USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 534 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 14 CYS SG : rot -102:sc= 1.1 USER MOD Set 1.2: A 63 TYR OH : rot -52:sc= 0.0283 USER MOD Single : A 2 GLN : amide:sc= -4.06! C(o=-4.1!,f=-3.1!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 174:sc= -4.33! USER MOD Single : A 12 ASN : amide:sc= -5.33 K(o=-5.3,f=-16!) USER MOD Single : A 13 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.56) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.241 K(o=-0.24,f=-2.1!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.7!) USER MOD Single : A 50 GLN : amide:sc= -0.331 K(o=-0.33,f=-2.7!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 55:sc= -4.92! USER MOD Single : A 56 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.2) USER MOD Single : A 59 ASN : amide:sc= -0.0479 K(o=-0.048,f=-1.9) USER MOD Single : A 64 GLN : amide:sc= -0.0309 K(o=-0.031,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 11 N GLN A 2 -6.701 -4.389 -4.561 1.00 0.00 N ATOM 12 CA GLN A 2 -7.304 -3.555 -3.535 1.00 0.00 C ATOM 13 C GLN A 2 -6.599 -2.199 -3.472 1.00 0.00 C ATOM 14 O GLN A 2 -5.444 -2.076 -3.879 1.00 0.00 O ATOM 15 CB GLN A 2 -7.275 -4.252 -2.174 1.00 0.00 C ATOM 16 CG GLN A 2 -8.667 -4.755 -1.785 1.00 0.00 C ATOM 17 CD GLN A 2 -9.650 -3.591 -1.644 1.00 0.00 C ATOM 18 OE1 GLN A 2 -10.269 -3.148 -2.597 1.00 0.00 O ATOM 19 NE2 GLN A 2 -9.757 -3.121 -0.404 1.00 0.00 N ATOM 0 HA GLN A 2 -8.349 -3.388 -3.798 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.578 -5.089 -2.205 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.909 -3.560 -1.415 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.030 -5.453 -2.540 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.610 -5.304 -0.845 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -9.209 -3.538 0.349 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -10.387 -2.343 -0.206 1.00 0.00 H new ATOM 28 N GLU A 3 -7.322 -1.215 -2.959 1.00 0.00 N ATOM 29 CA GLU A 3 -6.780 0.128 -2.837 1.00 0.00 C ATOM 30 C GLU A 3 -7.094 0.704 -1.455 1.00 0.00 C ATOM 31 O GLU A 3 -8.011 0.239 -0.779 1.00 0.00 O ATOM 32 CB GLU A 3 -7.315 1.038 -3.944 1.00 0.00 C ATOM 33 CG GLU A 3 -8.769 1.432 -3.676 1.00 0.00 C ATOM 34 CD GLU A 3 -9.597 1.383 -4.962 1.00 0.00 C ATOM 35 OE1 GLU A 3 -9.334 2.234 -5.839 1.00 0.00 O ATOM 36 OE2 GLU A 3 -10.474 0.496 -5.039 1.00 0.00 O ATOM 0 H GLU A 3 -8.279 -1.321 -2.623 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.697 0.073 -2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.698 1.934 -4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.244 0.528 -4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.201 0.759 -2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.805 2.436 -3.254 1.00 0.00 H new ATOM 43 N PHE A 4 -6.316 1.707 -1.076 1.00 0.00 N ATOM 44 CA PHE A 4 -6.499 2.351 0.214 1.00 0.00 C ATOM 45 C PHE A 4 -6.381 3.871 0.089 1.00 0.00 C ATOM 46 O PHE A 4 -5.612 4.372 -0.730 1.00 0.00 O ATOM 47 CB PHE A 4 -5.388 1.838 1.132 1.00 0.00 C ATOM 48 CG PHE A 4 -4.873 0.444 0.767 1.00 0.00 C ATOM 49 CD1 PHE A 4 -5.728 -0.613 0.744 1.00 0.00 C ATOM 50 CD2 PHE A 4 -3.559 0.263 0.465 1.00 0.00 C ATOM 51 CE1 PHE A 4 -5.250 -1.906 0.405 1.00 0.00 C ATOM 52 CE2 PHE A 4 -3.080 -1.031 0.127 1.00 0.00 C ATOM 53 CZ PHE A 4 -3.936 -2.088 0.104 1.00 0.00 C ATOM 0 H PHE A 4 -5.557 2.090 -1.640 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.489 2.122 0.607 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -4.555 2.540 1.105 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.757 1.821 2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.771 -0.469 0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -2.880 1.103 0.482 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.930 -2.745 0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.037 -1.176 -0.112 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.572 -3.072 -0.153 1.00 0.00 H new ATOM 63 N SER A 5 -7.154 4.562 0.914 1.00 0.00 N ATOM 64 CA SER A 5 -7.145 6.015 0.906 1.00 0.00 C ATOM 65 C SER A 5 -6.232 6.539 2.017 1.00 0.00 C ATOM 66 O SER A 5 -6.317 6.090 3.159 1.00 0.00 O ATOM 67 CB SER A 5 -8.559 6.575 1.073 1.00 0.00 C ATOM 68 OG SER A 5 -8.553 7.876 1.656 1.00 0.00 O ATOM 0 H SER A 5 -7.790 4.143 1.592 1.00 0.00 H new ATOM 0 HA SER A 5 -6.762 6.349 -0.058 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.050 6.616 0.101 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.145 5.901 1.698 1.00 0.00 H new ATOM 0 HG SER A 5 -9.474 8.199 1.744 1.00 0.00 H new ATOM 74 N VAL A 6 -5.379 7.481 1.642 1.00 0.00 N ATOM 75 CA VAL A 6 -4.451 8.071 2.592 1.00 0.00 C ATOM 76 C VAL A 6 -4.937 9.471 2.972 1.00 0.00 C ATOM 77 O VAL A 6 -5.226 10.289 2.100 1.00 0.00 O ATOM 78 CB VAL A 6 -3.035 8.066 2.013 1.00 0.00 C ATOM 79 CG1 VAL A 6 -2.036 8.671 3.001 1.00 0.00 C ATOM 80 CG2 VAL A 6 -2.615 6.653 1.604 1.00 0.00 C ATOM 0 H VAL A 6 -5.311 7.850 0.694 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.415 7.480 3.507 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.037 8.687 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.037 8.655 2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.320 9.700 3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.038 8.089 3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.605 6.678 1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.638 6.000 2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.303 6.273 0.848 1.00 0.00 H new ATOM 90 N LYS A 7 -5.013 9.704 4.274 1.00 0.00 N ATOM 91 CA LYS A 7 -5.459 10.991 4.779 1.00 0.00 C ATOM 92 C LYS A 7 -4.447 11.510 5.803 1.00 0.00 C ATOM 93 O LYS A 7 -4.828 11.963 6.882 1.00 0.00 O ATOM 94 CB LYS A 7 -6.886 10.889 5.321 1.00 0.00 C ATOM 95 CG LYS A 7 -7.885 10.637 4.191 1.00 0.00 C ATOM 96 CD LYS A 7 -9.324 10.790 4.687 1.00 0.00 C ATOM 97 CE LYS A 7 -10.152 11.634 3.716 1.00 0.00 C ATOM 98 NZ LYS A 7 -11.567 11.200 3.728 1.00 0.00 N ATOM 0 H LYS A 7 -4.773 9.023 4.994 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.501 11.723 3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.945 10.081 6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.147 11.809 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.701 11.337 3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.740 9.634 3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.780 9.806 4.800 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.325 11.257 5.672 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.086 12.686 3.992 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.746 11.543 2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.115 11.783 3.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.626 10.202 3.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.956 11.310 4.686 1.00 0.00 H new ATOM 112 N GLY A 8 -3.179 11.428 5.429 1.00 0.00 N ATOM 113 CA GLY A 8 -2.110 11.884 6.301 1.00 0.00 C ATOM 114 C GLY A 8 -0.818 12.110 5.514 1.00 0.00 C ATOM 115 O GLY A 8 0.274 12.060 6.078 1.00 0.00 O ATOM 0 H GLY A 8 -2.868 11.052 4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.407 12.810 6.792 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.938 11.148 7.086 1.00 0.00 H new ATOM 119 N MET A 9 -0.985 12.352 4.222 1.00 0.00 N ATOM 120 CA MET A 9 0.155 12.586 3.351 1.00 0.00 C ATOM 121 C MET A 9 0.735 13.984 3.571 1.00 0.00 C ATOM 122 O MET A 9 0.023 14.898 3.985 1.00 0.00 O ATOM 123 CB MET A 9 -0.279 12.436 1.892 1.00 0.00 C ATOM 124 CG MET A 9 0.564 11.379 1.175 1.00 0.00 C ATOM 125 SD MET A 9 0.468 11.616 -0.591 1.00 0.00 S ATOM 126 CE MET A 9 -0.961 10.613 -0.962 1.00 0.00 C ATOM 0 H MET A 9 -1.892 12.391 3.757 1.00 0.00 H new ATOM 0 HA MET A 9 0.926 11.853 3.587 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.332 12.157 1.849 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.181 13.393 1.380 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.601 11.445 1.503 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.210 10.382 1.436 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.163 10.649 -2.033 1.00 0.00 H new ATOM 0 HE2 MET A 9 -0.770 9.582 -0.664 1.00 0.00 H new ATOM 0 HE3 MET A 9 -1.824 10.994 -0.417 1.00 0.00 H new ATOM 136 N SER A 10 2.022 14.108 3.282 1.00 0.00 N ATOM 137 CA SER A 10 2.706 15.379 3.443 1.00 0.00 C ATOM 138 C SER A 10 3.233 15.865 2.091 1.00 0.00 C ATOM 139 O SER A 10 3.233 17.063 1.814 1.00 0.00 O ATOM 140 CB SER A 10 3.853 15.265 4.449 1.00 0.00 C ATOM 141 OG SER A 10 3.379 15.073 5.779 1.00 0.00 O ATOM 0 H SER A 10 2.609 13.349 2.937 1.00 0.00 H new ATOM 0 HA SER A 10 1.991 16.105 3.830 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.498 14.432 4.170 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.462 16.168 4.408 1.00 0.00 H new ATOM 0 HG SER A 10 4.141 15.003 6.391 1.00 0.00 H new ATOM 147 N CYS A 11 3.670 14.909 1.284 1.00 0.00 N ATOM 148 CA CYS A 11 4.198 15.223 -0.033 1.00 0.00 C ATOM 149 C CYS A 11 5.693 15.517 0.107 1.00 0.00 C ATOM 150 O CYS A 11 6.167 16.564 -0.330 1.00 0.00 O ATOM 151 CB CYS A 11 3.446 16.388 -0.680 1.00 0.00 C ATOM 152 SG CYS A 11 3.696 16.364 -2.493 1.00 0.00 S ATOM 0 H CYS A 11 3.669 13.916 1.517 1.00 0.00 H new ATOM 0 HA CYS A 11 4.057 14.371 -0.698 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.383 16.318 -0.450 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.799 17.333 -0.268 1.00 0.00 H new ATOM 0 HG CYS A 11 2.952 17.276 -3.046 1.00 0.00 H new ATOM 158 N ASN A 12 6.394 14.574 0.719 1.00 0.00 N ATOM 159 CA ASN A 12 7.825 14.718 0.922 1.00 0.00 C ATOM 160 C ASN A 12 8.454 13.334 1.092 1.00 0.00 C ATOM 161 O ASN A 12 8.906 12.983 2.181 1.00 0.00 O ATOM 162 CB ASN A 12 8.124 15.531 2.184 1.00 0.00 C ATOM 163 CG ASN A 12 6.885 15.632 3.077 1.00 0.00 C ATOM 164 OD1 ASN A 12 5.884 16.236 2.729 1.00 0.00 O ATOM 165 ND2 ASN A 12 7.008 15.007 4.244 1.00 0.00 N ATOM 0 H ASN A 12 5.997 13.707 1.081 1.00 0.00 H new ATOM 0 HA ASN A 12 8.238 15.233 0.055 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.939 15.064 2.737 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.459 16.530 1.906 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.236 15.015 4.911 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.874 14.520 4.473 1.00 0.00 H new ATOM 172 N HIS A 13 8.463 12.585 -0.001 1.00 0.00 N ATOM 173 CA HIS A 13 9.029 11.247 0.014 1.00 0.00 C ATOM 174 C HIS A 13 8.043 10.279 0.670 1.00 0.00 C ATOM 175 O HIS A 13 8.324 9.088 0.792 1.00 0.00 O ATOM 176 CB HIS A 13 10.401 11.244 0.691 1.00 0.00 C ATOM 177 CG HIS A 13 11.376 10.253 0.102 1.00 0.00 C ATOM 178 ND1 HIS A 13 11.350 9.878 -1.230 1.00 0.00 N ATOM 179 CD2 HIS A 13 12.404 9.565 0.676 1.00 0.00 C ATOM 180 CE1 HIS A 13 12.322 9.002 -1.437 1.00 0.00 C ATOM 181 NE2 HIS A 13 12.974 8.809 -0.255 1.00 0.00 N ATOM 0 H HIS A 13 8.087 12.879 -0.903 1.00 0.00 H new ATOM 0 HA HIS A 13 9.192 10.907 -1.009 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.830 12.244 0.623 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.271 11.024 1.751 1.00 0.00 H new ATOM 0 HD2 HIS A 13 12.704 9.625 1.712 1.00 0.00 H new ATOM 0 HE1 HIS A 13 12.557 8.525 -2.377 1.00 0.00 H new ATOM 0 HE2 HIS A 13 13.769 8.186 -0.110 1.00 0.00 H new ATOM 189 N CYS A 14 6.906 10.828 1.075 1.00 0.00 N ATOM 190 CA CYS A 14 5.876 10.028 1.715 1.00 0.00 C ATOM 191 C CYS A 14 5.332 9.033 0.688 1.00 0.00 C ATOM 192 O CYS A 14 5.396 7.822 0.898 1.00 0.00 O ATOM 193 CB CYS A 14 4.767 10.901 2.306 1.00 0.00 C ATOM 194 SG CYS A 14 5.303 11.591 3.914 1.00 0.00 S ATOM 0 H CYS A 14 6.676 11.816 0.972 1.00 0.00 H new ATOM 0 HA CYS A 14 6.306 9.483 2.555 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.523 11.710 1.617 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.860 10.311 2.438 1.00 0.00 H new ATOM 0 HG CYS A 14 4.755 10.915 4.880 1.00 0.00 H new ATOM 200 N VAL A 15 4.810 9.580 -0.400 1.00 0.00 N ATOM 201 CA VAL A 15 4.256 8.755 -1.460 1.00 0.00 C ATOM 202 C VAL A 15 5.157 7.538 -1.677 1.00 0.00 C ATOM 203 O VAL A 15 4.678 6.406 -1.721 1.00 0.00 O ATOM 204 CB VAL A 15 4.064 9.591 -2.727 1.00 0.00 C ATOM 205 CG1 VAL A 15 4.097 8.708 -3.976 1.00 0.00 C ATOM 206 CG2 VAL A 15 2.767 10.398 -2.660 1.00 0.00 C ATOM 0 H VAL A 15 4.759 10.584 -0.570 1.00 0.00 H new ATOM 0 HA VAL A 15 3.270 8.383 -1.180 1.00 0.00 H new ATOM 0 HB VAL A 15 4.893 10.295 -2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.958 9.327 -4.863 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.059 8.198 -4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.298 7.969 -3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.655 10.983 -3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.921 9.719 -2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.799 11.068 -1.801 1.00 0.00 H new ATOM 216 N ALA A 16 6.447 7.812 -1.808 1.00 0.00 N ATOM 217 CA ALA A 16 7.419 6.753 -2.020 1.00 0.00 C ATOM 218 C ALA A 16 7.471 5.858 -0.780 1.00 0.00 C ATOM 219 O ALA A 16 7.262 4.650 -0.874 1.00 0.00 O ATOM 220 CB ALA A 16 8.780 7.369 -2.352 1.00 0.00 C ATOM 0 H ALA A 16 6.841 8.752 -1.771 1.00 0.00 H new ATOM 0 HA ALA A 16 7.128 6.129 -2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.510 6.575 -2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.696 7.971 -3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.105 8.000 -1.525 1.00 0.00 H new ATOM 226 N ARG A 17 7.750 6.486 0.352 1.00 0.00 N ATOM 227 CA ARG A 17 7.831 5.762 1.609 1.00 0.00 C ATOM 228 C ARG A 17 6.659 4.786 1.736 1.00 0.00 C ATOM 229 O ARG A 17 6.853 3.618 2.068 1.00 0.00 O ATOM 230 CB ARG A 17 7.818 6.722 2.800 1.00 0.00 C ATOM 231 CG ARG A 17 9.036 6.498 3.699 1.00 0.00 C ATOM 232 CD ARG A 17 9.504 7.812 4.327 1.00 0.00 C ATOM 233 NE ARG A 17 10.950 7.740 4.633 1.00 0.00 N ATOM 234 CZ ARG A 17 11.470 7.019 5.635 1.00 0.00 C ATOM 235 NH1 ARG A 17 10.667 6.303 6.434 1.00 0.00 N ATOM 236 NH2 ARG A 17 12.795 7.013 5.838 1.00 0.00 N ATOM 0 H ARG A 17 7.923 7.489 0.425 1.00 0.00 H new ATOM 0 HA ARG A 17 8.771 5.209 1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.811 7.751 2.442 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.904 6.579 3.377 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.786 5.784 4.484 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.847 6.060 3.116 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.309 8.640 3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.940 8.010 5.239 1.00 0.00 H new ATOM 0 HE ARG A 17 11.591 8.272 4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.659 6.307 6.279 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.064 5.754 7.197 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.407 7.557 5.230 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.192 6.464 6.601 1.00 0.00 H new ATOM 250 N ILE A 18 5.469 5.302 1.466 1.00 0.00 N ATOM 251 CA ILE A 18 4.266 4.491 1.546 1.00 0.00 C ATOM 252 C ILE A 18 4.341 3.372 0.506 1.00 0.00 C ATOM 253 O ILE A 18 4.264 2.193 0.850 1.00 0.00 O ATOM 254 CB ILE A 18 3.019 5.368 1.417 1.00 0.00 C ATOM 255 CG1 ILE A 18 3.039 6.503 2.443 1.00 0.00 C ATOM 256 CG2 ILE A 18 1.745 4.528 1.516 1.00 0.00 C ATOM 257 CD1 ILE A 18 1.999 7.571 2.099 1.00 0.00 C ATOM 0 H ILE A 18 5.312 6.272 1.192 1.00 0.00 H new ATOM 0 HA ILE A 18 4.192 4.014 2.523 1.00 0.00 H new ATOM 0 HB ILE A 18 3.025 5.827 0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.840 6.103 3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.031 6.953 2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.874 5.176 1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.735 3.787 0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.717 4.021 2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.034 8.366 2.844 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.216 7.986 1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.005 7.123 2.093 1.00 0.00 H new ATOM 269 N GLU A 19 4.490 3.780 -0.746 1.00 0.00 N ATOM 270 CA GLU A 19 4.576 2.826 -1.839 1.00 0.00 C ATOM 271 C GLU A 19 5.600 1.737 -1.513 1.00 0.00 C ATOM 272 O GLU A 19 5.288 0.548 -1.573 1.00 0.00 O ATOM 273 CB GLU A 19 4.921 3.528 -3.154 1.00 0.00 C ATOM 274 CG GLU A 19 4.406 2.730 -4.353 1.00 0.00 C ATOM 275 CD GLU A 19 5.230 3.032 -5.607 1.00 0.00 C ATOM 276 OE1 GLU A 19 6.327 2.444 -5.720 1.00 0.00 O ATOM 277 OE2 GLU A 19 4.743 3.843 -6.424 1.00 0.00 O ATOM 0 H GLU A 19 4.553 4.758 -1.028 1.00 0.00 H new ATOM 0 HA GLU A 19 3.601 2.355 -1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.484 4.527 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.001 3.652 -3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.452 1.664 -4.131 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.359 2.973 -4.534 1.00 0.00 H new ATOM 284 N GLU A 20 6.802 2.181 -1.176 1.00 0.00 N ATOM 285 CA GLU A 20 7.874 1.259 -0.841 1.00 0.00 C ATOM 286 C GLU A 20 7.527 0.482 0.431 1.00 0.00 C ATOM 287 O GLU A 20 7.704 -0.734 0.487 1.00 0.00 O ATOM 288 CB GLU A 20 9.205 1.997 -0.687 1.00 0.00 C ATOM 289 CG GLU A 20 10.380 1.097 -1.075 1.00 0.00 C ATOM 290 CD GLU A 20 10.486 0.959 -2.595 1.00 0.00 C ATOM 291 OE1 GLU A 20 9.751 0.107 -3.140 1.00 0.00 O ATOM 292 OE2 GLU A 20 11.299 1.708 -3.178 1.00 0.00 O ATOM 0 H GLU A 20 7.057 3.167 -1.128 1.00 0.00 H new ATOM 0 HA GLU A 20 7.984 0.548 -1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.204 2.890 -1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.323 2.330 0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.307 1.512 -0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.253 0.112 -0.625 1.00 0.00 H new ATOM 299 N ALA A 21 7.040 1.216 1.420 1.00 0.00 N ATOM 300 CA ALA A 21 6.668 0.611 2.688 1.00 0.00 C ATOM 301 C ALA A 21 5.645 -0.499 2.437 1.00 0.00 C ATOM 302 O ALA A 21 5.658 -1.524 3.117 1.00 0.00 O ATOM 303 CB ALA A 21 6.136 1.691 3.632 1.00 0.00 C ATOM 0 H ALA A 21 6.894 2.224 1.369 1.00 0.00 H new ATOM 0 HA ALA A 21 7.536 0.158 3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.857 1.238 4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.910 2.440 3.800 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.262 2.166 3.186 1.00 0.00 H new ATOM 309 N VAL A 22 4.785 -0.258 1.459 1.00 0.00 N ATOM 310 CA VAL A 22 3.758 -1.224 1.110 1.00 0.00 C ATOM 311 C VAL A 22 4.402 -2.408 0.386 1.00 0.00 C ATOM 312 O VAL A 22 4.225 -3.557 0.787 1.00 0.00 O ATOM 313 CB VAL A 22 2.659 -0.547 0.288 1.00 0.00 C ATOM 314 CG1 VAL A 22 1.530 -1.529 -0.033 1.00 0.00 C ATOM 315 CG2 VAL A 22 2.121 0.691 1.007 1.00 0.00 C ATOM 0 H VAL A 22 4.778 0.593 0.897 1.00 0.00 H new ATOM 0 HA VAL A 22 3.280 -1.613 2.009 1.00 0.00 H new ATOM 0 HB VAL A 22 3.098 -0.222 -0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.762 -1.022 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.928 -2.367 -0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.094 -1.898 0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.341 1.153 0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.706 0.400 1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.931 1.404 1.161 1.00 0.00 H new ATOM 325 N GLY A 23 5.138 -2.086 -0.668 1.00 0.00 N ATOM 326 CA GLY A 23 5.810 -3.109 -1.452 1.00 0.00 C ATOM 327 C GLY A 23 6.661 -4.013 -0.558 1.00 0.00 C ATOM 328 O GLY A 23 7.022 -5.121 -0.954 1.00 0.00 O ATOM 0 H GLY A 23 5.284 -1.132 -0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.071 -3.709 -1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.441 -2.639 -2.206 1.00 0.00 H new ATOM 332 N ARG A 24 6.957 -3.508 0.630 1.00 0.00 N ATOM 333 CA ARG A 24 7.759 -4.256 1.583 1.00 0.00 C ATOM 334 C ARG A 24 6.926 -5.373 2.217 1.00 0.00 C ATOM 335 O ARG A 24 7.475 -6.322 2.774 1.00 0.00 O ATOM 336 CB ARG A 24 8.298 -3.343 2.686 1.00 0.00 C ATOM 337 CG ARG A 24 8.846 -4.162 3.857 1.00 0.00 C ATOM 338 CD ARG A 24 9.858 -3.351 4.668 1.00 0.00 C ATOM 339 NE ARG A 24 11.120 -4.111 4.807 1.00 0.00 N ATOM 340 CZ ARG A 24 12.033 -4.237 3.834 1.00 0.00 C ATOM 341 NH1 ARG A 24 11.829 -3.654 2.645 1.00 0.00 N ATOM 342 NH2 ARG A 24 13.149 -4.946 4.050 1.00 0.00 N ATOM 0 H ARG A 24 6.656 -2.589 0.955 1.00 0.00 H new ATOM 0 HA ARG A 24 8.600 -4.688 1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.085 -2.706 2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.504 -2.684 3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.025 -4.475 4.502 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.319 -5.069 3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.050 -2.398 4.176 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.450 -3.125 5.653 1.00 0.00 H new ATOM 0 HE ARG A 24 11.307 -4.568 5.700 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.979 -3.115 2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.524 -3.750 1.904 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.304 -5.390 4.955 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.844 -5.042 3.309 1.00 0.00 H new ATOM 356 N ILE A 25 5.614 -5.222 2.110 1.00 0.00 N ATOM 357 CA ILE A 25 4.700 -6.206 2.665 1.00 0.00 C ATOM 358 C ILE A 25 4.885 -7.537 1.934 1.00 0.00 C ATOM 359 O ILE A 25 4.584 -7.644 0.746 1.00 0.00 O ATOM 360 CB ILE A 25 3.264 -5.681 2.633 1.00 0.00 C ATOM 361 CG1 ILE A 25 3.136 -4.382 3.431 1.00 0.00 C ATOM 362 CG2 ILE A 25 2.279 -6.748 3.114 1.00 0.00 C ATOM 363 CD1 ILE A 25 2.074 -3.465 2.822 1.00 0.00 C ATOM 0 H ILE A 25 5.162 -4.433 1.647 1.00 0.00 H new ATOM 0 HA ILE A 25 4.926 -6.385 3.716 1.00 0.00 H new ATOM 0 HB ILE A 25 3.009 -5.450 1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.875 -4.610 4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.097 -3.868 3.451 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.265 -6.349 3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.345 -7.623 2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.523 -7.034 4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.004 -2.549 3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.351 -3.219 1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.110 -3.973 2.826 1.00 0.00 H new ATOM 375 N SER A 26 5.379 -8.518 2.675 1.00 0.00 N ATOM 376 CA SER A 26 5.607 -9.838 2.112 1.00 0.00 C ATOM 377 C SER A 26 4.293 -10.416 1.583 1.00 0.00 C ATOM 378 O SER A 26 3.532 -11.025 2.333 1.00 0.00 O ATOM 379 CB SER A 26 6.222 -10.781 3.149 1.00 0.00 C ATOM 380 OG SER A 26 6.347 -12.111 2.653 1.00 0.00 O ATOM 0 H SER A 26 5.628 -8.425 3.660 1.00 0.00 H new ATOM 0 HA SER A 26 6.312 -9.740 1.286 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.204 -10.409 3.440 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.604 -10.785 4.047 1.00 0.00 H new ATOM 0 HG SER A 26 6.745 -12.682 3.343 1.00 0.00 H new ATOM 386 N GLY A 27 4.067 -10.205 0.294 1.00 0.00 N ATOM 387 CA GLY A 27 2.858 -10.698 -0.344 1.00 0.00 C ATOM 388 C GLY A 27 2.429 -9.777 -1.488 1.00 0.00 C ATOM 389 O GLY A 27 1.654 -10.179 -2.355 1.00 0.00 O ATOM 0 H GLY A 27 4.701 -9.700 -0.325 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.029 -11.704 -0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.057 -10.768 0.392 1.00 0.00 H new ATOM 393 N VAL A 28 2.950 -8.560 -1.453 1.00 0.00 N ATOM 394 CA VAL A 28 2.630 -7.579 -2.477 1.00 0.00 C ATOM 395 C VAL A 28 3.607 -7.729 -3.644 1.00 0.00 C ATOM 396 O VAL A 28 4.819 -7.783 -3.441 1.00 0.00 O ATOM 397 CB VAL A 28 2.631 -6.173 -1.873 1.00 0.00 C ATOM 398 CG1 VAL A 28 2.814 -5.111 -2.959 1.00 0.00 C ATOM 399 CG2 VAL A 28 1.355 -5.921 -1.068 1.00 0.00 C ATOM 0 H VAL A 28 3.592 -8.230 -0.732 1.00 0.00 H new ATOM 0 HA VAL A 28 1.627 -7.749 -2.869 1.00 0.00 H new ATOM 0 HB VAL A 28 3.477 -6.102 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.811 -4.121 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.763 -5.273 -3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.998 -5.182 -3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.381 -4.915 -0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.488 -6.020 -1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.285 -6.648 -0.259 1.00 0.00 H new ATOM 409 N LYS A 29 3.044 -7.792 -4.842 1.00 0.00 N ATOM 410 CA LYS A 29 3.851 -7.935 -6.042 1.00 0.00 C ATOM 411 C LYS A 29 4.328 -6.555 -6.498 1.00 0.00 C ATOM 412 O LYS A 29 5.509 -6.365 -6.783 1.00 0.00 O ATOM 413 CB LYS A 29 3.081 -8.706 -7.116 1.00 0.00 C ATOM 414 CG LYS A 29 4.018 -9.609 -7.921 1.00 0.00 C ATOM 415 CD LYS A 29 4.246 -10.941 -7.203 1.00 0.00 C ATOM 416 CE LYS A 29 5.699 -11.398 -7.344 1.00 0.00 C ATOM 417 NZ LYS A 29 5.914 -12.672 -6.621 1.00 0.00 N ATOM 0 H LYS A 29 2.038 -7.747 -5.007 1.00 0.00 H new ATOM 0 HA LYS A 29 4.742 -8.528 -5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.302 -9.309 -6.648 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.582 -8.005 -7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.594 -9.792 -8.908 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.973 -9.105 -8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.995 -10.837 -6.148 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.581 -11.699 -7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.946 -11.525 -8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.367 -10.632 -6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.905 -12.968 -6.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.698 -12.539 -5.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.290 -13.405 -7.015 1.00 0.00 H new ATOM 431 N LYS A 30 3.384 -5.626 -6.552 1.00 0.00 N ATOM 432 CA LYS A 30 3.693 -4.269 -6.969 1.00 0.00 C ATOM 433 C LYS A 30 2.647 -3.312 -6.393 1.00 0.00 C ATOM 434 O LYS A 30 1.463 -3.641 -6.340 1.00 0.00 O ATOM 435 CB LYS A 30 3.824 -4.192 -8.491 1.00 0.00 C ATOM 436 CG LYS A 30 3.096 -5.357 -9.164 1.00 0.00 C ATOM 437 CD LYS A 30 4.075 -6.469 -9.546 1.00 0.00 C ATOM 438 CE LYS A 30 4.526 -6.325 -11.001 1.00 0.00 C ATOM 439 NZ LYS A 30 5.677 -7.213 -11.277 1.00 0.00 N ATOM 0 H LYS A 30 2.405 -5.787 -6.314 1.00 0.00 H new ATOM 0 HA LYS A 30 4.661 -3.961 -6.573 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.413 -3.247 -8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.878 -4.207 -8.770 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.336 -5.753 -8.491 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.579 -5.001 -10.055 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.943 -6.437 -8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.602 -7.440 -9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.701 -6.571 -11.670 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.802 -5.290 -11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.970 -7.103 -12.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.468 -6.960 -10.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.402 -8.201 -11.105 1.00 0.00 H new ATOM 453 N VAL A 31 3.122 -2.148 -5.975 1.00 0.00 N ATOM 454 CA VAL A 31 2.243 -1.142 -5.405 1.00 0.00 C ATOM 455 C VAL A 31 2.614 0.232 -5.968 1.00 0.00 C ATOM 456 O VAL A 31 3.766 0.469 -6.325 1.00 0.00 O ATOM 457 CB VAL A 31 2.304 -1.198 -3.877 1.00 0.00 C ATOM 458 CG1 VAL A 31 3.750 -1.322 -3.391 1.00 0.00 C ATOM 459 CG2 VAL A 31 1.619 0.020 -3.255 1.00 0.00 C ATOM 0 H VAL A 31 4.105 -1.879 -6.020 1.00 0.00 H new ATOM 0 HA VAL A 31 1.208 -1.339 -5.683 1.00 0.00 H new ATOM 0 HB VAL A 31 1.763 -2.087 -3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.766 -1.360 -2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.192 -2.234 -3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.324 -0.460 -3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.677 -0.045 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.118 0.929 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.573 0.045 -3.562 1.00 0.00 H new ATOM 469 N LYS A 32 1.615 1.100 -6.029 1.00 0.00 N ATOM 470 CA LYS A 32 1.822 2.443 -6.542 1.00 0.00 C ATOM 471 C LYS A 32 1.029 3.438 -5.691 1.00 0.00 C ATOM 472 O LYS A 32 0.191 3.039 -4.883 1.00 0.00 O ATOM 473 CB LYS A 32 1.485 2.505 -8.033 1.00 0.00 C ATOM 474 CG LYS A 32 2.238 3.647 -8.719 1.00 0.00 C ATOM 475 CD LYS A 32 2.932 3.160 -9.992 1.00 0.00 C ATOM 476 CE LYS A 32 2.583 4.055 -11.183 1.00 0.00 C ATOM 477 NZ LYS A 32 3.765 4.243 -12.054 1.00 0.00 N ATOM 0 H LYS A 32 0.660 0.899 -5.732 1.00 0.00 H new ATOM 0 HA LYS A 32 2.873 2.722 -6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.743 1.558 -8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.412 2.644 -8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.543 4.450 -8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.977 4.063 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.012 3.153 -9.842 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.633 2.134 -10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.770 3.608 -11.755 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.229 5.022 -10.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.511 4.853 -12.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.530 4.689 -11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.086 3.319 -12.408 1.00 0.00 H new ATOM 491 N VAL A 33 1.322 4.713 -5.901 1.00 0.00 N ATOM 492 CA VAL A 33 0.647 5.767 -5.163 1.00 0.00 C ATOM 493 C VAL A 33 0.402 6.957 -6.092 1.00 0.00 C ATOM 494 O VAL A 33 1.261 7.306 -6.900 1.00 0.00 O ATOM 495 CB VAL A 33 1.458 6.136 -3.919 1.00 0.00 C ATOM 496 CG1 VAL A 33 0.893 7.391 -3.249 1.00 0.00 C ATOM 497 CG2 VAL A 33 1.514 4.967 -2.934 1.00 0.00 C ATOM 0 H VAL A 33 2.018 5.040 -6.572 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.326 5.424 -4.810 1.00 0.00 H new ATOM 0 HB VAL A 33 2.477 6.355 -4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.487 7.632 -2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.929 8.225 -3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.140 7.211 -2.952 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.096 5.256 -2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.503 4.702 -2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.983 4.108 -3.415 1.00 0.00 H new ATOM 507 N GLN A 34 -0.776 7.548 -5.947 1.00 0.00 N ATOM 508 CA GLN A 34 -1.145 8.691 -6.763 1.00 0.00 C ATOM 509 C GLN A 34 -1.388 9.917 -5.881 1.00 0.00 C ATOM 510 O GLN A 34 -2.396 9.991 -5.179 1.00 0.00 O ATOM 511 CB GLN A 34 -2.374 8.380 -7.620 1.00 0.00 C ATOM 512 CG GLN A 34 -2.161 7.107 -8.441 1.00 0.00 C ATOM 513 CD GLN A 34 -3.008 5.955 -7.896 1.00 0.00 C ATOM 514 OE1 GLN A 34 -3.556 6.014 -6.808 1.00 0.00 O ATOM 515 NE2 GLN A 34 -3.083 4.906 -8.710 1.00 0.00 N ATOM 0 H GLN A 34 -1.487 7.256 -5.276 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.318 8.912 -7.438 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -3.248 8.262 -6.980 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -2.578 9.218 -8.287 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.422 7.294 -9.483 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.107 6.829 -8.421 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.600 4.922 -9.608 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.624 4.086 -8.436 1.00 0.00 H new ATOM 524 N LEU A 35 -0.448 10.848 -5.944 1.00 0.00 N ATOM 525 CA LEU A 35 -0.547 12.067 -5.159 1.00 0.00 C ATOM 526 C LEU A 35 -1.749 12.882 -5.641 1.00 0.00 C ATOM 527 O LEU A 35 -2.250 12.664 -6.742 1.00 0.00 O ATOM 528 CB LEU A 35 0.774 12.838 -5.197 1.00 0.00 C ATOM 529 CG LEU A 35 0.790 14.178 -4.458 1.00 0.00 C ATOM 530 CD1 LEU A 35 0.482 13.987 -2.971 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.115 14.910 -4.679 1.00 0.00 C ATOM 0 H LEU A 35 0.387 10.783 -6.527 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.721 11.831 -4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.554 12.204 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.037 13.017 -6.239 1.00 0.00 H new ATOM 0 HG LEU A 35 0.002 14.807 -4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.500 14.954 -2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.505 13.538 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.231 13.333 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.100 15.859 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.936 14.297 -4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.254 15.097 -5.744 1.00 0.00 H new ATOM 543 N LYS A 36 -2.177 13.804 -4.791 1.00 0.00 N ATOM 544 CA LYS A 36 -3.311 14.653 -5.116 1.00 0.00 C ATOM 545 C LYS A 36 -4.534 13.777 -5.396 1.00 0.00 C ATOM 546 O LYS A 36 -5.518 14.245 -5.966 1.00 0.00 O ATOM 547 CB LYS A 36 -2.958 15.602 -6.263 1.00 0.00 C ATOM 548 CG LYS A 36 -3.871 16.829 -6.260 1.00 0.00 C ATOM 549 CD LYS A 36 -3.182 18.028 -6.914 1.00 0.00 C ATOM 550 CE LYS A 36 -3.319 19.280 -6.047 1.00 0.00 C ATOM 551 NZ LYS A 36 -2.087 19.500 -5.256 1.00 0.00 N ATOM 0 H LYS A 36 -1.759 13.982 -3.878 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.564 15.293 -4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.919 15.917 -6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.050 15.078 -7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.794 16.601 -6.793 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.147 17.078 -5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.127 17.804 -7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.619 18.212 -7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.513 20.147 -6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.174 19.175 -5.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.197 20.354 -4.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.919 18.679 -4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.279 19.621 -5.899 1.00 0.00 H new ATOM 565 N LYS A 37 -4.431 12.523 -4.982 1.00 0.00 N ATOM 566 CA LYS A 37 -5.517 11.578 -5.181 1.00 0.00 C ATOM 567 C LYS A 37 -5.977 11.044 -3.823 1.00 0.00 C ATOM 568 O LYS A 37 -7.166 10.802 -3.618 1.00 0.00 O ATOM 569 CB LYS A 37 -5.100 10.482 -6.164 1.00 0.00 C ATOM 570 CG LYS A 37 -6.240 10.147 -7.127 1.00 0.00 C ATOM 571 CD LYS A 37 -5.882 8.945 -8.003 1.00 0.00 C ATOM 572 CE LYS A 37 -6.938 8.723 -9.088 1.00 0.00 C ATOM 573 NZ LYS A 37 -6.328 8.103 -10.286 1.00 0.00 N ATOM 0 H LYS A 37 -3.613 12.139 -4.510 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.375 12.073 -5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.226 10.808 -6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.809 9.587 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.147 9.932 -6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.454 11.010 -7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.908 9.105 -8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.798 8.052 -7.384 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.733 8.083 -8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.397 9.674 -9.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.058 7.959 -11.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.586 8.728 -10.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.911 7.186 -10.028 1.00 0.00 H new ATOM 587 N GLU A 38 -5.012 10.875 -2.931 1.00 0.00 N ATOM 588 CA GLU A 38 -5.304 10.374 -1.599 1.00 0.00 C ATOM 589 C GLU A 38 -5.729 8.906 -1.665 1.00 0.00 C ATOM 590 O GLU A 38 -6.664 8.495 -0.979 1.00 0.00 O ATOM 591 CB GLU A 38 -6.376 11.225 -0.915 1.00 0.00 C ATOM 592 CG GLU A 38 -5.742 12.356 -0.103 1.00 0.00 C ATOM 593 CD GLU A 38 -6.752 12.961 0.875 1.00 0.00 C ATOM 594 OE1 GLU A 38 -7.610 12.189 1.354 1.00 0.00 O ATOM 595 OE2 GLU A 38 -6.642 14.182 1.121 1.00 0.00 O ATOM 0 H GLU A 38 -4.027 11.076 -3.105 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.396 10.442 -1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.047 11.643 -1.665 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.981 10.597 -0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.881 11.976 0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.374 13.130 -0.776 1.00 0.00 H new ATOM 602 N LYS A 39 -5.023 8.155 -2.498 1.00 0.00 N ATOM 603 CA LYS A 39 -5.316 6.742 -2.664 1.00 0.00 C ATOM 604 C LYS A 39 -4.060 6.019 -3.155 1.00 0.00 C ATOM 605 O LYS A 39 -3.279 6.577 -3.924 1.00 0.00 O ATOM 606 CB LYS A 39 -6.532 6.549 -3.573 1.00 0.00 C ATOM 607 CG LYS A 39 -6.864 7.840 -4.324 1.00 0.00 C ATOM 608 CD LYS A 39 -8.051 7.635 -5.268 1.00 0.00 C ATOM 609 CE LYS A 39 -9.128 8.695 -5.033 1.00 0.00 C ATOM 610 NZ LYS A 39 -10.223 8.550 -6.019 1.00 0.00 N ATOM 0 H LYS A 39 -4.248 8.499 -3.065 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.588 6.295 -1.708 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.334 5.749 -4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.391 6.239 -2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.095 8.631 -3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.994 8.168 -4.893 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.710 7.681 -6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.474 6.642 -5.116 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.526 8.600 -4.023 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.690 9.690 -5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.946 9.278 -5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.842 8.663 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.652 7.607 -5.926 1.00 0.00 H new ATOM 624 N ALA A 40 -3.905 4.788 -2.691 1.00 0.00 N ATOM 625 CA ALA A 40 -2.757 3.983 -3.073 1.00 0.00 C ATOM 626 C ALA A 40 -3.243 2.659 -3.667 1.00 0.00 C ATOM 627 O ALA A 40 -4.140 2.021 -3.119 1.00 0.00 O ATOM 628 CB ALA A 40 -1.849 3.779 -1.859 1.00 0.00 C ATOM 0 H ALA A 40 -4.555 4.328 -2.054 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.169 4.491 -3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.988 3.175 -2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.507 4.747 -1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.404 3.269 -1.071 1.00 0.00 H new ATOM 634 N VAL A 41 -2.629 2.286 -4.780 1.00 0.00 N ATOM 635 CA VAL A 41 -2.988 1.050 -5.455 1.00 0.00 C ATOM 636 C VAL A 41 -1.995 -0.046 -5.062 1.00 0.00 C ATOM 637 O VAL A 41 -0.785 0.174 -5.073 1.00 0.00 O ATOM 638 CB VAL A 41 -3.058 1.280 -6.966 1.00 0.00 C ATOM 639 CG1 VAL A 41 -1.755 1.887 -7.489 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.393 -0.018 -7.703 1.00 0.00 C ATOM 0 H VAL A 41 -1.885 2.818 -5.232 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.979 0.718 -5.145 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.860 1.992 -7.160 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.831 2.040 -8.565 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.576 2.844 -6.998 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.927 1.210 -7.277 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.437 0.173 -8.775 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.623 -0.762 -7.498 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.358 -0.392 -7.361 1.00 0.00 H new ATOM 650 N VAL A 42 -2.544 -1.204 -4.725 1.00 0.00 N ATOM 651 CA VAL A 42 -1.722 -2.335 -4.331 1.00 0.00 C ATOM 652 C VAL A 42 -2.015 -3.520 -5.254 1.00 0.00 C ATOM 653 O VAL A 42 -3.148 -3.701 -5.696 1.00 0.00 O ATOM 654 CB VAL A 42 -1.951 -2.658 -2.853 1.00 0.00 C ATOM 655 CG1 VAL A 42 -3.377 -3.160 -2.616 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.922 -3.671 -2.347 1.00 0.00 C ATOM 0 H VAL A 42 -3.548 -1.383 -4.717 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.664 -2.094 -4.438 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.821 -1.737 -2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.513 -3.382 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.088 -2.392 -2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.547 -4.064 -3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.107 -3.883 -1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.005 -4.593 -2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.081 -3.260 -2.463 1.00 0.00 H new ATOM 666 N LYS A 43 -0.974 -4.296 -5.516 1.00 0.00 N ATOM 667 CA LYS A 43 -1.106 -5.458 -6.378 1.00 0.00 C ATOM 668 C LYS A 43 -0.580 -6.694 -5.645 1.00 0.00 C ATOM 669 O LYS A 43 0.502 -7.189 -5.953 1.00 0.00 O ATOM 670 CB LYS A 43 -0.424 -5.206 -7.725 1.00 0.00 C ATOM 671 CG LYS A 43 -0.879 -6.228 -8.769 1.00 0.00 C ATOM 672 CD LYS A 43 -0.575 -5.736 -10.186 1.00 0.00 C ATOM 673 CE LYS A 43 -1.866 -5.436 -10.951 1.00 0.00 C ATOM 674 NZ LYS A 43 -1.999 -6.338 -12.117 1.00 0.00 N ATOM 0 H LYS A 43 -0.036 -4.143 -5.147 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.155 -5.645 -6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.656 -4.199 -8.071 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.658 -5.260 -7.605 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.377 -7.180 -8.595 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.949 -6.409 -8.664 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.041 -4.838 -10.139 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.002 -6.490 -10.721 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.724 -5.558 -10.290 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.865 -4.398 -11.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.880 -6.121 -12.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.189 -6.202 -12.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.021 -7.325 -11.791 1.00 0.00 H new ATOM 688 N PHE A 44 -1.372 -7.156 -4.688 1.00 0.00 N ATOM 689 CA PHE A 44 -1.000 -8.324 -3.909 1.00 0.00 C ATOM 690 C PHE A 44 -2.043 -9.435 -4.054 1.00 0.00 C ATOM 691 O PHE A 44 -2.868 -9.402 -4.966 1.00 0.00 O ATOM 692 CB PHE A 44 -0.941 -7.885 -2.444 1.00 0.00 C ATOM 693 CG PHE A 44 -2.314 -7.672 -1.803 1.00 0.00 C ATOM 694 CD1 PHE A 44 -2.955 -6.481 -1.948 1.00 0.00 C ATOM 695 CD2 PHE A 44 -2.893 -8.673 -1.087 1.00 0.00 C ATOM 696 CE1 PHE A 44 -4.229 -6.283 -1.352 1.00 0.00 C ATOM 697 CE2 PHE A 44 -4.167 -8.475 -0.492 1.00 0.00 C ATOM 698 CZ PHE A 44 -4.808 -7.285 -0.637 1.00 0.00 C ATOM 0 H PHE A 44 -2.269 -6.742 -4.435 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.043 -8.713 -4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.397 -8.636 -1.872 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.372 -6.958 -2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.495 -5.686 -2.516 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.384 -9.618 -0.971 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.738 -5.337 -1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.627 -9.270 0.076 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.777 -7.135 -0.184 1.00 0.00 H new ATOM 708 N ASP A 45 -1.973 -10.392 -3.140 1.00 0.00 N ATOM 709 CA ASP A 45 -2.900 -11.510 -3.155 1.00 0.00 C ATOM 710 C ASP A 45 -3.252 -11.894 -1.717 1.00 0.00 C ATOM 711 O ASP A 45 -2.409 -11.812 -0.824 1.00 0.00 O ATOM 712 CB ASP A 45 -2.278 -12.733 -3.832 1.00 0.00 C ATOM 713 CG ASP A 45 -3.281 -13.721 -4.431 1.00 0.00 C ATOM 714 OD1 ASP A 45 -4.123 -14.217 -3.652 1.00 0.00 O ATOM 715 OD2 ASP A 45 -3.183 -13.958 -5.654 1.00 0.00 O ATOM 0 H ASP A 45 -1.288 -10.416 -2.384 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.788 -11.204 -3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.611 -12.391 -4.623 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.663 -13.260 -3.102 1.00 0.00 H new ATOM 720 N GLU A 46 -4.499 -12.306 -1.536 1.00 0.00 N ATOM 721 CA GLU A 46 -4.972 -12.703 -0.221 1.00 0.00 C ATOM 722 C GLU A 46 -4.341 -14.034 0.191 1.00 0.00 C ATOM 723 O GLU A 46 -4.429 -14.435 1.351 1.00 0.00 O ATOM 724 CB GLU A 46 -6.500 -12.788 -0.191 1.00 0.00 C ATOM 725 CG GLU A 46 -7.048 -12.322 1.159 1.00 0.00 C ATOM 726 CD GLU A 46 -8.299 -11.460 0.975 1.00 0.00 C ATOM 727 OE1 GLU A 46 -8.226 -10.523 0.151 1.00 0.00 O ATOM 728 OE2 GLU A 46 -9.299 -11.757 1.664 1.00 0.00 O ATOM 0 H GLU A 46 -5.195 -12.373 -2.278 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.669 -11.942 0.498 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.918 -12.174 -0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.815 -13.814 -0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.286 -13.188 1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.284 -11.752 1.689 1.00 0.00 H new ATOM 735 N ALA A 47 -3.719 -14.684 -0.782 1.00 0.00 N ATOM 736 CA ALA A 47 -3.073 -15.962 -0.535 1.00 0.00 C ATOM 737 C ALA A 47 -1.669 -15.719 0.022 1.00 0.00 C ATOM 738 O ALA A 47 -0.894 -16.660 0.193 1.00 0.00 O ATOM 739 CB ALA A 47 -3.054 -16.782 -1.826 1.00 0.00 C ATOM 0 H ALA A 47 -3.649 -14.349 -1.743 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.628 -16.536 0.207 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.569 -17.741 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.076 -16.951 -2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.503 -16.239 -2.594 1.00 0.00 H new ATOM 745 N ASN A 48 -1.384 -14.454 0.291 1.00 0.00 N ATOM 746 CA ASN A 48 -0.086 -14.076 0.826 1.00 0.00 C ATOM 747 C ASN A 48 -0.280 -13.064 1.956 1.00 0.00 C ATOM 748 O ASN A 48 0.247 -13.244 3.053 1.00 0.00 O ATOM 749 CB ASN A 48 0.784 -13.423 -0.250 1.00 0.00 C ATOM 750 CG ASN A 48 2.134 -14.132 -0.369 1.00 0.00 C ATOM 751 OD1 ASN A 48 3.132 -13.722 0.201 1.00 0.00 O ATOM 752 ND2 ASN A 48 2.110 -15.216 -1.139 1.00 0.00 N ATOM 0 H ASN A 48 -2.029 -13.677 0.149 1.00 0.00 H new ATOM 0 HA ASN A 48 0.406 -14.979 1.188 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.267 -13.454 -1.209 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.941 -12.372 -0.007 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.961 -15.759 -1.281 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.240 -15.504 -1.587 1.00 0.00 H new ATOM 759 N VAL A 49 -1.038 -12.021 1.650 1.00 0.00 N ATOM 760 CA VAL A 49 -1.309 -10.980 2.627 1.00 0.00 C ATOM 761 C VAL A 49 -2.678 -10.361 2.340 1.00 0.00 C ATOM 762 O VAL A 49 -3.190 -10.466 1.227 1.00 0.00 O ATOM 763 CB VAL A 49 -0.175 -9.952 2.623 1.00 0.00 C ATOM 764 CG1 VAL A 49 -0.594 -8.671 3.347 1.00 0.00 C ATOM 765 CG2 VAL A 49 1.098 -10.537 3.237 1.00 0.00 C ATOM 0 H VAL A 49 -1.473 -11.875 0.739 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.347 -11.400 3.632 1.00 0.00 H new ATOM 0 HB VAL A 49 0.041 -9.696 1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.230 -7.957 3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.460 -8.237 2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.850 -8.904 4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.888 -9.786 3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.901 -10.836 4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.413 -11.407 2.661 1.00 0.00 H new ATOM 775 N GLN A 50 -3.232 -9.729 3.365 1.00 0.00 N ATOM 776 CA GLN A 50 -4.532 -9.093 3.237 1.00 0.00 C ATOM 777 C GLN A 50 -4.372 -7.576 3.113 1.00 0.00 C ATOM 778 O GLN A 50 -3.472 -6.993 3.716 1.00 0.00 O ATOM 779 CB GLN A 50 -5.438 -9.454 4.416 1.00 0.00 C ATOM 780 CG GLN A 50 -5.376 -10.953 4.715 1.00 0.00 C ATOM 781 CD GLN A 50 -4.872 -11.208 6.137 1.00 0.00 C ATOM 782 OE1 GLN A 50 -4.362 -10.327 6.810 1.00 0.00 O ATOM 783 NE2 GLN A 50 -5.043 -12.459 6.556 1.00 0.00 N ATOM 0 H GLN A 50 -2.804 -9.644 4.287 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.007 -9.464 2.329 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.135 -8.891 5.298 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.465 -9.166 4.192 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.365 -11.393 4.592 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.717 -11.443 3.998 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.477 -13.148 5.942 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.740 -12.729 7.492 1.00 0.00 H new ATOM 792 N ALA A 51 -5.258 -6.981 2.328 1.00 0.00 N ATOM 793 CA ALA A 51 -5.226 -5.544 2.118 1.00 0.00 C ATOM 794 C ALA A 51 -5.302 -4.833 3.471 1.00 0.00 C ATOM 795 O ALA A 51 -4.555 -3.888 3.722 1.00 0.00 O ATOM 796 CB ALA A 51 -6.366 -5.139 1.182 1.00 0.00 C ATOM 0 H ALA A 51 -6.003 -7.468 1.830 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.292 -5.247 1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.342 -4.061 1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.250 -5.648 0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.320 -5.419 1.628 1.00 0.00 H new ATOM 802 N THR A 52 -6.209 -5.315 4.307 1.00 0.00 N ATOM 803 CA THR A 52 -6.392 -4.738 5.628 1.00 0.00 C ATOM 804 C THR A 52 -5.045 -4.597 6.339 1.00 0.00 C ATOM 805 O THR A 52 -4.750 -3.551 6.915 1.00 0.00 O ATOM 806 CB THR A 52 -7.394 -5.608 6.389 1.00 0.00 C ATOM 807 OG1 THR A 52 -8.575 -4.813 6.442 1.00 0.00 O ATOM 808 CG2 THR A 52 -7.007 -5.798 7.858 1.00 0.00 C ATOM 0 H THR A 52 -6.826 -6.099 4.095 1.00 0.00 H new ATOM 0 HA THR A 52 -6.798 -3.728 5.567 1.00 0.00 H new ATOM 0 HB THR A 52 -7.471 -6.581 5.904 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.278 -5.303 6.918 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.751 -6.423 8.352 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.031 -6.280 7.918 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.963 -4.827 8.351 1.00 0.00 H new ATOM 816 N GLU A 53 -4.264 -5.665 6.276 1.00 0.00 N ATOM 817 CA GLU A 53 -2.955 -5.674 6.907 1.00 0.00 C ATOM 818 C GLU A 53 -2.031 -4.663 6.225 1.00 0.00 C ATOM 819 O GLU A 53 -1.219 -4.016 6.885 1.00 0.00 O ATOM 820 CB GLU A 53 -2.345 -7.077 6.885 1.00 0.00 C ATOM 821 CG GLU A 53 -2.124 -7.601 8.305 1.00 0.00 C ATOM 822 CD GLU A 53 -0.648 -7.515 8.698 1.00 0.00 C ATOM 823 OE1 GLU A 53 0.173 -8.087 7.949 1.00 0.00 O ATOM 824 OE2 GLU A 53 -0.374 -6.879 9.738 1.00 0.00 O ATOM 0 H GLU A 53 -4.513 -6.531 5.797 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.074 -5.382 7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.003 -7.755 6.342 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.396 -7.056 6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.725 -7.023 9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.462 -8.635 8.372 1.00 0.00 H new ATOM 831 N ILE A 54 -2.185 -4.559 4.914 1.00 0.00 N ATOM 832 CA ILE A 54 -1.374 -3.638 4.136 1.00 0.00 C ATOM 833 C ILE A 54 -1.645 -2.207 4.604 1.00 0.00 C ATOM 834 O ILE A 54 -0.733 -1.382 4.650 1.00 0.00 O ATOM 835 CB ILE A 54 -1.609 -3.851 2.639 1.00 0.00 C ATOM 836 CG1 ILE A 54 -1.130 -5.236 2.200 1.00 0.00 C ATOM 837 CG2 ILE A 54 -0.961 -2.733 1.818 1.00 0.00 C ATOM 838 CD1 ILE A 54 -1.833 -5.677 0.915 1.00 0.00 C ATOM 0 H ILE A 54 -2.859 -5.097 4.370 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.314 -3.832 4.299 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.682 -3.808 2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.052 -5.218 2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.324 -5.960 2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.143 -2.908 0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.391 -1.774 2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.113 -2.720 2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.474 -6.665 0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.909 -5.717 1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.617 -4.964 0.119 1.00 0.00 H new ATOM 850 N CYS A 55 -2.902 -1.955 4.938 1.00 0.00 N ATOM 851 CA CYS A 55 -3.304 -0.638 5.401 1.00 0.00 C ATOM 852 C CYS A 55 -2.507 -0.309 6.664 1.00 0.00 C ATOM 853 O CYS A 55 -2.031 0.814 6.827 1.00 0.00 O ATOM 854 CB CYS A 55 -4.813 -0.559 5.641 1.00 0.00 C ATOM 855 SG CYS A 55 -5.575 0.612 4.459 1.00 0.00 S ATOM 0 H CYS A 55 -3.656 -2.641 4.897 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.086 0.103 4.632 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.260 -1.547 5.526 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -5.010 -0.237 6.663 1.00 0.00 H new ATOM 0 HG CYS A 55 -5.270 0.263 3.245 1.00 0.00 H new ATOM 861 N GLN A 56 -2.386 -1.307 7.527 1.00 0.00 N ATOM 862 CA GLN A 56 -1.655 -1.138 8.771 1.00 0.00 C ATOM 863 C GLN A 56 -0.210 -0.725 8.485 1.00 0.00 C ATOM 864 O GLN A 56 0.316 0.189 9.119 1.00 0.00 O ATOM 865 CB GLN A 56 -1.705 -2.413 9.614 1.00 0.00 C ATOM 866 CG GLN A 56 -1.983 -2.089 11.083 1.00 0.00 C ATOM 867 CD GLN A 56 -3.420 -1.597 11.273 1.00 0.00 C ATOM 868 OE1 GLN A 56 -4.382 -2.315 11.062 1.00 0.00 O ATOM 869 NE2 GLN A 56 -3.509 -0.335 11.684 1.00 0.00 N ATOM 0 H GLN A 56 -2.783 -2.237 7.389 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.132 -0.344 9.345 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.481 -3.076 9.231 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.759 -2.947 9.529 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.815 -2.976 11.693 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.285 -1.327 11.430 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.662 0.211 11.842 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.424 0.087 11.841 1.00 0.00 H new ATOM 878 N ALA A 57 0.392 -1.419 7.530 1.00 0.00 N ATOM 879 CA ALA A 57 1.766 -1.136 7.153 1.00 0.00 C ATOM 880 C ALA A 57 1.897 0.345 6.791 1.00 0.00 C ATOM 881 O ALA A 57 2.962 0.936 6.959 1.00 0.00 O ATOM 882 CB ALA A 57 2.180 -2.056 6.002 1.00 0.00 C ATOM 0 H ALA A 57 -0.047 -2.176 7.006 1.00 0.00 H new ATOM 0 HA ALA A 57 2.440 -1.333 7.987 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.211 -1.844 5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.098 -3.095 6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.527 -1.885 5.146 1.00 0.00 H new ATOM 888 N ILE A 58 0.799 0.900 6.301 1.00 0.00 N ATOM 889 CA ILE A 58 0.777 2.301 5.915 1.00 0.00 C ATOM 890 C ILE A 58 0.645 3.169 7.167 1.00 0.00 C ATOM 891 O ILE A 58 1.392 4.131 7.342 1.00 0.00 O ATOM 892 CB ILE A 58 -0.315 2.552 4.874 1.00 0.00 C ATOM 893 CG1 ILE A 58 -0.067 1.729 3.608 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.449 4.046 4.569 1.00 0.00 C ATOM 895 CD1 ILE A 58 -1.385 1.241 3.004 1.00 0.00 C ATOM 0 H ILE A 58 -0.082 0.405 6.162 1.00 0.00 H new ATOM 0 HA ILE A 58 1.714 2.578 5.433 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.266 2.221 5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.471 2.333 2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.567 0.875 3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.232 4.197 3.826 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.707 4.582 5.482 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.497 4.424 4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.180 0.659 2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.909 0.618 3.729 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.007 2.098 2.747 1.00 0.00 H new ATOM 907 N ASN A 59 -0.311 2.799 8.007 1.00 0.00 N ATOM 908 CA ASN A 59 -0.550 3.533 9.238 1.00 0.00 C ATOM 909 C ASN A 59 0.667 3.395 10.154 1.00 0.00 C ATOM 910 O ASN A 59 0.940 4.276 10.967 1.00 0.00 O ATOM 911 CB ASN A 59 -1.767 2.978 9.982 1.00 0.00 C ATOM 912 CG ASN A 59 -3.032 3.761 9.624 1.00 0.00 C ATOM 913 OD1 ASN A 59 -3.057 4.980 9.617 1.00 0.00 O ATOM 914 ND2 ASN A 59 -4.078 2.994 9.330 1.00 0.00 N ATOM 0 H ASN A 59 -0.929 2.001 7.859 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.730 4.576 8.979 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.903 1.926 9.731 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.595 3.029 11.057 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.970 3.422 9.079 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.989 1.978 9.355 1.00 0.00 H new ATOM 921 N GLU A 60 1.367 2.281 9.992 1.00 0.00 N ATOM 922 CA GLU A 60 2.549 2.016 10.794 1.00 0.00 C ATOM 923 C GLU A 60 3.646 3.033 10.474 1.00 0.00 C ATOM 924 O GLU A 60 4.662 3.094 11.165 1.00 0.00 O ATOM 925 CB GLU A 60 3.047 0.586 10.580 1.00 0.00 C ATOM 926 CG GLU A 60 3.193 -0.149 11.914 1.00 0.00 C ATOM 927 CD GLU A 60 1.940 -0.970 12.227 1.00 0.00 C ATOM 928 OE1 GLU A 60 1.570 -1.793 11.362 1.00 0.00 O ATOM 929 OE2 GLU A 60 1.380 -0.756 13.324 1.00 0.00 O ATOM 0 H GLU A 60 1.138 1.552 9.317 1.00 0.00 H new ATOM 0 HA GLU A 60 2.282 2.119 11.846 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.350 0.047 9.938 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.007 0.605 10.064 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.063 -0.805 11.879 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.369 0.571 12.713 1.00 0.00 H new ATOM 936 N LEU A 61 3.405 3.806 9.425 1.00 0.00 N ATOM 937 CA LEU A 61 4.360 4.817 9.005 1.00 0.00 C ATOM 938 C LEU A 61 4.191 6.065 9.874 1.00 0.00 C ATOM 939 O LEU A 61 4.986 6.305 10.782 1.00 0.00 O ATOM 940 CB LEU A 61 4.227 5.090 7.505 1.00 0.00 C ATOM 941 CG LEU A 61 4.271 3.862 6.593 1.00 0.00 C ATOM 942 CD1 LEU A 61 4.399 4.274 5.126 1.00 0.00 C ATOM 943 CD2 LEU A 61 5.383 2.902 7.020 1.00 0.00 C ATOM 0 H LEU A 61 2.562 3.752 8.853 1.00 0.00 H new ATOM 0 HA LEU A 61 5.380 4.461 9.152 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.286 5.612 7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.027 5.768 7.207 1.00 0.00 H new ATOM 0 HG LEU A 61 3.328 3.326 6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.428 3.383 4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.543 4.888 4.845 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.317 4.845 4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.393 2.038 6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.345 3.412 6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.205 2.571 8.043 1.00 0.00 H new ATOM 955 N GLY A 62 3.151 6.826 9.566 1.00 0.00 N ATOM 956 CA GLY A 62 2.868 8.042 10.308 1.00 0.00 C ATOM 957 C GLY A 62 1.803 8.881 9.600 1.00 0.00 C ATOM 958 O GLY A 62 1.895 10.107 9.564 1.00 0.00 O ATOM 0 H GLY A 62 2.494 6.624 8.812 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.528 7.789 11.312 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.782 8.626 10.419 1.00 0.00 H new ATOM 962 N TYR A 63 0.816 8.187 9.053 1.00 0.00 N ATOM 963 CA TYR A 63 -0.266 8.852 8.347 1.00 0.00 C ATOM 964 C TYR A 63 -1.591 8.116 8.555 1.00 0.00 C ATOM 965 O TYR A 63 -1.661 7.163 9.330 1.00 0.00 O ATOM 966 CB TYR A 63 0.104 8.803 6.864 1.00 0.00 C ATOM 967 CG TYR A 63 1.611 8.750 6.600 1.00 0.00 C ATOM 968 CD1 TYR A 63 2.386 9.875 6.799 1.00 0.00 C ATOM 969 CD2 TYR A 63 2.194 7.579 6.164 1.00 0.00 C ATOM 970 CE1 TYR A 63 3.803 9.826 6.550 1.00 0.00 C ATOM 971 CE2 TYR A 63 3.612 7.529 5.916 1.00 0.00 C ATOM 972 CZ TYR A 63 4.346 8.655 6.121 1.00 0.00 C ATOM 973 OH TYR A 63 5.685 8.609 5.887 1.00 0.00 O ATOM 0 H TYR A 63 0.743 7.170 9.084 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.393 9.871 8.712 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.365 7.929 6.412 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.311 9.680 6.367 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.929 10.792 7.141 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.587 6.699 6.008 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.421 10.699 6.700 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.081 6.618 5.575 1.00 0.00 H new ATOM 0 HH TYR A 63 5.938 9.344 5.291 1.00 0.00 H new ATOM 983 N GLN A 64 -2.609 8.585 7.848 1.00 0.00 N ATOM 984 CA GLN A 64 -3.928 7.982 7.945 1.00 0.00 C ATOM 985 C GLN A 64 -4.223 7.148 6.697 1.00 0.00 C ATOM 986 O GLN A 64 -4.383 7.692 5.605 1.00 0.00 O ATOM 987 CB GLN A 64 -5.004 9.049 8.158 1.00 0.00 C ATOM 988 CG GLN A 64 -5.938 8.664 9.307 1.00 0.00 C ATOM 989 CD GLN A 64 -6.566 9.905 9.942 1.00 0.00 C ATOM 990 OE1 GLN A 64 -6.513 11.001 9.409 1.00 0.00 O ATOM 991 NE2 GLN A 64 -7.163 9.673 11.108 1.00 0.00 N ATOM 0 H GLN A 64 -2.547 9.375 7.206 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.941 7.321 8.812 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.533 10.008 8.373 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.581 9.176 7.242 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.723 8.004 8.937 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.382 8.107 10.061 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.171 8.731 11.498 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.613 10.437 11.612 1.00 0.00 H new ATOM 1000 N ALA A 65 -4.286 5.840 6.900 1.00 0.00 N ATOM 1001 CA ALA A 65 -4.559 4.925 5.805 1.00 0.00 C ATOM 1002 C ALA A 65 -5.836 4.139 6.109 1.00 0.00 C ATOM 1003 O ALA A 65 -6.079 3.762 7.254 1.00 0.00 O ATOM 1004 CB ALA A 65 -3.350 4.012 5.588 1.00 0.00 C ATOM 0 H ALA A 65 -4.153 5.392 7.807 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.723 5.474 4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.555 3.326 4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.476 4.617 5.346 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.156 3.442 6.497 1.00 0.00 H new ATOM 1010 N GLU A 66 -6.618 3.914 5.063 1.00 0.00 N ATOM 1011 CA GLU A 66 -7.863 3.179 5.204 1.00 0.00 C ATOM 1012 C GLU A 66 -8.205 2.458 3.899 1.00 0.00 C ATOM 1013 O GLU A 66 -8.140 3.050 2.823 1.00 0.00 O ATOM 1014 CB GLU A 66 -9.002 4.108 5.632 1.00 0.00 C ATOM 1015 CG GLU A 66 -9.784 4.612 4.417 1.00 0.00 C ATOM 1016 CD GLU A 66 -10.655 5.814 4.786 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -10.102 6.935 4.790 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -11.854 5.585 5.055 1.00 0.00 O ATOM 0 H GLU A 66 -6.413 4.228 4.114 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.734 2.431 5.986 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.674 3.578 6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.597 4.955 6.185 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.090 4.891 3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.411 3.811 4.025 1.00 0.00 H new ATOM 1025 N VAL A 67 -8.561 1.189 4.037 1.00 0.00 N ATOM 1026 CA VAL A 67 -8.913 0.381 2.882 1.00 0.00 C ATOM 1027 C VAL A 67 -10.169 0.957 2.226 1.00 0.00 C ATOM 1028 O VAL A 67 -11.204 1.099 2.875 1.00 0.00 O ATOM 1029 CB VAL A 67 -9.073 -1.083 3.297 1.00 0.00 C ATOM 1030 CG1 VAL A 67 -9.555 -1.937 2.122 1.00 0.00 C ATOM 1031 CG2 VAL A 67 -7.769 -1.634 3.877 1.00 0.00 C ATOM 0 H VAL A 67 -8.613 0.701 4.931 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.116 0.409 2.139 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.832 -1.129 4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.660 -2.973 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.519 -1.566 1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.830 -1.882 1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.910 -2.676 4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.981 -1.568 3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.486 -1.051 4.754 1.00 0.00 H new ATOM 1041 N ILE A 68 -10.038 1.273 0.946 1.00 0.00 N ATOM 1042 CA ILE A 68 -11.149 1.830 0.194 1.00 0.00 C ATOM 1043 C ILE A 68 -12.031 0.691 -0.324 1.00 0.00 C ATOM 1044 O ILE A 68 -12.795 0.099 0.436 1.00 0.00 O ATOM 1045 CB ILE A 68 -10.638 2.761 -0.907 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -9.901 3.962 -0.311 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -11.777 3.191 -1.834 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -9.190 4.766 -1.401 1.00 0.00 C ATOM 0 H ILE A 68 -9.178 1.154 0.410 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.773 2.449 0.839 1.00 0.00 H new ATOM 0 HB ILE A 68 -9.919 2.210 -1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.609 4.603 0.215 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.174 3.618 0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.387 3.852 -2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.220 2.310 -2.299 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.537 3.717 -1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.674 5.614 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.466 4.129 -1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.923 5.129 -2.122 1.00 0.00 H new