1.00 44.30 H new ATOM 0 HB VAL A 36 -3.938 -2.106 -13.539 1.00 23.31 H new ATOM 0 HG11 VAL A 36 -4.616 -4.513 -13.764 1.00 23.32 H new ATOM 0 HG12 VAL A 36 -3.726 -3.912 -15.183 1.00 23.32 H new ATOM 0 HG13 VAL A 36 -2.904 -4.943 -13.987 1.00 23.32 H new ATOM 0 HG21 VAL A 36 -4.280 -3.624 -11.579 1.00 73.02 H new ATOM 0 HG22 VAL A 36 -2.537 -3.983 -11.588 1.00 73.02 H new ATOM 0 HG23 VAL A 36 -3.103 -2.329 -11.256 1.00 73.02 H new ATOM 536 N GLY A 37 -0.347 -0.749 -12.713 1.00 23.35 N ATOM 537 CA GLY A 37 -0.049 0.319 -11.781 1.00 11.44 C ATOM 538 C GLY A 37 1.431 0.665 -11.781 1.00 20.35 C ATOM 539 O GLY A 37 2.249 -0.007 -12.414 1.00 0.25 O ATOM 0 H GLY A 37 0.465 -1.313 -12.964 1.00 23.35 H new ATOM 0 HA2 GLY A 37 -0.630 1.203 -12.042 1.00 11.44 H new ATOM 0 HA3 GLY A 37 -0.354 0.023 -10.777 1.00 11.44 H new ATOM 543 N LYS A 38 1.776 1.727 -11.052 1.00 11.15 N ATOM 544 CA LYS A 38 3.126 2.252 -10.967 1.00 12.42 C ATOM 545 C LYS A 38 3.345 2.721 -9.541 1.00 55.20 C ATOM 546 O LYS A 38 2.492 3.410 -8.978 1.00 13.35 O ATOM 547 CB LYS A 38 3.268 3.424 -11.943 1.00 55.52 C ATOM 548 CG LYS A 38 4.693 3.632 -12.445 1.00 42.14 C ATOM 549 CD LYS A 38 4.591 4.649 -13.584 1.00 43.43 C ATOM 550 CE LYS A 38 5.934 5.275 -13.979 1.00 40.34 C ATOM 551 NZ LYS A 38 6.869 4.273 -14.528 1.00 64.24 N ATOM 0 H LYS A 38 1.104 2.253 -10.494 1.00 11.15 H new ATOM 0 HA LYS A 38 3.864 1.493 -11.227 1.00 12.42 H new ATOM 0 HB2 LYS A 38 2.612 3.256 -12.797 1.00 55.52 H new ATOM 0 HB3 LYS A 38 2.927 4.337 -11.454 1.00 55.52 H new ATOM 0 HG2 LYS A 38 5.338 4.001 -11.648 1.00 42.14 H new ATOM 0 HG3 LYS A 38 5.125 2.695 -12.796 1.00 42.14 H new ATOM 0 HD2 LYS A 38 4.158 4.160 -14.457 1.00 43.43 H new ATOM 0 HD3 LYS A 38 3.904 5.442 -13.289 1.00 43.43 H new ATOM 0 HE2 LYS A 38 5.766 6.058 -14.718 1.00 40.34 H new ATOM 0 HE3 LYS A 38 6.383 5.751 -13.107 1.00 40.34 H new ATOM 0 HZ1 LYS A 38 7.764 4.737 -14.783 1.00 64.24 H new ATOM 0 HZ2 LYS A 38 7.050 3.539 -13.814 1.00 64.24 H new ATOM 0 HZ3 LYS A 38 6.452 3.837 -15.375 1.00 64.24 H new ATOM 561 N VAL A 39 4.510 2.414 -8.996 1.00 12.42 N ATOM 562 CA VAL A 39 4.865 2.574 -7.595 1.00 64.32 C ATOM 563 C VAL A 39 5.967 3.630 -7.470 1.00 2.24 C ATOM 564 O VAL A 39 6.946 3.623 -8.225 1.00 4.35 O ATOM 565 CB VAL A 39 5.255 1.185 -7.063 1.00 32.21 C ATOM 566 CG1 VAL A 39 5.945 1.267 -5.703 1.00 1.22 C ATOM 567 CG2 VAL A 39 4.001 0.296 -6.987 1.00 11.14 C ATOM 0 H VAL A 39 5.275 2.026 -9.548 1.00 12.42 H new ATOM 0 HA VAL A 39 4.038 2.941 -6.987 1.00 64.32 H new ATOM 0 HB VAL A 39 5.973 0.743 -7.754 1.00 32.21 H new ATOM 0 HG11 VAL A 39 6.203 0.263 -5.365 1.00 1.22 H new ATOM 0 HG12 VAL A 39 6.852 1.865 -5.791 1.00 1.22 H new ATOM 0 HG13 VAL A 39 5.273 1.731 -4.981 1.00 1.22 H new ATOM 0 HG21 VAL A 39 4.276 -0.689 -6.610 1.00 11.14 H new ATOM 0 HG22 VAL A 39 3.272 0.751 -6.316 1.00 11.14 H new ATOM 0 HG23 VAL A 39 3.565 0.196 -7.981 1.00 11.14 H new ATOM 577 N ARG A 40 5.792 4.580 -6.551 1.00 13.34 N ATOM 578 CA ARG A 40 6.682 5.718 -6.381 1.00 53.21 C ATOM 579 C ARG A 40 7.737 5.429 -5.318 1.00 15.41 C ATOM 580 O ARG A 40 8.889 5.796 -5.533 1.00 41.23 O ATOM 581 CB ARG A 40 5.849 6.971 -6.047 1.00 35.14 C ATOM 582 CG ARG A 40 6.631 8.277 -6.235 1.00 0.22 C ATOM 583 CD ARG A 40 6.879 8.600 -7.711 1.00 60.24 C ATOM 584 NE ARG A 40 7.728 9.786 -7.861 1.00 34.14 N ATOM 585 CZ ARG A 40 8.477 10.100 -8.920 1.00 72.20 C ATOM 586 NH1 ARG A 40 8.560 9.298 -9.975 1.00 35.33 N ATOM 587 NH2 ARG A 40 9.142 11.241 -8.901 1.00 33.12 N ATOM 0 H ARG A 40 5.012 4.576 -5.894 1.00 13.34 H new ATOM 0 HA ARG A 40 7.220 5.903 -7.311 1.00 53.21 H new ATOM 0 HB2 ARG A 40 4.962 6.990 -6.680 1.00 35.14 H new ATOM 0 HB3 ARG A 40 5.503 6.906 -5.015 1.00 35.14 H new ATOM 0 HG2 ARG A 40 6.080 9.097 -5.774 1.00 0.22 H new ATOM 0 HG3 ARG A 40 7.587 8.203 -5.716 1.00 0.22 H new ATOM 0 HD2 ARG A 40 7.352 7.747 -8.198 1.00 60.24 H new ATOM 0 HD3 ARG A 40 5.926 8.766 -8.214 1.00 60.24 H new ATOM 0 HE ARG A 40 7.748 10.437 -7.076 1.00 34.14 H new ATOM 0 HH11 ARG A 40 8.044 8.418 -9.989 1.00 35.33 H new ATOM 0 HH12 ARG A 40 9.140 9.562 -10.772 1.00 35.33 H new ATOM 0 HH21 ARG A 40 9.075 11.857 -8.091 1.00 33.12 H new ATOM 0 HH22 ARG A 40 9.722 11.506 -9.697 1.00 33.12 H new ATOM 598 N ASP A 41 7.358 4.817 -4.198 1.00 41.52 N ATOM 599 CA ASP A 41 8.224 4.384 -3.099 1.00 72.02 C ATOM 600 C ASP A 41 7.373 3.465 -2.215 1.00 41.43 C ATOM 601 O ASP A 41 6.143 3.539 -2.271 1.00 2.24 O ATOM 602 CB ASP A 41 8.720 5.607 -2.300 1.00 42.41 C ATOM 603 CG ASP A 41 9.724 5.276 -1.192 1.00 23.41 C ATOM 604 OD1 ASP A 41 10.276 4.162 -1.142 1.00 64.30 O ATOM 605 OD2 ASP A 41 9.991 6.167 -0.345 1.00 53.50 O ATOM 0 H ASP A 41 6.378 4.596 -4.021 1.00 41.52 H new ATOM 0 HA ASP A 41 9.107 3.861 -3.467 1.00 72.02 H new ATOM 0 HB2 ASP A 41 9.180 6.314 -2.990 1.00 42.41 H new ATOM 0 HB3 ASP A 41 7.860 6.108 -1.856 1.00 42.41 H new ATOM 609 N VAL A 42 7.971 2.594 -1.407 1.00 61.01 N ATOM 610 CA VAL A 42 7.321 1.579 -0.617 1.00 14.34 C ATOM 611 C VAL A 42 7.887 1.590 0.801 1.00 41.33 C ATOM 612 O VAL A 42 8.950 2.183 1.030 1.00 62.22 O ATOM 613 CB VAL A 42 7.571 0.247 -1.330 1.00 20.25 C ATOM 614 CG1 VAL A 42 7.019 0.272 -2.758 1.00 40.54 C ATOM 615 CG2 VAL A 42 9.034 -0.223 -1.353 1.00 55.33 C ATOM 0 H VAL A 42 8.984 2.586 -1.286 1.00 61.01 H new ATOM 0 HA VAL A 42 6.249 1.751 -0.524 1.00 14.34 H new ATOM 0 HB VAL A 42 7.033 -0.482 -0.724 1.00 20.25 H new ATOM 0 HG11 VAL A 42 7.211 -0.687 -3.239 1.00 40.54 H new ATOM 0 HG12 VAL A 42 5.945 0.455 -2.730 1.00 40.54 H new ATOM 0 HG13 VAL A 42 7.507 1.066 -3.323 1.00 40.54 H new ATOM 0 HG21 VAL A 42 9.102 -1.174 -1.881 1.00 55.33 H new ATOM 0 HG22 VAL A 42 9.647 0.520 -1.864 1.00 55.33 H new ATOM 0 HG23 VAL A 42 9.392 -0.348 -0.331 1.00 55.33 H new ATOM 625 N ARG A 43 7.217 0.968 1.777 1.00 15.14 N ATOM 626 CA ARG A 43 7.690 0.990 3.163 1.00 13.41 C ATOM 627 C ARG A 43 7.074 -0.178 3.922 1.00 64.12 C ATOM 628 O ARG A 43 5.882 -0.420 3.772 1.00 55.22 O ATOM 629 CB ARG A 43 7.386 2.389 3.750 1.00 60.10 C ATOM 630 CG ARG A 43 6.129 2.663 4.574 1.00 73.44 C ATOM 631 CD ARG A 43 6.444 2.585 6.063 1.00 72.02 C ATOM 632 NE ARG A 43 5.402 3.223 6.883 1.00 51.30 N ATOM 633 CZ ARG A 43 5.515 3.454 8.195 1.00 35.23 C ATOM 634 NH1 ARG A 43 6.658 3.163 8.815 1.00 1.21 N ATOM 635 NH2 ARG A 43 4.501 3.956 8.884 1.00 1.12 N ATOM 0 H ARG A 43 6.352 0.447 1.634 1.00 15.14 H new ATOM 0 HA ARG A 43 8.768 0.847 3.243 1.00 13.41 H new ATOM 0 HB2 ARG A 43 8.237 2.660 4.375 1.00 60.10 H new ATOM 0 HB3 ARG A 43 7.371 3.086 2.912 1.00 60.10 H new ATOM 0 HG2 ARG A 43 5.734 3.649 4.330 1.00 73.44 H new ATOM 0 HG3 ARG A 43 5.355 1.938 4.321 1.00 73.44 H new ATOM 0 HD2 ARG A 43 6.547 1.541 6.357 1.00 72.02 H new ATOM 0 HD3 ARG A 43 7.402 3.067 6.256 1.00 72.02 H new ATOM 0 HE ARG A 43 4.538 3.507 6.421 1.00 51.30 H new ATOM 0 HH11 ARG A 43 7.437 2.768 8.289 1.00 1.21 H new ATOM 0 HH12 ARG A 43 6.754 3.336 9.816 1.00 1.21 H new ATOM 0 HH21 ARG A 43 3.622 4.171 8.414 1.00 1.12 H new ATOM 0 HH22 ARG A 43 4.600 4.128 9.885 1.00 1.12 H new ATOM 646 N MET A 44 7.837 -0.895 4.744 1.00 35.02 N ATOM 647 CA MET A 44 7.347 -2.018 5.541 1.00 14.53 C ATOM 648 C MET A 44 7.900 -1.937 6.960 1.00 74.23 C ATOM 649 O MET A 44 9.076 -1.647 7.181 1.00 23.23 O ATOM 650 CB MET A 44 7.619 -3.366 4.857 1.00 75.03 C ATOM 651 CG MET A 44 9.069 -3.608 4.416 1.00 41.42 C ATOM 652 SD MET A 44 9.435 -5.341 4.001 1.00 11.10 S ATOM 653 CE MET A 44 8.188 -5.639 2.719 1.00 35.33 C ATOM 0 H MET A 44 8.831 -0.709 4.877 1.00 35.02 H new ATOM 0 HA MET A 44 6.262 -1.948 5.616 1.00 14.53 H new ATOM 0 HB2 MET A 44 7.328 -4.164 5.540 1.00 75.03 H new ATOM 0 HB3 MET A 44 6.974 -3.445 3.982 1.00 75.03 H new ATOM 0 HG2 MET A 44 9.283 -2.984 3.548 1.00 41.42 H new ATOM 0 HG3 MET A 44 9.739 -3.286 5.213 1.00 41.42 H new ATOM 0 HE1 MET A 44 8.447 -6.539 2.162 1.00 35.33 H new ATOM 0 HE2 MET A 44 7.211 -5.769 3.185 1.00 35.33 H new ATOM 0 HE3 MET A 44 8.155 -4.788 2.038 1.00 35.33 H new ATOM 661 N ILE A 45 7.029 -2.167 7.942 1.00 40.43 N ATOM 662 CA ILE A 45 7.148 -1.552 9.267 1.00 43.22 C ATOM 663 C ILE A 45 7.779 -2.502 10.298 1.00 4.31 C ATOM 664 O ILE A 45 7.085 -3.312 10.922 1.00 40.21 O ATOM 665 CB ILE A 45 5.780 -0.989 9.728 1.00 53.21 C ATOM 666 CG1 ILE A 45 5.064 -0.180 8.626 1.00 43.30 C ATOM 667 CG2 ILE A 45 5.992 -0.076 10.946 1.00 32.00 C ATOM 668 CD1 ILE A 45 4.085 -1.030 7.802 1.00 71.33 C ATOM 0 H ILE A 45 6.222 -2.783 7.844 1.00 40.43 H new ATOM 0 HA ILE A 45 7.838 -0.712 9.187 1.00 43.22 H new ATOM 0 HB ILE A 45 5.150 -1.843 9.976 1.00 53.21 H new ATOM 0 HG12 ILE A 45 4.522 0.648 9.084 1.00 43.30 H new ATOM 0 HG13 ILE A 45 5.809 0.256 7.960 1.00 43.30 H new ATOM 0 HG21 ILE A 45 5.032 0.322 11.274 1.00 32.00 H new ATOM 0 HG22 ILE A 45 6.443 -0.649 11.756 1.00 32.00 H new ATOM 0 HG23 ILE A 45 6.652 0.747 10.673 1.00 32.00 H new ATOM 0 HD11 ILE A 45 3.612 -0.407 7.043 1.00 71.33 H new ATOM 0 HD12 ILE A 45 4.627 -1.843 7.318 1.00 71.33 H new ATOM 0 HD13 ILE A 45 3.321 -1.444 8.459 1.00 71.33 H new ATOM 679 N SER A 46 9.082 -2.352 10.540 1.00 43.45 N ATOM 680 CA SER A 46 9.846 -3.132 11.511 1.00 32.33 C ATOM 681 C SER A 46 9.884 -2.527 12.920 1.00 34.14 C ATOM 682 O SER A 46 10.531 -3.103 13.791 1.00 62.44 O ATOM 683 CB SER A 46 11.275 -3.338 10.990 1.00 31.34 C ATOM 684 OG SER A 46 11.274 -3.976 9.731 1.00 15.24 O ATOM 0 H SER A 46 9.651 -1.662 10.050 1.00 43.45 H new ATOM 0 HA SER A 46 9.327 -4.085 11.613 1.00 32.33 H new ATOM 0 HB2 SER A 46 11.778 -2.374 10.912 1.00 31.34 H new ATOM 0 HB3 SER A 46 11.842 -3.937 11.703 1.00 31.34 H new ATOM 0 HG SER A 46 12.197 -4.093 9.423 1.00 15.24 H new ATOM 689 N ASP A 47 9.162 -1.433 13.166 1.00 11.14 N ATOM 690 CA ASP A 47 9.177 -0.552 14.361 1.00 44.45 C ATOM 691 C ASP A 47 8.649 -1.183 15.655 1.00 73.02 C ATOM 692 O ASP A 47 8.172 -0.501 16.563 1.00 60.45 O ATOM 693 CB ASP A 47 8.399 0.747 14.062 1.00 21.00 C ATOM 694 CG ASP A 47 9.198 1.742 13.237 1.00 15.54 C ATOM 695 OD1 ASP A 47 9.109 1.657 11.991 1.00 32.01 O ATOM 696 OD2 ASP A 47 9.857 2.623 13.833 1.00 23.12 O ATOM 0 H ASP A 47 8.486 -1.101 12.478 1.00 11.14 H new ATOM 0 HA ASP A 47 10.231 -0.352 14.551 1.00 44.45 H new ATOM 0 HB2 ASP A 47 7.480 0.499 13.532 1.00 21.00 H new ATOM 0 HB3 ASP A 47 8.108 1.214 15.003 1.00 21.00 H new ATOM 700 N ARG A 48 8.705 -2.505 15.763 1.00 53.31 N ATOM 701 CA ARG A 48 8.095 -3.314 16.800 1.00 54.15 C ATOM 702 C ARG A 48 6.586 -3.194 16.712 1.00 60.21 C ATOM 703 O ARG A 48 5.964 -4.157 16.282 1.00 35.21 O ATOM 704 CB ARG A 48 8.682 -2.997 18.193 1.00 62.44 C ATOM 705 CG ARG A 48 9.102 -4.261 18.953 1.00 54.15 C ATOM 706 CD ARG A 48 8.330 -4.465 20.267 1.00 61.03 C ATOM 707 NE ARG A 48 8.721 -3.477 21.290 1.00 4.44 N ATOM 708 CZ ARG A 48 8.886 -3.746 22.590 1.00 20.22 C ATOM 709 NH1 ARG A 48 8.349 -4.833 23.127 1.00 61.44 N ATOM 710 NH2 ARG A 48 9.600 -2.926 23.347 1.00 55.45 N ATOM 0 H ARG A 48 9.211 -3.072 15.083 1.00 53.31 H new ATOM 0 HA ARG A 48 8.337 -4.365 16.640 1.00 54.15 H new ATOM 0 HB2 ARG A 48 9.545 -2.341 18.080 1.00 62.44 H new ATOM 0 HB3 ARG A 48 7.943 -2.452 18.780 1.00 62.44 H new ATOM 0 HG2 ARG A 48 8.950 -5.129 18.312 1.00 54.15 H new ATOM 0 HG3 ARG A 48 10.169 -4.208 19.171 1.00 54.15 H new ATOM 0 HD2 ARG A 48 7.260 -4.386 20.076 1.00 61.03 H new ATOM 0 HD3 ARG A 48 8.513 -5.471 20.644 1.00 61.03 H new ATOM 0 HE ARG A 48 8.877 -2.517 20.983 1.00 4.44 H new ATOM 0 HH11 ARG A 48 7.805 -5.472 22.548 1.00 61.44 H new ATOM 0 HH12 ARG A 48 8.480 -5.030 24.119 1.00 61.44 H new ATOM 0 HH21 ARG A 48 10.022 -2.092 22.938 1.00 55.45 H new ATOM 0 HH22 ARG A 48 9.728 -3.128 24.339 1.00 55.45 H new ATOM 721 N ASN A 49 5.983 -2.065 17.103 1.00 41.23 N ATOM 722 CA ASN A 49 4.539 -1.786 17.092 1.00 13.51 C ATOM 723 C ASN A 49 3.679 -2.913 17.693 1.00 44.21 C ATOM 724 O ASN A 49 2.472 -2.998 17.484 1.00 34.23 O ATOM 725 CB ASN A 49 4.080 -1.309 15.709 1.00 73.02 C ATOM 726 CG ASN A 49 4.424 -2.236 14.552 1.00 75.44 C ATOM 727 OD1 ASN A 49 3.727 -3.204 14.283 1.00 31.22 O ATOM 728 ND2 ASN A 49 5.515 -1.982 13.849 1.00 40.21 N ATOM 0 H ASN A 49 6.521 -1.274 17.457 1.00 41.23 H new ATOM 0 HA ASN A 49 4.370 -0.956 17.778 1.00 13.51 H new ATOM 0 HB2 ASN A 49 2.999 -1.169 15.732 1.00 73.02 H new ATOM 0 HB3 ASN A 49 4.524 -0.333 15.514 1.00 73.02 H new ATOM 0 HD21 ASN A 49 5.779 -2.595 13.078 1.00 40.21 H new ATOM 0 HD22 ASN A 49 6.092 -1.173 14.078 1.00 40.21 H new ATOM 734 N SER A 50 4.330 -3.774 18.471 1.00 40.24 N ATOM 735 CA SER A 50 3.888 -5.042 19.030 1.00 32.42 C ATOM 736 C SER A 50 3.139 -5.946 18.030 1.00 72.34 C ATOM 737 O SER A 50 2.304 -6.771 18.413 1.00 40.13 O ATOM 738 CB SER A 50 3.145 -4.770 20.335 1.00 40.43 C ATOM 739 OG SER A 50 3.342 -5.865 21.209 1.00 60.22 O ATOM 0 H SER A 50 5.289 -3.573 18.755 1.00 40.24 H new ATOM 0 HA SER A 50 4.763 -5.649 19.262 1.00 32.42 H new ATOM 0 HB2 SER A 50 3.511 -3.851 20.793 1.00 40.43 H new ATOM 0 HB3 SER A 50 2.082 -4.628 20.141 1.00 40.43 H new ATOM 0 HG SER A 50 2.870 -5.700 22.052 1.00 60.22 H new ATOM 744 N ARG A 51 3.450 -5.816 16.740 1.00 41.52 N ATOM 745 CA ARG A 51 2.801 -6.505 15.631 1.00 35.22 C ATOM 746 C ARG A 51 3.863 -6.845 14.604 1.00 72.43 C ATOM 747 O ARG A 51 3.900 -7.990 14.162 1.00 44.11 O ATOM 748 CB ARG A 51 1.683 -5.612 15.060 1.00 20.22 C ATOM 749 CG ARG A 51 0.352 -5.875 15.773 1.00 2.51 C ATOM 750 CD ARG A 51 -0.469 -4.603 16.050 1.00 2.10 C ATOM 751 NE ARG A 51 -1.569 -4.866 17.002 1.00 4.13 N ATOM 752 CZ ARG A 51 -2.490 -5.834 16.904 1.00 52.52 C ATOM 753 NH1 ARG A 51 -2.696 -6.467 15.756 1.00 74.33 N ATOM 754 NH2 ARG A 51 -3.200 -6.185 17.965 1.00 14.32 N ATOM 0 H ARG A 51 4.198 -5.197 16.428 1.00 41.52 H new ATOM 0 HA ARG A 51 2.330 -7.434 15.953 1.00 35.22 H new ATOM 0 HB2 ARG A 51 1.958 -4.563 15.171 1.00 20.22 H new ATOM 0 HB3 ARG A 51 1.571 -5.801 13.992 1.00 20.22 H new ATOM 0 HG2 ARG A 51 -0.245 -6.556 15.167 1.00 2.51 H new ATOM 0 HG3 ARG A 51 0.551 -6.380 16.718 1.00 2.51 H new ATOM 0 HD2 ARG A 51 0.183 -3.828 16.451 1.00 2.10 H new ATOM 0 HD3 ARG A 51 -0.879 -4.222 15.115 1.00 2.10 H new ATOM 0 HE ARG A 51 -1.633 -4.250 17.813 1.00 4.13 H new ATOM 0 HH11 ARG A 51 -2.149 -6.219 14.931 1.00 74.33 H new ATOM 0 HH12 ARG A 51 -3.401 -7.202 15.698 1.00 74.33 H new ATOM 0 HH21 ARG A 51 -3.046 -5.718 18.859 1.00 14.32 H new ATOM 0 HH22 ARG A 51 -3.901 -6.922 17.889 1.00 14.32 H new ATOM 765 N ARG A 52 4.822 -5.937 14.375 1.00 24.24 N ATOM 766 CA ARG A 52 5.982 -6.111 13.504 1.00 51.11 C ATOM 767 C ARG A 52 5.477 -6.275 12.076 1.00 75.11 C ATOM 768 O ARG A 52 4.280 -6.137 11.814 1.00 72.24 O ATOM 769 CB ARG A 52 6.867 -7.296 13.960 1.00 62.02 C ATOM 770 CG ARG A 52 7.606 -7.148 15.291 1.00 72.11 C ATOM 771 CD ARG A 52 6.749 -7.241 16.562 1.00 20.11 C ATOM 772 NE ARG A 52 6.099 -8.551 16.748 1.00 42.34 N ATOM 773 CZ ARG A 52 6.613 -9.559 17.457 1.00 35.41 C ATOM 774 NH1 ARG A 52 7.894 -9.551 17.805 1.00 44.52 N ATOM 775 NH2 ARG A 52 5.855 -10.571 17.853 1.00 52.42 N ATOM 0 H ARG A 52 4.804 -5.018 14.816 1.00 24.24 H new ATOM 0 HA ARG A 52 6.626 -5.233 13.558 1.00 51.11 H new ATOM 0 HB2 ARG A 52 6.237 -8.184 14.021 1.00 62.02 H new ATOM 0 HB3 ARG A 52 7.607 -7.483 13.182 1.00 62.02 H new ATOM 0 HG2 ARG A 52 8.376 -7.917 15.341 1.00 72.11 H new ATOM 0 HG3 ARG A 52 8.117 -6.185 15.293 1.00 72.11 H new ATOM 0 HD2 ARG A 52 7.377 -7.031 17.428 1.00 20.11 H new ATOM 0 HD3 ARG A 52 5.982 -6.467 16.529 1.00 20.11 H new ATOM 0 HE ARG A 52 5.193 -8.698 16.304 1.00 42.34 H new ATOM 0 HH11 ARG A 52 8.492 -8.772 17.531 1.00 44.52 H new ATOM 0 HH12 ARG A 52 8.280 -10.324 18.347 1.00 44.52 H new ATOM 0 HH21 ARG A 52 4.863 -10.588 17.617 1.00 52.42 H new ATOM 0 HH22 ARG A 52 6.264 -11.333 18.394 1.00 52.42 H new ATOM 786 N SER A 53 6.360 -6.579 11.129 1.00 43.23 N ATOM 787 CA SER A 53 5.948 -6.956 9.792 1.00 33.43 C ATOM 788 C SER A 53 5.357 -8.380 9.825 1.00 15.43 C ATOM 789 O SER A 53 5.896 -9.316 9.238 1.00 15.53 O ATOM 790 CB SER A 53 7.124 -6.750 8.838 1.00 54.21 C ATOM 791 OG SER A 53 8.163 -7.665 9.123 1.00 44.34 O ATOM 0 H SER A 53 7.370 -6.570 11.270 1.00 43.23 H new ATOM 0 HA SER A 53 5.146 -6.324 9.410 1.00 33.43 H new ATOM 0 HB2 SER A 53 6.791 -6.879 7.808 1.00 54.21 H new ATOM 0 HB3 SER A 53 7.497 -5.729 8.927 1.00 54.21 H new ATOM 0 HG SER A 53 7.788 -8.565 9.221 1.00 44.34 H new ATOM 796 N LYS A 54 4.241 -8.561 10.538 1.00 43.34 N ATOM 797 CA LYS A 54 3.381 -9.737 10.438 1.00 11.34 C ATOM 798 C LYS A 54 2.657 -9.812 9.096 1.00 61.34 C ATOM 799 O LYS A 54 2.070 -10.845 8.791 1.00 21.21 O ATOM 800 CB LYS A 54 2.416 -9.848 11.633 1.00 43.11 C ATOM 801 CG LYS A 54 1.572 -8.581 11.743 1.00 60.22 C ATOM 802 CD LYS A 54 0.056 -8.797 11.779 1.00 11.14 C ATOM 803 CE LYS A 54 -0.478 -9.187 10.396 1.00 55.14 C ATOM 804 NZ LYS A 54 -1.952 -9.172 10.351 1.00 40.15 N ATOM 0 H LYS A 54 3.906 -7.876 11.215 1.00 43.34 H new ATOM 0 HA LYS A 54 4.034 -10.609 10.482 1.00 11.34 H new ATOM 0 HB2 LYS A 54 1.769 -10.716 11.509 1.00 43.11 H new ATOM 0 HB3 LYS A 54 2.980 -10.000 12.553 1.00 43.11 H new ATOM 0 HG2 LYS A 54 1.866 -8.047 12.646 1.00 60.22 H new ATOM 0 HG3 LYS A 54 1.809 -7.934 10.899 1.00 60.22 H new ATOM 0 HD2 LYS A 54 -0.186 -9.578 12.500 1.00 11.14 H new ATOM 0 HD3 LYS A 54 -0.436 -7.886 12.119 1.00 11.14 H new ATOM 0 HE2 LYS A 54 -0.085 -8.499 9.648 1.00 55.14 H new ATOM 0 HE3 LYS A 54 -0.117 -10.182 10.135 1.00 55.14 H new ATOM 0 HZ1 LYS A 54 -2.273 -9.441 9.399 1.00 40.15 H new ATOM 0 HZ2 LYS A 54 -2.327 -9.847 11.047 1.00 40.15 H new ATOM 0 HZ3 LYS A 54 -2.296 -8.217 10.575 1.00 40.15 H new ATOM 814 N GLY A 55 2.676 -8.727 8.326 1.00 15.50 N ATOM 815 CA GLY A 55 1.974 -8.597 7.066 1.00 73.32 C ATOM 816 C GLY A 55 1.414 -7.191 6.914 1.00 73.23 C ATOM 817 O GLY A 55 0.192 -7.027 6.906 1.00 44.55 O ATOM 0 H GLY A 55 3.201 -7.889 8.577 1.00 15.50 H new ATOM 0 HA2 GLY A 55 2.651 -8.817 6.241 1.00 73.32 H new ATOM 0 HA3 GLY A 55 1.164 -9.325 7.017 1.00 73.32 H new ATOM 821 N ILE A 56 2.297 -6.187 6.874 1.00 3.33 N ATOM 822 CA ILE A 56 1.981 -4.761 6.821 1.00 53.35 C ATOM 823 C ILE A 56 3.042 -4.020 5.989 1.00 1.14 C ATOM 824 O ILE A 56 4.247 -4.188 6.214 1.00 32.04 O ATOM 825 CB ILE A 56 1.857 -4.156 8.243 1.00 75.32 C ATOM 826 CG1 ILE A 56 3.052 -4.492 9.162 1.00 34.04 C ATOM 827 CG2 ILE A 56 0.536 -4.591 8.904 1.00 35.11 C ATOM 828 CD1 ILE A 56 3.078 -3.675 10.454 1.00 60.43 C ATOM 0 H ILE A 56 3.302 -6.359 6.878 1.00 3.33 H new ATOM 0 HA ILE A 56 1.012 -4.639 6.337 1.00 53.35 H new ATOM 0 HB ILE A 56 1.862 -3.074 8.113 1.00 75.32 H new ATOM 0 HG12 ILE A 56 3.020 -5.552 9.413 1.00 34.04 H new ATOM 0 HG13 ILE A 56 3.979 -4.322 8.615 1.00 34.04 H new ATOM 0 HG21 ILE A 56 0.468 -4.156 9.901 1.00 35.11 H new ATOM 0 HG22 ILE A 56 -0.304 -4.247 8.300 1.00 35.11 H new ATOM 0 HG23 ILE A 56 0.508 -5.678 8.979 1.00 35.11 H new ATOM 0 HD11 ILE A 56 3.944 -3.964 11.050 1.00 60.43 H new ATOM 0 HD12 ILE A 56 3.141 -2.614 10.212 1.00 60.43 H new ATOM 0 HD13 ILE A 56 2.167 -3.864 11.022 1.00 60.43 H new ATOM 839 N ALA A 57 2.604 -3.182 5.050 1.00 61.32 N ATOM 840 CA ALA A 57 3.435 -2.288 4.251 1.00 31.22 C ATOM 841 C ALA A 57 2.563 -1.120 3.757 1.00 2.45 C ATOM 842 O ALA A 57 1.336 -1.227 3.822 1.00 20.21 O ATOM 843 CB ALA A 57 3.997 -3.061 3.048 1.00 51.12 C ATOM 0 H ALA A 57 1.614 -3.106 4.816 1.00 61.32 H new ATOM 0 HA ALA A 57 4.262 -1.905 4.848 1.00 31.22 H new ATOM 0 HB1 ALA A 57 4.619 -2.397 2.447 1.00 51.12 H new ATOM 0 HB2 ALA A 57 4.597 -3.899 3.402 1.00 51.12 H new ATOM 0 HB3 ALA A 57 3.174 -3.436 2.440 1.00 51.12 H new ATOM 849 N TYR A 58 3.157 -0.036 3.257 1.00 64.12 N ATOM 850 CA TYR A 58 2.484 1.011 2.494 1.00 2.13 C ATOM 851 C TYR A 58 3.227 1.122 1.165 1.00 20.31 C ATOM 852 O TYR A 58 4.448 0.944 1.120 1.00 22.25 O ATOM 853 CB TYR A 58 2.532 2.344 3.252 1.00 34.03 C ATOM 854 CG TYR A 58 1.989 2.318 4.671 1.00 13.14 C ATOM 855 CD1 TYR A 58 2.753 1.770 5.715 1.00 2.35 C ATOM 856 CD2 TYR A 58 0.736 2.879 4.963 1.00 23.13 C ATOM 857 CE1 TYR A 58 2.286 1.804 7.035 1.00 71.10 C ATOM 858 CE2 TYR A 58 0.255 2.905 6.287 1.00 4.41 C ATOM 859 CZ TYR A 58 1.040 2.383 7.338 1.00 72.40 C ATOM 860 OH TYR A 58 0.627 2.430 8.637 1.00 2.52 O ATOM 0 H TYR A 58 4.154 0.142 3.377 1.00 64.12 H new ATOM 0 HA TYR A 58 1.433 0.770 2.337 1.00 2.13 H new ATOM 0 HB2 TYR A 58 3.567 2.684 3.285 1.00 34.03 H new ATOM 0 HB3 TYR A 58 1.971 3.085 2.682 1.00 34.03 H new ATOM 0 HD1 TYR A 58 3.710 1.318 5.498 1.00 2.35 H new ATOM 0 HD2 TYR A 58 0.136 3.294 4.167 1.00 23.13 H new ATOM 0 HE1 TYR A 58 2.887 1.382 7.827 1.00 71.10 H new ATOM 0 HE2 TYR A 58 -0.717 3.325 6.499 1.00 4.41 H new ATOM 0 HH TYR A 58 -0.252 2.860 8.685 1.00 2.52 H new ATOM 869 N VAL A 59 2.510 1.428 0.090 1.00 0.14 N ATOM 870 CA VAL A 59 3.035 1.597 -1.259 1.00 15.13 C ATOM 871 C VAL A 59 2.477 2.914 -1.780 1.00 42.52 C ATOM 872 O VAL A 59 1.261 3.061 -1.908 1.00 35.32 O ATOM 873 CB VAL A 59 2.694 0.342 -2.101 1.00 21.25 C ATOM 874 CG1 VAL A 59 2.859 0.566 -3.606 1.00 74.34 C ATOM 875 CG2 VAL A 59 3.599 -0.858 -1.743 1.00 75.14 C ATOM 0 H VAL A 59 1.501 1.571 0.138 1.00 0.14 H new ATOM 0 HA VAL A 59 4.122 1.667 -1.305 1.00 15.13 H new ATOM 0 HB VAL A 59 1.650 0.137 -1.863 1.00 21.25 H new ATOM 0 HG11 VAL A 59 2.605 -0.350 -4.140 1.00 74.34 H new ATOM 0 HG12 VAL A 59 2.197 1.370 -3.929 1.00 74.34 H new ATOM 0 HG13 VAL A 59 3.892 0.838 -3.822 1.00 74.34 H new ATOM 0 HG21 VAL A 59 3.325 -1.716 -2.357 1.00 75.14 H new ATOM 0 HG22 VAL A 59 4.641 -0.596 -1.929 1.00 75.14 H new ATOM 0 HG23 VAL A 59 3.470 -1.109 -0.690 1.00 75.14 H new ATOM 885 N GLU A 60 3.353 3.896 -2.000 1.00 74.23 N ATOM 886 CA GLU A 60 3.002 5.131 -2.675 1.00 72.04 C ATOM 887 C GLU A 60 2.806 4.795 -4.154 1.00 21.22 C ATOM 888 O GLU A 60 3.692 4.196 -4.772 1.00 13.33 O ATOM 889 CB GLU A 60 4.099 6.204 -2.546 1.00 22.11 C ATOM 890 CG GLU A 60 4.515 6.596 -1.120 1.00 33.45 C ATOM 891 CD GLU A 60 4.879 8.084 -1.040 1.00 41.32 C ATOM 892 OE1 GLU A 60 5.900 8.534 -1.620 1.00 33.44 O ATOM 893 OE2 GLU A 60 4.112 8.872 -0.442 1.00 55.33 O ATOM 0 H GLU A 60 4.330 3.849 -1.710 1.00 74.23 H new ATOM 0 HA GLU A 60 2.100 5.540 -2.219 1.00 72.04 H new ATOM 0 HB2 GLU A 60 4.985 5.851 -3.074 1.00 22.11 H new ATOM 0 HB3 GLU A 60 3.759 7.103 -3.061 1.00 22.11 H new ATOM 0 HG2 GLU A 60 3.701 6.380 -0.428 1.00 33.45 H new ATOM 0 HG3 GLU A 60 5.367 5.993 -0.808 1.00 33.45 H new ATOM 898 N PHE A 61 1.682 5.184 -4.746 1.00 12.55 N ATOM 899 CA PHE A 61 1.504 5.120 -6.189 1.00 42.40 C ATOM 900 C PHE A 61 2.114 6.347 -6.861 1.00 64.11 C ATOM 901 O PHE A 61 2.198 7.430 -6.275 1.00 53.41 O ATOM 902 CB PHE A 61 0.016 5.016 -6.532 1.00 52.31 C ATOM 903 CG PHE A 61 -0.403 3.608 -6.874 1.00 44.44 C ATOM 904 CD1 PHE A 61 -0.694 2.694 -5.849 1.00 2.54 C ATOM 905 CD2 PHE A 61 -0.472 3.210 -8.223 1.00 62.14 C ATOM 906 CE1 PHE A 61 -1.100 1.390 -6.174 1.00 33.15 C ATOM 907 CE2 PHE A 61 -0.903 1.912 -8.542 1.00 44.21 C ATOM 908 CZ PHE A 61 -1.227 1.005 -7.519 1.00 44.50 C ATOM 0 H PHE A 61 0.875 5.550 -4.242 1.00 12.55 H new ATOM 0 HA PHE A 61 2.016 4.233 -6.561 1.00 42.40 H new ATOM 0 HB2 PHE A 61 -0.574 5.372 -5.687 1.00 52.31 H new ATOM 0 HB3 PHE A 61 -0.206 5.672 -7.374 1.00 52.31 H new ATOM 0 HD1 PHE A 61 -0.606 2.993 -4.815 1.00 2.54 H new ATOM 0 HD2 PHE A 61 -0.195 3.899 -9.007 1.00 62.14 H new ATOM 0 HE1 PHE A 61 -1.315 0.681 -5.388 1.00 33.15 H new ATOM 0 HE2 PHE A 61 -0.986 1.610 -9.576 1.00 44.21 H new ATOM 0 HZ PHE A 61 -1.573 0.012 -7.767 1.00 44.50 H new ATOM 917 N VAL A 62 2.480 6.208 -8.137 1.00 72.33 N ATOM 918 CA VAL A 62 2.893 7.352 -8.942 1.00 33.13 C ATOM 919 C VAL A 62 1.674 8.213 -9.304 1.00 72.11 C ATOM 920 O VAL A 62 1.848 9.425 -9.467 1.00 21.23 O ATOM 921 CB VAL A 62 3.697 6.897 -10.179 1.00 54.33 C ATOM 922 CG1 VAL A 62 4.223 8.074 -11.000 1.00 60.43 C ATOM 923 CG2 VAL A 62 4.906 6.038 -9.791 1.00 63.23 C ATOM 0 H VAL A 62 2.498 5.316 -8.631 1.00 72.33 H new ATOM 0 HA VAL A 62 3.565 7.979 -8.356 1.00 33.13 H new ATOM 0 HB VAL A 62 2.992 6.316 -10.774 1.00 54.33 H new ATOM 0 HG11 VAL A 62 4.781 7.699 -11.858 1.00 60.43 H new ATOM 0 HG12 VAL A 62 3.385 8.678 -11.348 1.00 60.43 H new ATOM 0 HG13 VAL A 62 4.879 8.686 -10.380 1.00 60.43 H new ATOM 0 HG21 VAL A 62 5.444 5.739 -10.691 1.00 63.23 H new ATOM 0 HG22 VAL A 62 5.570 6.614 -9.146 1.00 63.23 H new ATOM 0 HG23 VAL A 62 4.565 5.149 -9.260 1.00 63.23 H new ATOM 933 N ASP A 63 0.456 7.658 -9.383 1.00 15.23 N ATOM 934 CA ASP A 63 -0.751 8.395 -9.761 1.00 43.53 C ATOM 935 C ASP A 63 -1.880 8.184 -8.768 1.00 54.40 C ATOM 936 O ASP A 63 -2.002 7.106 -8.194 1.00 33.45 O ATOM 937 CB ASP A 63 -1.287 7.962 -11.128 1.00 24.12 C ATOM 938 CG ASP A 63 -2.367 8.952 -11.572 1.00 13.32 C ATOM 939 OD1 ASP A 63 -2.095 10.175 -11.479 1.00 60.13 O ATOM 940 OD2 ASP A 63 -3.471 8.527 -11.966 1.00 42.30 O ATOM 0 H ASP A 63 0.283 6.673 -9.183 1.00 15.23 H new ATOM 0 HA ASP A 63 -0.447 9.441 -9.783 1.00 43.53 H new ATOM 0 HB2 ASP A 63 -0.478 7.933 -11.858 1.00 24.12 H new ATOM 0 HB3 ASP A 63 -1.700 6.955 -11.070 1.00 24.12 H new ATOM 944 N VAL A 64 -2.750 9.181 -8.626 1.00 61.22 N ATOM 945 CA VAL A 64 -3.909 9.076 -7.758 1.00 14.21 C ATOM 946 C VAL A 64 -4.962 8.112 -8.326 1.00 34.35 C ATOM 947 O VAL A 64 -5.595 7.414 -7.532 1.00 20.02 O ATOM 948 CB VAL A 64 -4.440 10.489 -7.428 1.00 13.14 C ATOM 949 CG1 VAL A 64 -5.100 11.198 -8.623 1.00 75.14 C ATOM 950 CG2 VAL A 64 -5.390 10.477 -6.225 1.00 63.04 C ATOM 0 H VAL A 64 -2.668 10.076 -9.108 1.00 61.22 H new ATOM 0 HA VAL A 64 -3.619 8.624 -6.810 1.00 14.21 H new ATOM 0 HB VAL A 64 -3.554 11.069 -7.170 1.00 13.14 H new ATOM 0 HG11 VAL A 64 -5.448 12.184 -8.314 1.00 75.14 H new ATOM 0 HG12 VAL A 64 -4.374 11.305 -9.429 1.00 75.14 H new ATOM 0 HG13 VAL A 64 -5.947 10.608 -8.974 1.00 75.14 H new ATOM 0 HG21 VAL A 64 -5.740 11.490 -6.027 1.00 63.04 H new ATOM 0 HG22 VAL A 64 -6.243 9.834 -6.442 1.00 63.04 H new ATOM 0 HG23 VAL A 64 -4.863 10.098 -5.349 1.00 63.04 H new ATOM 960 N SER A 65 -5.170 8.003 -9.651 1.00 53.53 N ATOM 961 CA SER A 65 -6.321 7.223 -10.132 1.00 73.10 C ATOM 962 C SER A 65 -6.149 5.724 -9.894 1.00 40.14 C ATOM 963 O SER A 65 -7.142 4.999 -9.822 1.00 74.34 O ATOM 964 CB SER A 65 -6.650 7.514 -11.602 1.00 71.00 C ATOM 965 OG SER A 65 -7.326 8.755 -11.749 1.00 33.33 O ATOM 0 H SER A 65 -4.587 8.423 -10.375 1.00 53.53 H new ATOM 0 HA SER A 65 -7.173 7.551 -9.537 1.00 73.10 H new ATOM 0 HB2 SER A 65 -5.730 7.529 -12.186 1.00 71.00 H new ATOM 0 HB3 SER A 65 -7.269 6.712 -12.003 1.00 71.00 H new ATOM 0 HG SER A 65 -7.520 8.912 -12.697 1.00 33.33 H new ATOM 970 N SER A 66 -4.912 5.269 -9.711 1.00 20.22 N ATOM 971 CA SER A 66 -4.589 3.872 -9.502 1.00 44.24 C ATOM 972 C SER A 66 -4.602 3.482 -8.012 1.00 42.32 C ATOM 973 O SER A 66 -4.467 2.300 -7.707 1.00 73.41 O ATOM 974 CB SER A 66 -3.236 3.613 -10.166 1.00 60.22 C ATOM 975 OG SER A 66 -3.178 4.191 -11.466 1.00 75.13 O ATOM 0 H SER A 66 -4.094 5.879 -9.705 1.00 20.22 H new ATOM 0 HA SER A 66 -5.352 3.240 -9.956 1.00 44.24 H new ATOM 0 HB2 SER A 66 -2.440 4.026 -9.547 1.00 60.22 H new ATOM 0 HB3 SER A 66 -3.062 2.539 -10.235 1.00 60.22 H new ATOM 0 HG SER A 66 -2.301 4.011 -11.865 1.00 75.13 H new ATOM 980 N VAL A 67 -4.806 4.423 -7.082 1.00 32.12 N ATOM 981 CA VAL A 67 -4.978 4.128 -5.656 1.00 3.53 C ATOM 982 C VAL A 67 -6.179 3.179 -5.460 1.00 3.11 C ATOM 983 O VAL A 67 -5.974 2.044 -5.015 1.00 64.41 O ATOM 984 CB VAL A 67 -5.042 5.446 -4.845 1.00 51.34 C ATOM 985 CG1 VAL A 67 -5.417 5.248 -3.372 1.00 11.43 C ATOM 986 CG2 VAL A 67 -3.689 6.173 -4.897 1.00 71.30 C ATOM 0 H VAL A 67 -4.857 5.418 -7.301 1.00 32.12 H new ATOM 0 HA VAL A 67 -4.116 3.591 -5.261 1.00 3.53 H new ATOM 0 HB VAL A 67 -5.829 6.036 -5.314 1.00 51.34 H new ATOM 0 HG11 VAL A 67 -5.442 6.215 -2.870 1.00 11.43 H new ATOM 0 HG12 VAL A 67 -6.399 4.780 -3.306 1.00 11.43 H new ATOM 0 HG13 VAL A 67 -4.677 4.608 -2.891 1.00 11.43 H new ATOM 0 HG21 VAL A 67 -3.750 7.097 -4.322 1.00 71.30 H new ATOM 0 HG22 VAL A 67 -2.915 5.533 -4.473 1.00 71.30 H new ATOM 0 HG23 VAL A 67 -3.440 6.405 -5.933 1.00 71.30 H new ATOM 996 N PRO A 68 -7.423 3.546 -5.839 1.00 52.54 N ATOM 997 CA PRO A 68 -8.557 2.651 -5.664 1.00 35.24 C ATOM 998 C PRO A 68 -8.488 1.398 -6.552 1.00 2.22 C ATOM 999 O PRO A 68 -9.178 0.417 -6.270 1.00 23.01 O ATOM 1000 CB PRO A 68 -9.809 3.490 -5.902 1.00 11.52 C ATOM 1001 CG PRO A 68 -9.318 4.612 -6.809 1.00 40.33 C ATOM 1002 CD PRO A 68 -7.891 4.839 -6.320 1.00 35.02 C ATOM 0 HA PRO A 68 -8.561 2.238 -4.655 1.00 35.24 H new ATOM 0 HB2 PRO A 68 -10.599 2.907 -6.376 1.00 11.52 H new ATOM 0 HB3 PRO A 68 -10.216 3.878 -4.968 1.00 11.52 H new ATOM 0 HG2 PRO A 68 -9.345 4.324 -7.860 1.00 40.33 H new ATOM 0 HG3 PRO A 68 -9.928 5.510 -6.709 1.00 40.33 H new ATOM 0 HD2 PRO A 68 -7.256 5.209 -7.125 1.00 35.02 H new ATOM 0 HD3 PRO A 68 -7.864 5.584 -5.525 1.00 35.02 H new ATOM 1007 N LEU A 69 -7.639 1.358 -7.586 1.00 61.14 N ATOM 1008 CA LEU A 69 -7.391 0.139 -8.352 1.00 74.34 C ATOM 1009 C LEU A 69 -6.823 -0.940 -7.448 1.00 24.01 C ATOM 1010 O LEU A 69 -7.390 -2.024 -7.356 1.00 55.41 O ATOM 1011 CB LEU A 69 -6.424 0.419 -9.498 1.00 74.44 C ATOM 1012 CG LEU A 69 -6.245 -0.754 -10.475 1.00 14.13 C ATOM 1013 CD1 LEU A 69 -7.533 -1.470 -10.901 1.00 74.44 C ATOM 1014 CD2 LEU A 69 -5.520 -0.196 -11.699 1.00 1.34 C ATOM 0 H LEU A 69 -7.109 2.167 -7.911 1.00 61.14 H new ATOM 0 HA LEU A 69 -8.337 -0.208 -8.768 1.00 74.34 H new ATOM 0 HB2 LEU A 69 -6.778 1.288 -10.053 1.00 74.44 H new ATOM 0 HB3 LEU A 69 -5.451 0.681 -9.081 1.00 74.44 H new ATOM 0 HG LEU A 69 -5.681 -1.529 -9.956 1.00 14.13 H new ATOM 0 HD11 LEU A 69 -7.289 -2.279 -11.590 1.00 74.44 H new ATOM 0 HD12 LEU A 69 -8.030 -1.880 -10.021 1.00 74.44 H new ATOM 0 HD13 LEU A 69 -8.197 -0.761 -11.395 1.00 74.44 H new ATOM 0 HD21 LEU A 69 -5.368 -0.993 -12.427 1.00 1.34 H new ATOM 0 HD22 LEU A 69 -6.120 0.595 -12.148 1.00 1.34 H new ATOM 0 HD23 LEU A 69 -4.554 0.208 -11.397 1.00 1.34 H new ATOM 1025 N ALA A 70 -5.724 -0.621 -6.768 1.00 71.31 N ATOM 1026 CA ALA A 70 -5.074 -1.528 -5.828 1.00 55.23 C ATOM 1027 C ALA A 70 -6.043 -1.980 -4.733 1.00 0.53 C ATOM 1028 O ALA A 70 -6.078 -3.166 -4.396 1.00 62.22 O ATOM 1029 CB ALA A 70 -3.844 -0.845 -5.231 1.00 54.13 C ATOM 0 H ALA A 70 -5.257 0.281 -6.855 1.00 71.31 H new ATOM 0 HA ALA A 70 -4.757 -2.423 -6.363 1.00 55.23 H new ATOM 0 HB1 ALA A 70 -3.357 -1.521 -4.528 1.00 54.13 H new ATOM 0 HB2 ALA A 70 -3.147 -0.588 -6.029 1.00 54.13 H new ATOM 0 HB3 ALA A 70 -4.149 0.062 -4.709 1.00 54.13 H new ATOM 1035 N ILE A 71 -6.862 -1.062 -4.212 1.00 21.31 N ATOM 1036 CA ILE A 71 -7.915 -1.363 -3.240 1.00 63.32 C ATOM 1037 C ILE A 71 -8.891 -2.393 -3.814 1.00 24.13 C ATOM 1038 O ILE A 71 -9.297 -3.317 -3.098 1.00 61.24 O ATOM 1039 CB ILE A 71 -8.572 -0.052 -2.766 1.00 32.14 C ATOM 1040 CG1 ILE A 71 -7.588 0.687 -1.829 1.00 0.54 C ATOM 1041 CG2 ILE A 71 -9.908 -0.274 -2.047 1.00 72.31 C ATOM 1042 CD1 ILE A 71 -7.902 2.176 -1.669 1.00 72.13 C ATOM 0 H ILE A 71 -6.811 -0.073 -4.458 1.00 21.31 H new ATOM 0 HA ILE A 71 -7.495 -1.830 -2.349 1.00 63.32 H new ATOM 0 HB ILE A 71 -8.793 0.545 -3.651 1.00 32.14 H new ATOM 0 HG12 ILE A 71 -7.606 0.212 -0.848 1.00 0.54 H new ATOM 0 HG13 ILE A 71 -6.576 0.577 -2.218 1.00 0.54 H new ATOM 0 HG21 ILE A 71 -10.319 0.687 -1.738 1.00 72.31 H new ATOM 0 HG22 ILE A 71 -10.607 -0.768 -2.722 1.00 72.31 H new ATOM 0 HG23 ILE A 71 -9.749 -0.899 -1.169 1.00 72.31 H new ATOM 0 HD11 ILE A 71 -7.173 2.632 -0.999 1.00 72.13 H new ATOM 0 HD12 ILE A 71 -7.855 2.664 -2.642 1.00 72.13 H new ATOM 0 HD13 ILE A 71 -8.902 2.294 -1.251 1.00 72.13 H new ATOM 1053 N GLY A 72 -9.215 -2.290 -5.102 1.00 41.12 N ATOM 1054 CA GLY A 72 -10.084 -3.214 -5.806 1.00 74.31 C ATOM 1055 C GLY A 72 -9.613 -4.663 -5.710 1.00 14.23 C ATOM 1056 O GLY A 72 -10.433 -5.574 -5.591 1.00 55.11 O ATOM 0 H GLY A 72 -8.867 -1.537 -5.696 1.00 41.12 H new ATOM 0 HA2 GLY A 72 -11.093 -3.137 -5.400 1.00 74.31 H new ATOM 0 HA3 GLY A 72 -10.140 -2.924 -6.855 1.00 74.31 H new ATOM 1060 N LEU A 73 -8.298 -4.886 -5.720 1.00 72.12 N ATOM 1061 CA LEU A 73 -7.681 -6.209 -5.817 1.00 42.13 C ATOM 1062 C LEU A 73 -7.706 -6.991 -4.495 1.00 31.24 C ATOM 1063 O LEU A 73 -7.032 -8.012 -4.391 1.00 64.11 O ATOM 1064 CB LEU A 73 -6.240 -6.091 -6.351 1.00 11.34 C ATOM 1065 CG LEU A 73 -6.055 -5.251 -7.629 1.00 44.20 C ATOM 1066 CD1 LEU A 73 -4.616 -5.375 -8.129 1.00 43.21 C ATOM 1067 CD2 LEU A 73 -7.014 -5.643 -8.761 1.00 23.34 C ATOM 0 H LEU A 73 -7.615 -4.131 -5.659 1.00 72.12 H new ATOM 0 HA LEU A 73 -8.284 -6.782 -6.522 1.00 42.13 H new ATOM 0 HB2 LEU A 73 -5.618 -5.662 -5.566 1.00 11.34 H new ATOM 0 HB3 LEU A 73 -5.863 -7.095 -6.543 1.00 11.34 H new ATOM 0 HG LEU A 73 -6.284 -4.221 -7.354 1.00 44.20 H new ATOM 0 HD11 LEU A 73 -4.492 -4.779 -9.033 1.00 43.21 H new ATOM 0 HD12 LEU A 73 -3.932 -5.016 -7.361 1.00 43.21 H new ATOM 0 HD13 LEU A 73 -4.397 -6.419 -8.351 1.00 43.21 H new ATOM 0 HD21 LEU A 73 -6.829 -5.012 -9.630 1.00 23.34 H new ATOM 0 HD22 LEU A 73 -6.852 -6.687 -9.030 1.00 23.34 H new ATOM 0 HD23 LEU A 73 -8.043 -5.509 -8.428 1.00 23.34 H new ATOM 1078 N THR A 74 -8.476 -6.555 -3.489 1.00 23.04 N ATOM 1079 CA THR A 74 -8.570 -7.176 -2.162 1.00 23.14 C ATOM 1080 C THR A 74 -8.831 -8.691 -2.209 1.00 64.01 C ATOM 1081 O THR A 74 -8.433 -9.427 -1.305 1.00 41.30 O ATOM 1082 CB THR A 74 -9.608 -6.417 -1.310 1.00 34.11 C ATOM 1083 OG1 THR A 74 -9.636 -6.892 0.021 1.00 71.13 O ATOM 1084 CG2 THR A 74 -11.032 -6.520 -1.867 1.00 34.43 C ATOM 0 H THR A 74 -9.071 -5.732 -3.580 1.00 23.04 H new ATOM 0 HA THR A 74 -7.595 -7.088 -1.683 1.00 23.14 H new ATOM 0 HB THR A 74 -9.287 -5.376 -1.340 1.00 34.11 H new ATOM 0 HG1 THR A 74 -8.727 -6.891 0.388 1.00 71.13 H new ATOM 0 HG21 THR A 74 -11.715 -5.966 -1.224 1.00 34.43 H new ATOM 0 HG22 THR A 74 -11.060 -6.101 -2.873 1.00 34.43 H new ATOM 0 HG23 THR A 74 -11.334 -7.567 -1.901 1.00 34.43 H new ATOM 1092 N GLY A 75 -9.490 -9.155 -3.266 1.00 4.53 N ATOM 1093 CA GLY A 75 -9.940 -10.524 -3.439 1.00 73.12 C ATOM 1094 C GLY A 75 -9.098 -11.303 -4.442 1.00 75.22 C ATOM 1095 O GLY A 75 -9.545 -12.347 -4.926 1.00 52.33 O ATOM 0 H GLY A 75 -9.733 -8.558 -4.057 1.00 4.53 H new ATOM 0 HA2 GLY A 75 -9.913 -11.034 -2.476 1.00 73.12 H new ATOM 0 HA3 GLY A 75 -10.979 -10.521 -3.769 1.00 73.12 H new ATOM 1099 N GLN A 76 -7.921 -10.796 -4.806 1.00 20.32 N ATOM 1100 CA GLN A 76 -6.876 -11.592 -5.426 1.00 73.44 C ATOM 1101 C GLN A 76 -5.936 -12.091 -4.325 1.00 12.10 C ATOM 1102 O GLN A 76 -6.031 -11.656 -3.178 1.00 2.12 O ATOM 1103 CB GLN A 76 -6.128 -10.774 -6.482 1.00 1.45 C ATOM 1104 CG GLN A 76 -7.062 -10.186 -7.550 1.00 12.52 C ATOM 1105 CD GLN A 76 -6.344 -9.686 -8.801 1.00 63.32 C ATOM 1106 OE1 GLN A 76 -5.124 -9.767 -8.930 1.00 44.42 O ATOM 1107 NE2 GLN A 76 -7.096 -9.185 -9.762 1.00 52.12 N ATOM 0 H GLN A 76 -7.669 -9.816 -4.676 1.00 20.32 H new ATOM 0 HA GLN A 76 -7.310 -12.448 -5.942 1.00 73.44 H new ATOM 0 HB2 GLN A 76 -5.588 -9.964 -5.992 1.00 1.45 H new ATOM 0 HB3 GLN A 76 -5.384 -11.407 -6.965 1.00 1.45 H new ATOM 0 HG2 GLN A 76 -7.788 -10.946 -7.840 1.00 12.52 H new ATOM 0 HG3 GLN A 76 -7.623 -9.360 -7.112 1.00 12.52 H new ATOM 0 HE21 GLN A 76 -8.107 -9.125 -9.640 1.00 52.12 H new ATOM 0 HE22 GLN A 76 -6.667 -8.858 -10.628 1.00 52.12 H new ATOM 1114 N ARG A 77 -5.019 -13.001 -4.654 1.00 73.11 N ATOM 1115 CA ARG A 77 -4.045 -13.537 -3.704 1.00 32.32 C ATOM 1116 C ARG A 77 -2.728 -13.806 -4.408 1.00 4.21 C ATOM 1117 O ARG A 77 -2.494 -14.919 -4.872 1.00 54.54 O ATOM 1118 CB ARG A 77 -4.591 -14.793 -3.008 1.00 4.50 C ATOM 1119 CG ARG A 77 -5.285 -15.790 -3.955 1.00 3.33 C ATOM 1120 CD ARG A 77 -5.298 -17.204 -3.369 1.00 11.54 C ATOM 1121 NE ARG A 77 -6.485 -17.959 -3.807 1.00 2.12 N ATOM 1122 CZ ARG A 77 -7.728 -17.762 -3.340 1.00 1.33 C ATOM 1123 NH1 ARG A 77 -7.948 -17.010 -2.265 1.00 73.14 N ATOM 1124 NH2 ARG A 77 -8.772 -18.302 -3.960 1.00 73.04 N ATOM 0 H ARG A 77 -4.931 -13.389 -5.593 1.00 73.11 H new ATOM 0 HA ARG A 77 -3.864 -12.796 -2.925 1.00 32.32 H new ATOM 0 HB2 ARG A 77 -3.769 -15.301 -2.503 1.00 4.50 H new ATOM 0 HB3 ARG A 77 -5.299 -14.489 -2.237 1.00 4.50 H new ATOM 0 HG2 ARG A 77 -6.308 -15.463 -4.143 1.00 3.33 H new ATOM 0 HG3 ARG A 77 -4.771 -15.798 -4.916 1.00 3.33 H new ATOM 0 HD2 ARG A 77 -4.396 -17.734 -3.674 1.00 11.54 H new ATOM 0 HD3 ARG A 77 -5.282 -17.148 -2.281 1.00 11.54 H new ATOM 0 HE ARG A 77 -6.353 -18.682 -4.514 1.00 2.12 H new ATOM 0 HH11 ARG A 77 -7.165 -16.571 -1.781 1.00 73.14 H new ATOM 0 HH12 ARG A 77 -8.900 -16.872 -1.925 1.00 73.14 H new ATOM 0 HH21 ARG A 77 -8.631 -18.870 -4.796 1.00 73.04 H new ATOM 0 HH22 ARG A 77 -9.714 -18.149 -3.600 1.00 73.04 H new ATOM 1135 N VAL A 78 -1.865 -12.799 -4.490 1.00 31.12 N ATOM 1136 CA VAL A 78 -0.567 -12.937 -5.141 1.00 3.51 C ATOM 1137 C VAL A 78 0.217 -14.038 -4.439 1.00 20.34 C ATOM 1138 O VAL A 78 0.584 -13.912 -3.276 1.00 52.54 O ATOM 1139 CB VAL A 78 0.181 -11.597 -5.268 1.00 1.53 C ATOM 1140 CG1 VAL A 78 0.304 -10.842 -3.957 1.00 12.20 C ATOM 1141 CG2 VAL A 78 1.587 -11.740 -5.876 1.00 61.25 C ATOM 0 H VAL A 78 -2.044 -11.870 -4.110 1.00 31.12 H new ATOM 0 HA VAL A 78 -0.706 -13.241 -6.178 1.00 3.51 H new ATOM 0 HB VAL A 78 -0.448 -11.022 -5.948 1.00 1.53 H new ATOM 0 HG11 VAL A 78 0.842 -9.909 -4.124 1.00 12.20 H new ATOM 0 HG12 VAL A 78 -0.691 -10.623 -3.568 1.00 12.20 H new ATOM 0 HG13 VAL A 78 0.849 -11.451 -3.236 1.00 12.20 H new ATOM 0 HG21 VAL A 78 2.058 -10.759 -5.937 1.00 61.25 H new ATOM 0 HG22 VAL A 78 2.191 -12.394 -5.247 1.00 61.25 H new ATOM 0 HG23 VAL A 78 1.509 -12.168 -6.875 1.00 61.25 H new ATOM 1151 N LEU A 79 0.399 -15.155 -5.133 1.00 51.54 N ATOM 1152 CA LEU A 79 1.022 -16.388 -4.646 1.00 21.31 C ATOM 1153 C LEU A 79 0.489 -16.828 -3.268 1.00 62.05 C ATOM 1154 O LEU A 79 1.226 -17.437 -2.486 1.00 31.14 O ATOM 1155 CB LEU A 79 2.559 -16.244 -4.665 1.00 12.44 C ATOM 1156 CG LEU A 79 3.161 -15.733 -5.991 1.00 12.11 C ATOM 1157 CD1 LEU A 79 4.691 -15.776 -5.929 1.00 23.23 C ATOM 1158 CD2 LEU A 79 2.693 -16.545 -7.202 1.00 62.45 C ATOM 0 H LEU A 79 0.101 -15.233 -6.105 1.00 51.54 H new ATOM 0 HA LEU A 79 0.744 -17.193 -5.326 1.00 21.31 H new ATOM 0 HB2 LEU A 79 2.853 -15.563 -3.866 1.00 12.44 H new ATOM 0 HB3 LEU A 79 3.000 -17.214 -4.435 1.00 12.44 H new ATOM 0 HG LEU A 79 2.812 -14.708 -6.116 1.00 12.11 H new ATOM 0 HD11 LEU A 79 5.104 -15.413 -6.870 1.00 23.23 H new ATOM 0 HD12 LEU A 79 5.040 -15.144 -5.112 1.00 23.23 H new ATOM 0 HD13 LEU A 79 5.020 -16.801 -5.760 1.00 23.23 H new ATOM 0 HD21 LEU A 79 3.147 -16.142 -8.108 1.00 62.45 H new ATOM 0 HD22 LEU A 79 2.991 -17.586 -7.079 1.00 62.45 H new ATOM 0 HD23 LEU A 79 1.608 -16.485 -7.283 1.00 62.45 H new ATOM 1169 N GLY A 80 -0.775 -16.538 -2.955 1.00 4.13 N ATOM 1170 CA GLY A 80 -1.397 -16.885 -1.676 1.00 62.04 C ATOM 1171 C GLY A 80 -1.380 -15.742 -0.655 1.00 41.52 C ATOM 1172 O GLY A 80 -1.518 -15.991 0.545 1.00 20.01 O ATOM 0 H GLY A 80 -1.404 -16.049 -3.592 1.00 4.13 H new ATOM 0 HA2 GLY A 80 -2.429 -17.187 -1.854 1.00 62.04 H new ATOM 0 HA3 GLY A 80 -0.881 -17.747 -1.253 1.00 62.04 H new ATOM 1176 N VAL A 81 -1.200 -14.499 -1.095 1.00 60.45 N ATOM 1177 CA VAL A 81 -1.111 -13.299 -0.266 1.00 54.13 C ATOM 1178 C VAL A 81 -2.257 -12.344 -0.636 1.00 32.14 C ATOM 1179 O VAL A 81 -2.095 -11.551 -1.567 1.00 4.40 O ATOM 1180 CB VAL A 81 0.291 -12.663 -0.360 1.00 0.43 C ATOM 1181 CG1 VAL A 81 0.406 -11.516 0.646 1.00 0.12 C ATOM 1182 CG2 VAL A 81 1.413 -13.677 -0.072 1.00 15.24 C ATOM 0 H VAL A 81 -1.108 -14.291 -2.089 1.00 60.45 H new ATOM 0 HA VAL A 81 -1.235 -13.556 0.786 1.00 54.13 H new ATOM 0 HB VAL A 81 0.409 -12.301 -1.381 1.00 0.43 H new ATOM 0 HG11 VAL A 81 1.398 -11.069 0.577 1.00 0.12 H new ATOM 0 HG12 VAL A 81 -0.348 -10.761 0.425 1.00 0.12 H new ATOM 0 HG13 VAL A 81 0.251 -11.900 1.654 1.00 0.12 H new ATOM 0 HG21 VAL A 81 2.381 -13.181 -0.150 1.00 15.24 H new ATOM 0 HG22 VAL A 81 1.291 -14.078 0.934 1.00 15.24 H new ATOM 0 HG23 VAL A 81 1.363 -14.491 -0.796 1.00 15.24 H new ATOM 1192 N PRO A 82 -3.457 -12.475 -0.049 1.00 60.02 N ATOM 1193 CA PRO A 82 -4.520 -11.484 -0.207 1.00 3.21 C ATOM 1194 C PRO A 82 -4.162 -10.147 0.462 1.00 14.54 C ATOM 1195 O PRO A 82 -3.155 -10.038 1.165 1.00 2.31 O ATOM 1196 CB PRO A 82 -5.763 -12.126 0.408 1.00 33.10 C ATOM 1197 CG PRO A 82 -5.167 -13.002 1.506 1.00 21.24 C ATOM 1198 CD PRO A 82 -3.825 -13.460 0.956 1.00 12.50 C ATOM 0 HA PRO A 82 -4.682 -11.231 -1.255 1.00 3.21 H new ATOM 0 HB2 PRO A 82 -6.449 -11.381 0.810 1.00 33.10 H new ATOM 0 HB3 PRO A 82 -6.321 -12.712 -0.322 1.00 33.10 H new ATOM 0 HG2 PRO A 82 -5.044 -12.443 2.434 1.00 21.24 H new ATOM 0 HG3 PRO A 82 -5.813 -13.851 1.729 1.00 21.24 H new ATOM 0 HD2 PRO A 82 -3.075 -13.513 1.746 1.00 12.50 H new ATOM 0 HD3 PRO A 82 -3.900 -14.456 0.520 1.00 12.50 H new ATOM 1203 N ILE A 83 -5.013 -9.135 0.264 1.00 53.13 N ATOM 1204 CA ILE A 83 -4.795 -7.771 0.729 1.00 71.13 C ATOM 1205 C ILE A 83 -6.115 -7.191 1.245 1.00 54.20 C ATOM 1206 O ILE A 83 -7.174 -7.458 0.680 1.00 33.11 O ATOM 1207 CB ILE A 83 -4.144 -6.931 -0.399 1.00 4.44 C ATOM 1208 CG1 ILE A 83 -4.071 -5.463 0.070 1.00 24.25 C ATOM 1209 CG2 ILE A 83 -4.831 -7.040 -1.782 1.00 41.10 C ATOM 1210 CD1 ILE A 83 -3.195 -4.553 -0.773 1.00 32.32 C ATOM 0 H ILE A 83 -5.894 -9.250 -0.238 1.00 53.13 H new ATOM 0 HA ILE A 83 -4.097 -7.753 1.566 1.00 71.13 H new ATOM 0 HB ILE A 83 -3.149 -7.344 -0.568 1.00 4.44 H new ATOM 0 HG12 ILE A 83 -5.081 -5.054 0.086 1.00 24.25 H new ATOM 0 HG13 ILE A 83 -3.703 -5.445 1.096 1.00 24.25 H new ATOM 0 HG21 ILE A 83 -4.301 -6.416 -2.502 1.00 41.10 H new ATOM 0 HG22 ILE A 83 -4.812 -8.077 -2.117 1.00 41.10 H new ATOM 0 HG23 ILE A 83 -5.865 -6.704 -1.702 1.00 41.10 H new ATOM 0 HD11 ILE A 83 -3.213 -3.545 -0.359 1.00 32.32 H new ATOM 0 HD12 ILE A 83 -2.172 -4.929 -0.771 1.00 32.32 H new ATOM 0 HD13 ILE A 83 -3.571 -4.531 -1.796 1.00 32.32 H new ATOM 1221 N ILE A 84 -6.070 -6.385 2.308 1.00 55.34 N ATOM 1222 CA ILE A 84 -7.222 -5.636 2.808 1.00 0.53 C ATOM 1223 C ILE A 84 -7.330 -4.301 2.055 1.00 3.23 C ATOM 1224 O ILE A 84 -6.320 -3.646 1.819 1.00 72.33 O ATOM 1225 CB ILE A 84 -7.074 -5.400 4.331 1.00 22.25 C ATOM 1226 CG1 ILE A 84 -6.752 -6.685 5.129 1.00 71.24 C ATOM 1227 CG2 ILE A 84 -8.321 -4.735 4.937 1.00 63.02 C ATOM 1228 CD1 ILE A 84 -7.742 -7.838 4.960 1.00 71.12 C ATOM 0 H ILE A 84 -5.221 -6.233 2.852 1.00 55.34 H new ATOM 0 HA ILE A 84 -8.135 -6.207 2.638 1.00 0.53 H new ATOM 0 HB ILE A 84 -6.221 -4.727 4.421 1.00 22.25 H new ATOM 0 HG12 ILE A 84 -5.762 -7.035 4.835 1.00 71.24 H new ATOM 0 HG13 ILE A 84 -6.698 -6.429 6.187 1.00 71.24 H new ATOM 0 HG21 ILE A 84 -8.172 -4.589 6.007 1.00 63.02 H new ATOM 0 HG22 ILE A 84 -8.487 -3.770 4.459 1.00 63.02 H new ATOM 0 HG23 ILE A 84 -9.189 -5.374 4.776 1.00 63.02 H new ATOM 0 HD11 ILE A 84 -7.419 -8.686 5.563 1.00 71.12 H new ATOM 0 HD12 ILE A 84 -8.732 -7.518 5.285 1.00 71.12 H new ATOM 0 HD13 ILE A 84 -7.782 -8.133 3.911 1.00 71.12 H new ATOM 1239 N VAL A 85 -8.561 -3.846 1.798 1.00 51.22 N ATOM 1240 CA VAL A 85 -8.977 -2.561 1.208 1.00 24.23 C ATOM 1241 C VAL A 85 -8.591 -1.306 2.014 1.00 13.25 C ATOM 1242 O VAL A 85 -9.137 -0.229 1.770 1.00 44.10 O ATOM 1243 CB VAL A 85 -10.518 -2.593 1.050 1.00 41.41 C ATOM 1244 CG1 VAL A 85 -10.949 -3.720 0.132 1.00 33.14 C ATOM 1245 CG2 VAL A 85 -11.285 -2.721 2.379 1.00 35.04 C ATOM 0 H VAL A 85 -9.373 -4.422 2.018 1.00 51.22 H new ATOM 0 HA VAL A 85 -8.445 -2.471 0.261 1.00 24.23 H new ATOM 0 HB VAL A 85 -10.773 -1.625 0.618 1.00 41.41 H new ATOM 0 HG11 VAL A 85 -12.035 -3.719 0.039 1.00 33.14 H new ATOM 0 HG12 VAL A 85 -10.501 -3.580 -0.852 1.00 33.14 H new ATOM 0 HG13 VAL A 85 -10.621 -4.673 0.547 1.00 33.14 H new ATOM 0 HG21 VAL A 85 -12.357 -2.736 2.181 1.00 35.04 H new ATOM 0 HG22 VAL A 85 -10.995 -3.645 2.879 1.00 35.04 H new ATOM 0 HG23 VAL A 85 -11.047 -1.872 3.020 1.00 35.04 H new ATOM 1255 N GLN A 86 -7.753 -1.452 3.035 1.00 54.22 N ATOM 1256 CA GLN A 86 -7.694 -0.555 4.184 1.00 42.22 C ATOM 1257 C GLN A 86 -7.376 0.903 3.844 1.00 60.13 C ATOM 1258 O GLN A 86 -7.766 1.769 4.635 1.00 34.44 O ATOM 1259 CB GLN A 86 -6.673 -1.076 5.215 1.00 2.33 C ATOM 1260 CG GLN A 86 -7.317 -1.481 6.558 1.00 3.55 C ATOM 1261 CD GLN A 86 -6.807 -0.681 7.758 1.00 51.14 C ATOM 1262 OE1 GLN A 86 -6.279 -1.238 8.720 1.00 71.04 O ATOM 1263 NE2 GLN A 86 -6.906 0.639 7.727 1.00 35.03 N ATOM 0 H GLN A 86 -7.079 -2.216 3.088 1.00 54.22 H new ATOM 0 HA GLN A 86 -8.702 -0.555 4.598 1.00 42.22 H new ATOM 0 HB2 GLN A 86 -6.150 -1.936 4.796 1.00 2.33 H new ATOM 0 HB3 GLN A 86 -5.924 -0.305 5.397 1.00 2.33 H new ATOM 0 HG2 GLN A 86 -8.397 -1.356 6.484 1.00 3.55 H new ATOM 0 HG3 GLN A 86 -7.130 -2.540 6.734 1.00 3.55 H new ATOM 0 HE21 GLN A 86 -7.344 1.099 6.929 1.00 35.03 H new ATOM 0 HE22 GLN A 86 -6.544 1.196 8.501 1.00 35.03 H new ATOM 1270 N ALA A 87 -6.690 1.165 2.722 1.00 40.50 N ATOM 1271 CA ALA A 87 -6.214 2.446 2.226 1.00 3.13 C ATOM 1272 C ALA A 87 -5.274 3.125 3.221 1.00 40.32 C ATOM 1273 O ALA A 87 -5.218 2.783 4.404 1.00 61.22 O ATOM 1274 CB ALA A 87 -7.435 3.317 1.900 1.00 52.23 C ATOM 0 H ALA A 87 -6.435 0.409 2.086 1.00 40.50 H new ATOM 0 HA ALA A 87 -5.625 2.294 1.321 1.00 3.13 H new ATOM 0 HB1 ALA A 87 -7.102 4.285 1.525 1.00 52.23 H new ATOM 0 HB2 ALA A 87 -8.042 2.823 1.141 1.00 52.23 H new ATOM 0 HB3 ALA A 87 -8.030 3.462 2.802 1.00 52.23 H new ATOM 1280 N SER A 88 -4.531 4.120 2.755 1.00 24.32 N ATOM 1281 CA SER A 88 -3.792 5.017 3.635 1.00 44.50 C ATOM 1282 C SER A 88 -4.661 6.269 3.794 1.00 54.41 C ATOM 1283 O SER A 88 -4.659 7.154 2.936 1.00 55.24 O ATOM 1284 CB SER A 88 -2.392 5.298 3.069 1.00 53.14 C ATOM 1285 OG SER A 88 -1.420 5.254 4.091 1.00 4.31 O ATOM 0 H SER A 88 -4.423 4.328 1.762 1.00 24.32 H new ATOM 0 HA SER A 88 -3.608 4.582 4.617 1.00 44.50 H new ATOM 0 HB2 SER A 88 -2.151 4.564 2.300 1.00 53.14 H new ATOM 0 HB3 SER A 88 -2.378 6.277 2.590 1.00 53.14 H new ATOM 0 HG SER A 88 -0.536 5.434 3.709 1.00 4.31 H new ATOM 1290 N GLN A 89 -5.489 6.299 4.839 1.00 52.43 N ATOM 1291 CA GLN A 89 -6.330 7.442 5.179 1.00 3.41 C ATOM 1292 C GLN A 89 -5.707 8.140 6.385 1.00 24.42 C ATOM 1293 O GLN A 89 -5.122 7.477 7.253 1.00 75.02 O ATOM 1294 CB GLN A 89 -7.763 6.983 5.487 1.00 22.05 C ATOM 1295 CG GLN A 89 -8.480 6.323 4.303 1.00 41.20 C ATOM 1296 CD GLN A 89 -9.560 7.222 3.710 1.00 55.24 C ATOM 1297 OE1 GLN A 89 -9.294 8.338 3.272 1.00 60.32 O ATOM 1298 NE2 GLN A 89 -10.795 6.758 3.655 1.00 40.24 N ATOM 0 H GLN A 89 -5.594 5.515 5.483 1.00 52.43 H new ATOM 0 HA GLN A 89 -6.387 8.135 4.339 1.00 3.41 H new ATOM 0 HB2 GLN A 89 -7.736 6.279 6.319 1.00 22.05 H new ATOM 0 HB3 GLN A 89 -8.345 7.844 5.816 1.00 22.05 H new ATOM 0 HG2 GLN A 89 -7.751 6.076 3.531 1.00 41.20 H new ATOM 0 HG3 GLN A 89 -8.929 5.385 4.629 1.00 41.20 H new ATOM 0 HE21 GLN A 89 -11.008 5.830 4.021 1.00 40.24 H new ATOM 0 HE22 GLN A 89 -11.536 7.328 3.247 1.00 40.24 H new ATOM 1305 N ALA A 90 -5.883 9.460 6.453 1.00 13.34 N ATOM 1306 CA ALA A 90 -5.126 10.396 7.274 1.00 61.21 C ATOM 1307 C ALA A 90 -3.601 10.204 7.143 1.00 35.02 C ATOM 1308 O ALA A 90 -3.115 9.385 6.360 1.00 34.15 O ATOM 1309 CB ALA A 90 -5.642 10.364 8.721 1.00 14.53 C ATOM 0 H ALA A 90 -6.602 9.929 5.902 1.00 13.34 H new ATOM 0 HA ALA A 90 -5.297 11.405 6.898 1.00 61.21 H new ATOM 0 HB1 ALA A 90 -5.070 11.067 9.327 1.00 14.53 H new ATOM 0 HB2 ALA A 90 -6.695 10.644 8.738 1.00 14.53 H new ATOM 0 HB3 ALA A 90 -5.527 9.359 9.126 1.00 14.53 H new ATOM 1315 N GLU A 91 -2.837 11.002 7.885 1.00 41.52 N ATOM 1316 CA GLU A 91 -1.387 11.099 7.816 1.00 20.35 C ATOM 1317 C GLU A 91 -0.787 10.888 9.220 1.00 44.31 C ATOM 1318 O GLU A 91 0.321 11.324 9.521 1.00 60.33 O ATOM 1319 CB GLU A 91 -1.098 12.477 7.196 1.00 44.14 C ATOM 1320 CG GLU A 91 0.308 12.637 6.615 1.00 71.10 C ATOM 1321 CD GLU A 91 1.313 13.316 7.554 1.00 53.10 C ATOM 1322 OE1 GLU A 91 0.979 14.345 8.191 1.00 20.21 O ATOM 1323 OE2 GLU A 91 2.448 12.814 7.695 1.00 75.22 O ATOM 0 H GLU A 91 -3.235 11.628 8.585 1.00 41.52 H new ATOM 0 HA GLU A 91 -0.921 10.330 7.199 1.00 20.35 H new ATOM 0 HB2 GLU A 91 -1.826 12.664 6.406 1.00 44.14 H new ATOM 0 HB3 GLU A 91 -1.250 13.242 7.958 1.00 44.14 H new ATOM 0 HG2 GLU A 91 0.690 11.652 6.346 1.00 71.10 H new ATOM 0 HG3 GLU A 91 0.243 13.216 5.694 1.00 71.10 H new ATOM 1328 N LYS A 92 -1.538 10.294 10.147 1.00 53.21 N ATOM 1329 CA LYS A 92 -1.238 10.307 11.575 1.00 63.34 C ATOM 1330 C LYS A 92 -0.472 9.044 11.965 1.00 13.13 C ATOM 1331 O LYS A 92 0.364 8.553 11.205 1.00 20.01 O ATOM 1332 CB LYS A 92 -2.490 10.603 12.422 1.00 15.13 C ATOM 1333 CG LYS A 92 -3.245 11.865 11.960 1.00 35.05 C ATOM 1334 CD LYS A 92 -4.328 12.321 12.955 1.00 12.52 C ATOM 1335 CE LYS A 92 -4.527 13.847 12.979 1.00 32.22 C ATOM 1336 NZ LYS A 92 -5.001 14.403 11.695 1.00 52.41 N ATOM 0 H LYS A 92 -2.389 9.780 9.920 1.00 53.21 H new ATOM 0 HA LYS A 92 -0.570 11.139 11.799 1.00 63.34 H new ATOM 0 HB2 LYS A 92 -3.163 9.747 12.377 1.00 15.13 H new ATOM 0 HB3 LYS A 92 -2.196 10.723 13.465 1.00 15.13 H new ATOM 0 HG2 LYS A 92 -2.531 12.675 11.814 1.00 35.05 H new ATOM 0 HG3 LYS A 92 -3.708 11.670 10.993 1.00 35.05 H new ATOM 0 HD2 LYS A 92 -5.273 11.842 12.698 1.00 12.52 H new ATOM 0 HD3 LYS A 92 -4.060 11.981 13.955 1.00 12.52 H new ATOM 0 HE2 LYS A 92 -5.243 14.099 13.761 1.00 32.22 H new ATOM 0 HE3 LYS A 92 -3.584 14.324 13.245 1.00 32.22 H new ATOM 0 HZ1 LYS A 92 -5.113 15.433 11.783 1.00 52.41 H new ATOM 0 HZ2 LYS A 92 -4.308 14.193 10.949 1.00 52.41 H new ATOM 0 HZ3 LYS A 92 -5.916 13.975 11.448 1.00 52.41 H new ATOM 1346 N ASN A 93 -0.605 8.644 13.235 1.00 63.42 N ATOM 1347 CA ASN A 93 -0.129 7.396 13.826 1.00 54.40 C ATOM 1348 C ASN A 93 1.297 7.021 13.403 1.00 51.31 C ATOM 1349 O ASN A 93 1.472 6.130 12.564 1.00 24.11 O ATOM 1350 CB ASN A 93 -1.109 6.234 13.579 1.00 52.21 C ATOM 1351 CG ASN A 93 -2.474 6.413 14.222 1.00 23.44 C ATOM 1352 OD1 ASN A 93 -3.494 6.207 13.578 1.00 41.13 O ATOM 1353 ND2 ASN A 93 -2.546 6.700 15.507 1.00 21.21 N ATOM 0 H ASN A 93 -1.082 9.228 13.922 1.00 63.42 H new ATOM 0 HA ASN A 93 -0.087 7.581 14.899 1.00 54.40 H new ATOM 0 HB2 ASN A 93 -1.241 6.109 12.504 1.00 52.21 H new ATOM 0 HB3 ASN A 93 -0.663 5.313 13.954 1.00 52.21 H new ATOM 0 HD21 ASN A 93 -3.454 6.751 15.968 1.00 21.21 H new ATOM 0 HD22 ASN A 93 -1.693 6.871 16.040 1.00 21.21 H new ATOM 1359 N ARG A 94 2.312 7.690 13.960 1.00 73.02 N ATOM 1360 CA ARG A 94 3.690 7.203 13.837 1.00 24.13 C ATOM 1361 C ARG A 94 3.784 5.913 14.626 1.00 75.30 C ATOM 1362 O ARG A 94 4.378 4.939 14.120 1.00 60.04 O ATOM 1363 CB ARG A 94 4.716 8.225 14.356 1.00 35.05 C ATOM 1364 CG ARG A 94 5.105 9.331 13.361 1.00 32.03 C ATOM 1365 CD ARG A 94 4.003 10.363 13.089 1.00 24.41 C ATOM 1366 NE ARG A 94 3.392 10.221 11.756 1.00 75.11 N ATOM 1367 CZ ARG A 94 3.823 10.829 10.642 1.00 72.20 C ATOM 1368 NH1 ARG A 94 5.031 11.379 10.578 1.00 74.30 N ATOM 1369 NH2 ARG A 94 3.020 10.893 9.594 1.00 51.52 N ATOM 0 H ARG A 94 2.209 8.555 14.491 1.00 73.02 H new ATOM 0 HA ARG A 94 3.925 7.041 12.785 1.00 24.13 H new ATOM 0 HB2 ARG A 94 4.315 8.693 15.255 1.00 35.05 H new ATOM 0 HB3 ARG A 94 5.619 7.691 14.651 1.00 35.05 H new ATOM 0 HG2 ARG A 94 5.985 9.850 13.741 1.00 32.03 H new ATOM 0 HG3 ARG A 94 5.391 8.868 12.417 1.00 32.03 H new ATOM 0 HD2 ARG A 94 3.228 10.266 13.849 1.00 24.41 H new ATOM 0 HD3 ARG A 94 4.421 11.365 13.185 1.00 24.41 H new ATOM 0 HE ARG A 94 2.577 9.613 11.675 1.00 75.11 H new ATOM 0 HH11 ARG A 94 5.651 11.344 11.387 1.00 74.30 H new ATOM 0 HH12 ARG A 94 5.338 11.837 9.720 1.00 74.30 H new ATOM 0 HH21 ARG A 94 2.087 10.483 9.640 1.00 51.52 H new ATOM 0 HH22 ARG A 94 3.333 11.352 8.739 1.00 51.52 H new TER 1380 ARG A 94