USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 579 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 70 TYR OH : rot -75:sc= 0.122 USER MOD Set 1.2: A 85 SER OG : rot 140:sc= -1.29! USER MOD Set 2.1: A 66 THR OG1 : rot 110:sc= -0.416 USER MOD Set 2.2: A 69 SER OG : rot 56:sc= -0.708 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -7.07! K(o=-7.1!,f=-0.85) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0224 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 150:sc= 0 USER MOD Single : A 37 SER OG : rot -29:sc= -0.816! USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -4.14! C(o=-4.1!,f=-3.4!) USER MOD Single : A 46 MET CE :methyl 177:sc= -5.91! (180deg=-6!) USER MOD Single : A 52 GLN : amide:sc= -0.779 K(o=-0.78,f=-0.028) USER MOD Single : A 64 HIS : no HE2:sc= -4.22! C(o=-4.2!,f=-5.3!) USER MOD Single : A 65 ASN : amide:sc= -5.26! C(o=-5.3!,f=-7.6!) USER MOD Single : A 78 HIS : no HD1:sc= -9.88! C(o=-9.9!,f=-8!) USER MOD Single : A 79 GLN : amide:sc= -9.51! C(o=-9.5!,f=-8.2!) USER MOD Single : A 81 SER OG : rot 150:sc= -1.47! USER MOD Single : A 83 ASN : amide:sc= 0.00839 X(o=0.0084,f=-0.026) USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 4 -4.308 26.404 -10.480 1.00 0.00 N ATOM 16 CA ASP A 4 -3.247 25.420 -10.655 1.00 0.00 C ATOM 17 C ASP A 4 -2.081 25.705 -9.713 1.00 0.00 C ATOM 18 O ASP A 4 -1.225 26.542 -10.003 1.00 0.00 O ATOM 19 CB ASP A 4 -2.758 25.418 -12.104 1.00 0.00 C ATOM 20 CG ASP A 4 -2.050 24.130 -12.475 1.00 0.00 C ATOM 21 OD1 ASP A 4 -2.383 23.079 -11.888 1.00 0.00 O ATOM 22 OD2 ASP A 4 -1.162 24.172 -13.352 1.00 0.00 O ATOM 0 HA ASP A 4 -3.653 24.437 -10.415 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.607 25.567 -12.771 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.081 26.258 -12.257 1.00 0.00 H new ATOM 27 N ILE A 5 -2.054 25.003 -8.586 1.00 0.00 N ATOM 28 CA ILE A 5 -0.995 25.176 -7.601 1.00 0.00 C ATOM 29 C ILE A 5 -0.099 23.940 -7.556 1.00 0.00 C ATOM 30 O ILE A 5 -0.526 22.843 -7.917 1.00 0.00 O ATOM 31 CB ILE A 5 -1.583 25.479 -6.195 1.00 0.00 C ATOM 32 CG1 ILE A 5 -0.881 26.692 -5.588 1.00 0.00 C ATOM 33 CG2 ILE A 5 -1.485 24.277 -5.259 1.00 0.00 C ATOM 34 CD1 ILE A 5 -0.816 27.873 -6.530 1.00 0.00 C ATOM 0 H ILE A 5 -2.755 24.307 -8.332 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.390 26.031 -7.902 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.643 25.700 -6.319 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.403 26.989 -4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.131 26.411 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.908 24.536 -4.289 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.038 23.439 -5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.439 23.996 -5.135 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.306 28.702 -6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.269 27.591 -7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.827 28.178 -6.801 1.00 0.00 H new ATOM 46 N ASP A 6 1.143 24.117 -7.118 1.00 0.00 N ATOM 47 CA ASP A 6 2.074 23.000 -7.043 1.00 0.00 C ATOM 48 C ASP A 6 1.772 22.109 -5.844 1.00 0.00 C ATOM 49 O ASP A 6 2.561 22.030 -4.903 1.00 0.00 O ATOM 50 CB ASP A 6 3.517 23.484 -6.965 1.00 0.00 C ATOM 51 CG ASP A 6 4.501 22.342 -7.126 1.00 0.00 C ATOM 52 OD1 ASP A 6 4.103 21.180 -6.883 1.00 0.00 O ATOM 53 OD2 ASP A 6 5.665 22.606 -7.492 1.00 0.00 O ATOM 0 H ASP A 6 1.524 25.013 -6.813 1.00 0.00 H new ATOM 0 HA ASP A 6 1.947 22.419 -7.957 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.694 24.229 -7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.684 23.976 -6.007 1.00 0.00 H new ATOM 58 N GLU A 7 0.633 21.429 -5.890 1.00 0.00 N ATOM 59 CA GLU A 7 0.235 20.533 -4.814 1.00 0.00 C ATOM 60 C GLU A 7 1.410 19.661 -4.386 1.00 0.00 C ATOM 61 O GLU A 7 1.462 19.190 -3.250 1.00 0.00 O ATOM 62 CB GLU A 7 -0.933 19.649 -5.262 1.00 0.00 C ATOM 63 CG GLU A 7 -2.078 20.420 -5.907 1.00 0.00 C ATOM 64 CD GLU A 7 -1.927 20.550 -7.409 1.00 0.00 C ATOM 65 OE1 GLU A 7 -0.787 20.427 -7.906 1.00 0.00 O ATOM 66 OE2 GLU A 7 -2.948 20.779 -8.091 1.00 0.00 O ATOM 0 H GLU A 7 -0.031 21.482 -6.662 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.084 21.137 -3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.564 18.907 -5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.315 19.104 -4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.019 19.918 -5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.134 21.415 -5.465 1.00 0.00 H new ATOM 73 N CYS A 8 2.356 19.455 -5.299 1.00 0.00 N ATOM 74 CA CYS A 8 3.530 18.646 -5.008 1.00 0.00 C ATOM 75 C CYS A 8 4.490 19.414 -4.113 1.00 0.00 C ATOM 76 O CYS A 8 5.086 18.852 -3.196 1.00 0.00 O ATOM 77 CB CYS A 8 4.230 18.233 -6.302 1.00 0.00 C ATOM 78 SG CYS A 8 3.407 16.867 -7.182 1.00 0.00 S ATOM 0 H CYS A 8 2.330 19.838 -6.244 1.00 0.00 H new ATOM 0 HA CYS A 8 3.208 17.745 -4.486 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.287 19.097 -6.964 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.254 17.939 -6.072 1.00 0.00 H new ATOM 83 N ARG A 9 4.623 20.710 -4.377 1.00 0.00 N ATOM 84 CA ARG A 9 5.499 21.554 -3.582 1.00 0.00 C ATOM 85 C ARG A 9 5.117 21.453 -2.112 1.00 0.00 C ATOM 86 O ARG A 9 5.977 21.501 -1.232 1.00 0.00 O ATOM 87 CB ARG A 9 5.419 23.008 -4.050 1.00 0.00 C ATOM 88 CG ARG A 9 6.506 23.895 -3.469 1.00 0.00 C ATOM 89 CD ARG A 9 7.069 24.844 -4.514 1.00 0.00 C ATOM 90 NE ARG A 9 8.115 25.704 -3.967 1.00 0.00 N ATOM 91 CZ ARG A 9 7.875 26.866 -3.370 1.00 0.00 C ATOM 92 NH1 ARG A 9 6.630 27.305 -3.244 1.00 0.00 N ATOM 93 NH2 ARG A 9 8.880 27.592 -2.899 1.00 0.00 N ATOM 0 H ARG A 9 4.137 21.194 -5.132 1.00 0.00 H new ATOM 0 HA ARG A 9 6.525 21.210 -3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.483 23.035 -5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.445 23.415 -3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.102 24.469 -2.635 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.308 23.275 -3.070 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.472 24.268 -5.347 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.265 25.461 -4.914 1.00 0.00 H new ATOM 0 HE ARG A 9 9.084 25.395 -4.048 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.854 26.750 -3.606 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.448 28.198 -2.785 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.839 27.258 -2.995 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.694 28.484 -2.441 1.00 0.00 H new ATOM 107 N ILE A 10 3.821 21.294 -1.854 1.00 0.00 N ATOM 108 CA ILE A 10 3.332 21.166 -0.491 1.00 0.00 C ATOM 109 C ILE A 10 4.243 20.244 0.309 1.00 0.00 C ATOM 110 O ILE A 10 4.530 20.492 1.479 1.00 0.00 O ATOM 111 CB ILE A 10 1.896 20.608 -0.468 1.00 0.00 C ATOM 112 CG1 ILE A 10 0.907 21.684 -0.916 1.00 0.00 C ATOM 113 CG2 ILE A 10 1.541 20.086 0.917 1.00 0.00 C ATOM 114 CD1 ILE A 10 0.669 22.755 0.125 1.00 0.00 C ATOM 0 H ILE A 10 3.096 21.251 -2.570 1.00 0.00 H new ATOM 0 HA ILE A 10 3.329 22.159 -0.042 1.00 0.00 H new ATOM 0 HB ILE A 10 1.836 19.772 -1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.279 22.151 -1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.044 21.212 -1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.523 19.697 0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.232 19.289 1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.614 20.897 1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.043 23.485 -0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.268 22.300 1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.610 23.253 0.356 1.00 0.00 H new ATOM 126 N SER A 11 4.687 19.176 -0.341 1.00 0.00 N ATOM 127 CA SER A 11 5.564 18.205 0.292 1.00 0.00 C ATOM 128 C SER A 11 6.294 17.378 -0.762 1.00 0.00 C ATOM 129 O SER A 11 5.743 17.084 -1.821 1.00 0.00 O ATOM 130 CB SER A 11 4.756 17.288 1.209 1.00 0.00 C ATOM 131 OG SER A 11 5.294 17.273 2.520 1.00 0.00 O ATOM 0 H SER A 11 4.452 18.962 -1.310 1.00 0.00 H new ATOM 0 HA SER A 11 6.303 18.741 0.887 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.719 17.624 1.242 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.751 16.276 0.803 1.00 0.00 H new ATOM 0 HG SER A 11 4.758 16.680 3.087 1.00 0.00 H new ATOM 137 N PRO A 12 7.546 16.984 -0.484 1.00 0.00 N ATOM 138 CA PRO A 12 8.348 16.186 -1.399 1.00 0.00 C ATOM 139 C PRO A 12 8.023 14.707 -1.271 1.00 0.00 C ATOM 140 O PRO A 12 8.341 13.905 -2.150 1.00 0.00 O ATOM 141 CB PRO A 12 9.791 16.453 -0.954 1.00 0.00 C ATOM 142 CG PRO A 12 9.705 17.333 0.259 1.00 0.00 C ATOM 143 CD PRO A 12 8.283 17.270 0.744 1.00 0.00 C ATOM 0 HA PRO A 12 8.165 16.446 -2.442 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.304 15.520 -0.721 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.358 16.940 -1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 12 10.393 16.992 1.033 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.984 18.358 0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.143 16.490 1.493 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.967 18.209 1.199 1.00 0.00 H new ATOM 151 N ASP A 13 7.377 14.358 -0.164 1.00 0.00 N ATOM 152 CA ASP A 13 6.991 12.979 0.099 1.00 0.00 C ATOM 153 C ASP A 13 5.476 12.854 0.086 1.00 0.00 C ATOM 154 O ASP A 13 4.908 11.949 0.697 1.00 0.00 O ATOM 155 CB ASP A 13 7.545 12.516 1.447 1.00 0.00 C ATOM 156 CG ASP A 13 8.307 11.209 1.341 1.00 0.00 C ATOM 157 OD1 ASP A 13 8.004 10.418 0.422 1.00 0.00 O ATOM 158 OD2 ASP A 13 9.205 10.975 2.176 1.00 0.00 O ATOM 0 H ASP A 13 7.109 15.016 0.568 1.00 0.00 H new ATOM 0 HA ASP A 13 7.408 12.344 -0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.203 13.286 1.850 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.723 12.398 2.153 1.00 0.00 H new ATOM 163 N LEU A 14 4.829 13.780 -0.611 1.00 0.00 N ATOM 164 CA LEU A 14 3.375 13.790 -0.709 1.00 0.00 C ATOM 165 C LEU A 14 2.821 12.385 -0.921 1.00 0.00 C ATOM 166 O LEU A 14 1.887 11.965 -0.239 1.00 0.00 O ATOM 167 CB LEU A 14 2.928 14.701 -1.852 1.00 0.00 C ATOM 168 CG LEU A 14 1.948 15.805 -1.454 1.00 0.00 C ATOM 169 CD1 LEU A 14 2.403 17.143 -2.009 1.00 0.00 C ATOM 170 CD2 LEU A 14 0.546 15.473 -1.941 1.00 0.00 C ATOM 0 H LEU A 14 5.290 14.536 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 14 2.982 14.172 0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.811 15.162 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.466 14.088 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 14 1.926 15.873 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.695 17.918 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.389 17.385 -1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.452 17.088 -3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.139 16.269 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.551 15.379 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.220 14.533 -1.497 1.00 0.00 H new ATOM 182 N CYS A 15 3.400 11.666 -1.874 1.00 0.00 N ATOM 183 CA CYS A 15 2.962 10.309 -2.184 1.00 0.00 C ATOM 184 C CYS A 15 3.558 9.300 -1.207 1.00 0.00 C ATOM 185 O CYS A 15 3.311 8.102 -1.310 1.00 0.00 O ATOM 186 CB CYS A 15 3.358 9.940 -3.615 1.00 0.00 C ATOM 187 SG CYS A 15 3.561 11.372 -4.722 1.00 0.00 S ATOM 0 H CYS A 15 4.175 11.999 -2.447 1.00 0.00 H new ATOM 0 HA CYS A 15 1.877 10.278 -2.090 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.292 9.379 -3.589 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.599 9.277 -4.031 1.00 0.00 H new ATOM 192 N GLY A 16 4.346 9.793 -0.261 1.00 0.00 N ATOM 193 CA GLY A 16 4.964 8.922 0.715 1.00 0.00 C ATOM 194 C GLY A 16 6.234 8.276 0.195 1.00 0.00 C ATOM 195 O GLY A 16 7.243 8.221 0.899 1.00 0.00 O ATOM 0 H GLY A 16 4.568 10.783 -0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.193 9.494 1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.256 8.145 1.003 1.00 0.00 H new ATOM 199 N ARG A 17 6.184 7.789 -1.041 1.00 0.00 N ATOM 200 CA ARG A 17 7.338 7.145 -1.656 1.00 0.00 C ATOM 201 C ARG A 17 7.432 7.494 -3.137 1.00 0.00 C ATOM 202 O ARG A 17 8.519 7.738 -3.661 1.00 0.00 O ATOM 203 CB ARG A 17 7.248 5.628 -1.490 1.00 0.00 C ATOM 204 CG ARG A 17 8.402 4.881 -2.139 1.00 0.00 C ATOM 205 CD ARG A 17 9.428 4.443 -1.109 1.00 0.00 C ATOM 206 NE ARG A 17 10.188 3.277 -1.552 1.00 0.00 N ATOM 207 CZ ARG A 17 10.839 2.464 -0.727 1.00 0.00 C ATOM 208 NH1 ARG A 17 10.820 2.691 0.580 1.00 0.00 N ATOM 209 NH2 ARG A 17 11.507 1.425 -1.206 1.00 0.00 N ATOM 0 H ARG A 17 5.356 7.828 -1.636 1.00 0.00 H new ATOM 0 HA ARG A 17 8.234 7.510 -1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.221 5.387 -0.427 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.310 5.278 -1.921 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.020 4.008 -2.668 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.880 5.520 -2.881 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.113 5.267 -0.907 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.923 4.211 -0.171 1.00 0.00 H new ATOM 0 HE ARG A 17 10.221 3.075 -2.551 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.306 3.490 0.951 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.320 2.067 1.213 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.522 1.248 -2.210 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.006 0.802 -0.570 1.00 0.00 H new ATOM 223 N GLY A 18 6.286 7.512 -3.807 1.00 0.00 N ATOM 224 CA GLY A 18 6.258 7.826 -5.223 1.00 0.00 C ATOM 225 C GLY A 18 6.719 9.239 -5.517 1.00 0.00 C ATOM 226 O GLY A 18 7.039 10.000 -4.603 1.00 0.00 O ATOM 0 H GLY A 18 5.374 7.314 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.893 7.122 -5.760 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.244 7.693 -5.601 1.00 0.00 H new ATOM 230 N GLN A 19 6.751 9.590 -6.798 1.00 0.00 N ATOM 231 CA GLN A 19 7.172 10.922 -7.216 1.00 0.00 C ATOM 232 C GLN A 19 5.962 11.792 -7.535 1.00 0.00 C ATOM 233 O GLN A 19 5.422 11.741 -8.640 1.00 0.00 O ATOM 234 CB GLN A 19 8.085 10.831 -8.440 1.00 0.00 C ATOM 235 CG GLN A 19 9.348 10.019 -8.198 1.00 0.00 C ATOM 236 CD GLN A 19 10.571 10.635 -8.848 1.00 0.00 C ATOM 237 OE1 GLN A 19 11.463 11.137 -8.166 1.00 0.00 O ATOM 238 NE2 GLN A 19 10.616 10.600 -10.175 1.00 0.00 N ATOM 0 H GLN A 19 6.490 8.970 -7.565 1.00 0.00 H new ATOM 0 HA GLN A 19 7.724 11.379 -6.395 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.529 10.386 -9.265 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.364 11.838 -8.750 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.518 9.929 -7.125 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.206 9.009 -8.584 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.853 10.173 -10.700 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.414 11.000 -10.669 1.00 0.00 H new ATOM 247 N CYS A 20 5.535 12.586 -6.558 1.00 0.00 N ATOM 248 CA CYS A 20 4.383 13.460 -6.738 1.00 0.00 C ATOM 249 C CYS A 20 4.471 14.234 -8.049 1.00 0.00 C ATOM 250 O CYS A 20 5.493 14.849 -8.353 1.00 0.00 O ATOM 251 CB CYS A 20 4.271 14.440 -5.569 1.00 0.00 C ATOM 252 SG CYS A 20 2.864 15.591 -5.698 1.00 0.00 S ATOM 0 H CYS A 20 5.969 12.642 -5.636 1.00 0.00 H new ATOM 0 HA CYS A 20 3.494 12.831 -6.770 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.180 13.874 -4.642 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.194 15.016 -5.502 1.00 0.00 H new ATOM 257 N VAL A 21 3.383 14.211 -8.809 1.00 0.00 N ATOM 258 CA VAL A 21 3.315 14.923 -10.079 1.00 0.00 C ATOM 259 C VAL A 21 2.247 16.008 -10.011 1.00 0.00 C ATOM 260 O VAL A 21 1.309 15.909 -9.220 1.00 0.00 O ATOM 261 CB VAL A 21 3.004 13.971 -11.249 1.00 0.00 C ATOM 262 CG1 VAL A 21 2.615 14.756 -12.492 1.00 0.00 C ATOM 263 CG2 VAL A 21 4.195 13.068 -11.532 1.00 0.00 C ATOM 0 H VAL A 21 2.532 13.704 -8.566 1.00 0.00 H new ATOM 0 HA VAL A 21 4.292 15.373 -10.257 1.00 0.00 H new ATOM 0 HB VAL A 21 2.158 13.344 -10.966 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.399 14.064 -13.306 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.730 15.356 -12.281 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.437 15.411 -12.780 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.958 12.402 -12.362 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.060 13.678 -11.792 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.422 12.476 -10.645 1.00 0.00 H new ATOM 273 N ASN A 22 2.391 17.046 -10.826 1.00 0.00 N ATOM 274 CA ASN A 22 1.430 18.140 -10.821 1.00 0.00 C ATOM 275 C ASN A 22 0.539 18.125 -12.057 1.00 0.00 C ATOM 276 O ASN A 22 0.844 17.470 -13.054 1.00 0.00 O ATOM 277 CB ASN A 22 2.146 19.484 -10.715 1.00 0.00 C ATOM 278 CG ASN A 22 1.534 20.357 -9.643 1.00 0.00 C ATOM 279 OD1 ASN A 22 0.669 21.187 -9.920 1.00 0.00 O ATOM 280 ND2 ASN A 22 1.981 20.172 -8.407 1.00 0.00 N ATOM 0 H ASN A 22 3.156 17.152 -11.492 1.00 0.00 H new ATOM 0 HA ASN A 22 0.792 18.000 -9.948 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.200 19.319 -10.493 1.00 0.00 H new ATOM 0 HB3 ASN A 22 2.099 19.999 -11.675 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.606 20.730 -7.640 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.700 19.472 -8.224 1.00 0.00 H new ATOM 287 N THR A 23 -0.569 18.859 -11.973 1.00 0.00 N ATOM 288 CA THR A 23 -1.523 18.949 -13.071 1.00 0.00 C ATOM 289 C THR A 23 -2.421 20.170 -12.899 1.00 0.00 C ATOM 290 O THR A 23 -2.569 20.693 -11.796 1.00 0.00 O ATOM 291 CB THR A 23 -2.404 17.687 -13.157 1.00 0.00 C ATOM 292 OG1 THR A 23 -3.586 17.859 -12.364 1.00 0.00 O ATOM 293 CG2 THR A 23 -1.644 16.461 -12.679 1.00 0.00 C ATOM 0 H THR A 23 -0.827 19.402 -11.149 1.00 0.00 H new ATOM 0 HA THR A 23 -0.948 19.040 -13.993 1.00 0.00 H new ATOM 0 HB THR A 23 -2.683 17.538 -14.200 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.141 17.054 -12.425 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.287 15.584 -12.749 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.761 16.315 -13.301 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.338 16.604 -11.643 1.00 0.00 H new ATOM 301 N PRO A 24 -3.036 20.640 -13.994 1.00 0.00 N ATOM 302 CA PRO A 24 -3.925 21.804 -13.965 1.00 0.00 C ATOM 303 C PRO A 24 -4.974 21.700 -12.864 1.00 0.00 C ATOM 304 O PRO A 24 -5.886 20.877 -12.937 1.00 0.00 O ATOM 305 CB PRO A 24 -4.594 21.794 -15.348 1.00 0.00 C ATOM 306 CG PRO A 24 -4.216 20.490 -15.977 1.00 0.00 C ATOM 307 CD PRO A 24 -2.920 20.080 -15.342 1.00 0.00 C ATOM 0 HA PRO A 24 -3.378 22.724 -13.756 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.677 21.885 -15.259 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.252 22.633 -15.953 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.987 19.738 -15.808 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.105 20.596 -17.056 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.803 18.997 -15.323 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.060 20.484 -15.877 1.00 0.00 H new ATOM 315 N GLY A 25 -4.838 22.542 -11.843 1.00 0.00 N ATOM 316 CA GLY A 25 -5.780 22.528 -10.741 1.00 0.00 C ATOM 317 C GLY A 25 -5.885 21.164 -10.090 1.00 0.00 C ATOM 318 O GLY A 25 -6.982 20.698 -9.781 1.00 0.00 O ATOM 0 H GLY A 25 -4.092 23.233 -11.761 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.474 23.261 -9.995 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.762 22.832 -11.102 1.00 0.00 H new ATOM 322 N ASP A 26 -4.741 20.524 -9.886 1.00 0.00 N ATOM 323 CA ASP A 26 -4.702 19.203 -9.272 1.00 0.00 C ATOM 324 C ASP A 26 -3.311 18.593 -9.389 1.00 0.00 C ATOM 325 O ASP A 26 -2.417 19.176 -10.004 1.00 0.00 O ATOM 326 CB ASP A 26 -5.723 18.286 -9.933 1.00 0.00 C ATOM 327 CG ASP A 26 -6.688 17.675 -8.935 1.00 0.00 C ATOM 328 OD1 ASP A 26 -6.271 17.425 -7.784 1.00 0.00 O ATOM 329 OD2 ASP A 26 -7.858 17.448 -9.303 1.00 0.00 O ATOM 0 H ASP A 26 -3.826 20.899 -10.137 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.947 19.312 -8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.285 18.850 -10.678 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.201 17.489 -10.463 1.00 0.00 H new ATOM 334 N PHE A 27 -3.130 17.420 -8.793 1.00 0.00 N ATOM 335 CA PHE A 27 -1.843 16.740 -8.830 1.00 0.00 C ATOM 336 C PHE A 27 -2.004 15.236 -8.630 1.00 0.00 C ATOM 337 O PHE A 27 -2.909 14.785 -7.928 1.00 0.00 O ATOM 338 CB PHE A 27 -0.921 17.311 -7.754 1.00 0.00 C ATOM 339 CG PHE A 27 -1.114 16.679 -6.404 1.00 0.00 C ATOM 340 CD1 PHE A 27 -2.119 17.118 -5.556 1.00 0.00 C ATOM 341 CD2 PHE A 27 -0.295 15.644 -5.986 1.00 0.00 C ATOM 342 CE1 PHE A 27 -2.303 16.536 -4.316 1.00 0.00 C ATOM 343 CE2 PHE A 27 -0.472 15.058 -4.747 1.00 0.00 C ATOM 344 CZ PHE A 27 -1.477 15.504 -3.912 1.00 0.00 C ATOM 0 H PHE A 27 -3.857 16.922 -8.280 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.402 16.906 -9.813 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.115 17.176 -8.065 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.092 18.384 -7.672 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.766 17.925 -5.868 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.492 15.290 -6.636 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.090 16.887 -3.665 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.175 14.252 -4.432 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.618 15.047 -2.944 1.00 0.00 H new ATOM 354 N GLU A 28 -1.109 14.469 -9.242 1.00 0.00 N ATOM 355 CA GLU A 28 -1.134 13.017 -9.126 1.00 0.00 C ATOM 356 C GLU A 28 0.112 12.531 -8.388 1.00 0.00 C ATOM 357 O GLU A 28 0.596 13.204 -7.478 1.00 0.00 O ATOM 358 CB GLU A 28 -1.228 12.376 -10.513 1.00 0.00 C ATOM 359 CG GLU A 28 -0.012 12.635 -11.387 1.00 0.00 C ATOM 360 CD GLU A 28 -0.247 12.263 -12.837 1.00 0.00 C ATOM 361 OE1 GLU A 28 -1.353 11.776 -13.154 1.00 0.00 O ATOM 362 OE2 GLU A 28 0.675 12.459 -13.657 1.00 0.00 O ATOM 0 H GLU A 28 -0.355 14.831 -9.825 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.013 12.721 -8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.360 11.300 -10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.116 12.754 -11.019 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.257 13.689 -11.325 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.835 12.067 -11.003 1.00 0.00 H new ATOM 369 N CYS A 29 0.634 11.369 -8.772 1.00 0.00 N ATOM 370 CA CYS A 29 1.824 10.832 -8.123 1.00 0.00 C ATOM 371 C CYS A 29 2.413 9.663 -8.904 1.00 0.00 C ATOM 372 O CYS A 29 1.732 9.030 -9.710 1.00 0.00 O ATOM 373 CB CYS A 29 1.492 10.385 -6.700 1.00 0.00 C ATOM 374 SG CYS A 29 1.692 11.689 -5.446 1.00 0.00 S ATOM 0 H CYS A 29 0.256 10.788 -9.520 1.00 0.00 H new ATOM 0 HA CYS A 29 2.569 11.627 -8.093 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.463 10.026 -6.674 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.131 9.542 -6.437 1.00 0.00 H new ATOM 379 N LYS A 30 3.687 9.381 -8.645 1.00 0.00 N ATOM 380 CA LYS A 30 4.384 8.286 -9.305 1.00 0.00 C ATOM 381 C LYS A 30 4.880 7.278 -8.276 1.00 0.00 C ATOM 382 O LYS A 30 6.075 7.198 -7.991 1.00 0.00 O ATOM 383 CB LYS A 30 5.560 8.821 -10.124 1.00 0.00 C ATOM 384 CG LYS A 30 5.898 7.966 -11.334 1.00 0.00 C ATOM 385 CD LYS A 30 6.209 6.533 -10.934 1.00 0.00 C ATOM 386 CE LYS A 30 4.972 5.651 -11.013 1.00 0.00 C ATOM 387 NZ LYS A 30 4.942 4.848 -12.266 1.00 0.00 N ATOM 0 H LYS A 30 4.259 9.900 -7.979 1.00 0.00 H new ATOM 0 HA LYS A 30 3.686 7.787 -9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.329 9.833 -10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.438 8.890 -9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.062 7.976 -12.033 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.755 8.394 -11.855 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.985 6.132 -11.586 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.605 6.515 -9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.947 4.982 -10.153 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.079 6.273 -10.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.084 4.261 -12.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.940 5.486 -13.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.781 4.235 -12.306 1.00 0.00 H new ATOM 401 N CYS A 31 3.948 6.519 -7.712 1.00 0.00 N ATOM 402 CA CYS A 31 4.269 5.519 -6.699 1.00 0.00 C ATOM 403 C CYS A 31 5.529 4.738 -7.057 1.00 0.00 C ATOM 404 O CYS A 31 6.072 4.876 -8.153 1.00 0.00 O ATOM 405 CB CYS A 31 3.092 4.566 -6.514 1.00 0.00 C ATOM 406 SG CYS A 31 1.610 5.358 -5.812 1.00 0.00 S ATOM 0 H CYS A 31 2.956 6.578 -7.941 1.00 0.00 H new ATOM 0 HA CYS A 31 4.461 6.043 -5.762 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.836 4.128 -7.479 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.398 3.747 -5.863 1.00 0.00 H new ATOM 411 N ASP A 32 5.991 3.923 -6.113 1.00 0.00 N ATOM 412 CA ASP A 32 7.193 3.122 -6.307 1.00 0.00 C ATOM 413 C ASP A 32 6.880 1.801 -7.005 1.00 0.00 C ATOM 414 O ASP A 32 6.864 1.726 -8.234 1.00 0.00 O ATOM 415 CB ASP A 32 7.867 2.855 -4.960 1.00 0.00 C ATOM 416 CG ASP A 32 9.077 1.949 -5.087 1.00 0.00 C ATOM 417 OD1 ASP A 32 9.683 1.918 -6.178 1.00 0.00 O ATOM 418 OD2 ASP A 32 9.418 1.272 -4.094 1.00 0.00 O ATOM 0 H ASP A 32 5.548 3.801 -5.202 1.00 0.00 H new ATOM 0 HA ASP A 32 7.871 3.686 -6.947 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.171 3.802 -4.515 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.146 2.401 -4.280 1.00 0.00 H new ATOM 423 N GLU A 33 6.644 0.756 -6.215 1.00 0.00 N ATOM 424 CA GLU A 33 6.346 -0.563 -6.761 1.00 0.00 C ATOM 425 C GLU A 33 4.905 -0.969 -6.477 1.00 0.00 C ATOM 426 O GLU A 33 4.079 -1.042 -7.387 1.00 0.00 O ATOM 427 CB GLU A 33 7.302 -1.603 -6.176 1.00 0.00 C ATOM 428 CG GLU A 33 8.764 -1.197 -6.256 1.00 0.00 C ATOM 429 CD GLU A 33 9.701 -2.297 -5.796 1.00 0.00 C ATOM 430 OE1 GLU A 33 9.259 -3.161 -5.010 1.00 0.00 O ATOM 431 OE2 GLU A 33 10.875 -2.294 -6.221 1.00 0.00 O ATOM 0 H GLU A 33 6.654 0.798 -5.196 1.00 0.00 H new ATOM 0 HA GLU A 33 6.479 -0.515 -7.842 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.039 -1.780 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.166 -2.547 -6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.006 -0.925 -7.283 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.925 -0.309 -5.645 1.00 0.00 H new ATOM 438 N GLY A 34 4.613 -1.240 -5.212 1.00 0.00 N ATOM 439 CA GLY A 34 3.274 -1.646 -4.833 1.00 0.00 C ATOM 440 C GLY A 34 2.526 -0.563 -4.086 1.00 0.00 C ATOM 441 O GLY A 34 1.363 -0.741 -3.729 1.00 0.00 O ATOM 0 H GLY A 34 5.279 -1.186 -4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.714 -1.918 -5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.332 -2.538 -4.210 1.00 0.00 H new ATOM 445 N TYR A 35 3.189 0.563 -3.847 1.00 0.00 N ATOM 446 CA TYR A 35 2.566 1.669 -3.135 1.00 0.00 C ATOM 447 C TYR A 35 1.475 2.314 -3.987 1.00 0.00 C ATOM 448 O TYR A 35 1.719 2.715 -5.124 1.00 0.00 O ATOM 449 CB TYR A 35 3.621 2.704 -2.747 1.00 0.00 C ATOM 450 CG TYR A 35 4.784 2.120 -1.976 1.00 0.00 C ATOM 451 CD1 TYR A 35 4.602 1.036 -1.127 1.00 0.00 C ATOM 452 CD2 TYR A 35 6.062 2.651 -2.097 1.00 0.00 C ATOM 453 CE1 TYR A 35 5.660 0.499 -0.418 1.00 0.00 C ATOM 454 CE2 TYR A 35 7.125 2.117 -1.392 1.00 0.00 C ATOM 455 CZ TYR A 35 6.919 1.043 -0.554 1.00 0.00 C ATOM 456 OH TYR A 35 7.974 0.510 0.150 1.00 0.00 O ATOM 0 H TYR A 35 4.153 0.732 -4.135 1.00 0.00 H new ATOM 0 HA TYR A 35 2.104 1.280 -2.228 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.998 3.183 -3.651 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.151 3.482 -2.146 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.617 0.606 -1.019 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.228 3.494 -2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.501 -0.343 0.239 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.113 2.540 -1.498 1.00 0.00 H new ATOM 0 HH TYR A 35 8.803 0.635 -0.358 1.00 0.00 H new ATOM 466 N GLU A 36 0.270 2.399 -3.430 1.00 0.00 N ATOM 467 CA GLU A 36 -0.864 2.985 -4.137 1.00 0.00 C ATOM 468 C GLU A 36 -1.193 4.370 -3.577 1.00 0.00 C ATOM 469 O GLU A 36 -1.365 4.534 -2.369 1.00 0.00 O ATOM 470 CB GLU A 36 -2.080 2.047 -4.044 1.00 0.00 C ATOM 471 CG GLU A 36 -3.242 2.589 -3.219 1.00 0.00 C ATOM 472 CD GLU A 36 -4.499 1.755 -3.365 1.00 0.00 C ATOM 473 OE1 GLU A 36 -4.454 0.733 -4.082 1.00 0.00 O ATOM 474 OE2 GLU A 36 -5.529 2.123 -2.762 1.00 0.00 O ATOM 0 H GLU A 36 0.054 2.069 -2.489 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.601 3.107 -5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.436 1.835 -5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.758 1.099 -3.614 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.953 2.623 -2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.453 3.614 -3.524 1.00 0.00 H new ATOM 481 N SER A 37 -1.271 5.362 -4.459 1.00 0.00 N ATOM 482 CA SER A 37 -1.570 6.724 -4.050 1.00 0.00 C ATOM 483 C SER A 37 -3.069 6.987 -4.086 1.00 0.00 C ATOM 484 O SER A 37 -3.693 6.943 -5.146 1.00 0.00 O ATOM 485 CB SER A 37 -0.847 7.723 -4.955 1.00 0.00 C ATOM 486 OG SER A 37 -1.688 8.158 -6.009 1.00 0.00 O ATOM 0 H SER A 37 -1.131 5.244 -5.462 1.00 0.00 H new ATOM 0 HA SER A 37 -1.220 6.851 -3.026 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.522 8.581 -4.367 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.050 7.261 -5.368 1.00 0.00 H new ATOM 0 HG SER A 37 -2.333 7.453 -6.225 1.00 0.00 H new ATOM 492 N GLY A 38 -3.640 7.264 -2.922 1.00 0.00 N ATOM 493 CA GLY A 38 -5.061 7.536 -2.848 1.00 0.00 C ATOM 494 C GLY A 38 -5.818 6.491 -2.054 1.00 0.00 C ATOM 495 O GLY A 38 -6.941 6.127 -2.407 1.00 0.00 O ATOM 0 H GLY A 38 -3.146 7.305 -2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.216 8.514 -2.393 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.470 7.586 -3.857 1.00 0.00 H new ATOM 499 N PHE A 39 -5.207 6.006 -0.982 1.00 0.00 N ATOM 500 CA PHE A 39 -5.834 4.995 -0.138 1.00 0.00 C ATOM 501 C PHE A 39 -6.880 5.625 0.776 1.00 0.00 C ATOM 502 O PHE A 39 -7.773 4.940 1.279 1.00 0.00 O ATOM 503 CB PHE A 39 -4.779 4.271 0.699 1.00 0.00 C ATOM 504 CG PHE A 39 -5.347 3.182 1.564 1.00 0.00 C ATOM 505 CD1 PHE A 39 -5.821 2.008 1.002 1.00 0.00 C ATOM 506 CD2 PHE A 39 -5.408 3.333 2.941 1.00 0.00 C ATOM 507 CE1 PHE A 39 -6.344 1.005 1.795 1.00 0.00 C ATOM 508 CE2 PHE A 39 -5.930 2.335 3.739 1.00 0.00 C ATOM 509 CZ PHE A 39 -6.400 1.168 3.166 1.00 0.00 C ATOM 0 H PHE A 39 -4.278 6.295 -0.675 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.330 4.273 -0.787 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.030 3.842 0.034 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.267 4.997 1.331 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.781 1.875 -0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.043 4.242 3.395 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.709 0.094 1.344 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.971 2.466 4.810 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.810 0.386 3.788 1.00 0.00 H new ATOM 519 N MET A 40 -6.765 6.931 0.988 1.00 0.00 N ATOM 520 CA MET A 40 -7.700 7.655 1.842 1.00 0.00 C ATOM 521 C MET A 40 -7.104 8.983 2.298 1.00 0.00 C ATOM 522 O MET A 40 -7.830 9.919 2.629 1.00 0.00 O ATOM 523 CB MET A 40 -8.073 6.805 3.059 1.00 0.00 C ATOM 524 CG MET A 40 -6.932 5.942 3.569 1.00 0.00 C ATOM 525 SD MET A 40 -6.599 6.197 5.323 1.00 0.00 S ATOM 526 CE MET A 40 -7.976 5.321 6.061 1.00 0.00 C ATOM 0 H MET A 40 -6.032 7.511 0.580 1.00 0.00 H new ATOM 0 HA MET A 40 -8.599 7.862 1.262 1.00 0.00 H new ATOM 0 HB2 MET A 40 -8.408 7.462 3.862 1.00 0.00 H new ATOM 0 HB3 MET A 40 -8.915 6.163 2.800 1.00 0.00 H new ATOM 0 HG2 MET A 40 -7.171 4.892 3.397 1.00 0.00 H new ATOM 0 HG3 MET A 40 -6.031 6.162 2.996 1.00 0.00 H new ATOM 0 HE1 MET A 40 -7.910 5.388 7.147 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.912 5.767 5.726 1.00 0.00 H new ATOM 0 HE3 MET A 40 -7.945 4.274 5.760 1.00 0.00 H new ATOM 536 N MET A 41 -5.777 9.055 2.310 1.00 0.00 N ATOM 537 CA MET A 41 -5.081 10.268 2.722 1.00 0.00 C ATOM 538 C MET A 41 -5.208 11.356 1.660 1.00 0.00 C ATOM 539 O MET A 41 -5.068 12.538 1.963 1.00 0.00 O ATOM 540 CB MET A 41 -3.605 9.970 2.985 1.00 0.00 C ATOM 541 CG MET A 41 -3.360 8.602 3.598 1.00 0.00 C ATOM 542 SD MET A 41 -4.298 8.344 5.116 1.00 0.00 S ATOM 543 CE MET A 41 -3.032 7.668 6.187 1.00 0.00 C ATOM 0 H MET A 41 -5.162 8.287 2.039 1.00 0.00 H new ATOM 0 HA MET A 41 -5.543 10.626 3.642 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.056 10.042 2.046 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.202 10.734 3.650 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.627 7.831 2.875 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.297 8.487 3.808 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.460 7.456 7.167 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.643 6.747 5.754 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.222 8.389 6.293 1.00 0.00 H new ATOM 553 N MET A 42 -5.462 10.923 0.421 1.00 0.00 N ATOM 554 CA MET A 42 -5.610 11.813 -0.735 1.00 0.00 C ATOM 555 C MET A 42 -4.418 11.656 -1.667 1.00 0.00 C ATOM 556 O MET A 42 -4.483 12.022 -2.840 1.00 0.00 O ATOM 557 CB MET A 42 -5.758 13.281 -0.323 1.00 0.00 C ATOM 558 CG MET A 42 -6.959 13.546 0.570 1.00 0.00 C ATOM 559 SD MET A 42 -8.083 14.774 -0.123 1.00 0.00 S ATOM 560 CE MET A 42 -7.910 16.100 1.069 1.00 0.00 C ATOM 0 H MET A 42 -5.572 9.936 0.190 1.00 0.00 H new ATOM 0 HA MET A 42 -6.525 11.525 -1.252 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.853 13.596 0.197 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.841 13.895 -1.220 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.500 12.614 0.731 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.613 13.886 1.546 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.546 16.936 0.778 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.208 15.744 2.055 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.871 16.428 1.100 1.00 0.00 H new ATOM 570 N LYS A 43 -3.336 11.096 -1.132 1.00 0.00 N ATOM 571 CA LYS A 43 -2.121 10.871 -1.903 1.00 0.00 C ATOM 572 C LYS A 43 -0.935 10.613 -0.980 1.00 0.00 C ATOM 573 O LYS A 43 -0.402 11.533 -0.361 1.00 0.00 O ATOM 574 CB LYS A 43 -1.825 12.068 -2.808 1.00 0.00 C ATOM 575 CG LYS A 43 -1.776 11.734 -4.294 1.00 0.00 C ATOM 576 CD LYS A 43 -2.706 10.588 -4.662 1.00 0.00 C ATOM 577 CE LYS A 43 -3.263 10.749 -6.067 1.00 0.00 C ATOM 578 NZ LYS A 43 -4.637 11.327 -6.057 1.00 0.00 N ATOM 0 H LYS A 43 -3.278 10.789 -0.161 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.278 9.990 -2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.587 12.830 -2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.870 12.504 -2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.047 12.618 -4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.755 11.473 -4.571 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.167 9.643 -4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.528 10.541 -3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.602 11.393 -6.648 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.281 9.779 -6.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.981 11.421 -7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.273 10.700 -5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.616 12.264 -5.606 1.00 0.00 H new ATOM 592 N ASN A 44 -0.533 9.351 -0.896 1.00 0.00 N ATOM 593 CA ASN A 44 0.587 8.953 -0.055 1.00 0.00 C ATOM 594 C ASN A 44 0.978 7.507 -0.340 1.00 0.00 C ATOM 595 O ASN A 44 1.161 6.714 0.583 1.00 0.00 O ATOM 596 CB ASN A 44 0.233 9.125 1.424 1.00 0.00 C ATOM 597 CG ASN A 44 -0.585 7.970 1.971 1.00 0.00 C ATOM 598 OD1 ASN A 44 -0.380 7.531 3.102 1.00 0.00 O ATOM 599 ND2 ASN A 44 -1.518 7.468 1.169 1.00 0.00 N ATOM 0 H ASN A 44 -0.970 8.582 -1.404 1.00 0.00 H new ATOM 0 HA ASN A 44 1.437 9.596 -0.286 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.151 9.221 2.004 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.324 10.053 1.554 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.096 6.689 1.484 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.656 7.861 0.238 1.00 0.00 H new ATOM 606 N CYS A 45 1.094 7.188 -1.635 1.00 0.00 N ATOM 607 CA CYS A 45 1.455 5.845 -2.110 1.00 0.00 C ATOM 608 C CYS A 45 1.718 4.876 -0.964 1.00 0.00 C ATOM 609 O CYS A 45 2.636 5.071 -0.168 1.00 0.00 O ATOM 610 CB CYS A 45 2.675 5.915 -3.029 1.00 0.00 C ATOM 611 SG CYS A 45 2.367 6.795 -4.593 1.00 0.00 S ATOM 0 H CYS A 45 0.939 7.858 -2.388 1.00 0.00 H new ATOM 0 HA CYS A 45 0.601 5.463 -2.669 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.489 6.409 -2.499 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.008 4.902 -3.253 1.00 0.00 H new ATOM 616 N MET A 46 0.895 3.835 -0.881 1.00 0.00 N ATOM 617 CA MET A 46 1.029 2.842 0.175 1.00 0.00 C ATOM 618 C MET A 46 0.718 1.439 -0.342 1.00 0.00 C ATOM 619 O MET A 46 -0.319 1.217 -0.966 1.00 0.00 O ATOM 620 CB MET A 46 0.094 3.190 1.333 1.00 0.00 C ATOM 621 CG MET A 46 -1.371 3.244 0.934 1.00 0.00 C ATOM 622 SD MET A 46 -2.476 3.298 2.358 1.00 0.00 S ATOM 623 CE MET A 46 -2.955 1.576 2.481 1.00 0.00 C ATOM 0 H MET A 46 0.130 3.659 -1.532 1.00 0.00 H new ATOM 0 HA MET A 46 2.062 2.852 0.524 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.220 2.452 2.125 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.385 4.155 1.747 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.542 4.123 0.312 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.610 2.372 0.326 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.598 1.438 3.350 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.495 1.283 1.580 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.064 0.957 2.587 1.00 0.00 H new ATOM 633 N ASP A 47 1.635 0.506 -0.075 1.00 0.00 N ATOM 634 CA ASP A 47 1.499 -0.887 -0.495 1.00 0.00 C ATOM 635 C ASP A 47 0.048 -1.259 -0.788 1.00 0.00 C ATOM 636 O ASP A 47 -0.796 -1.288 0.109 1.00 0.00 O ATOM 637 CB ASP A 47 2.072 -1.814 0.581 1.00 0.00 C ATOM 638 CG ASP A 47 1.066 -2.138 1.669 1.00 0.00 C ATOM 639 OD1 ASP A 47 0.373 -1.207 2.131 1.00 0.00 O ATOM 640 OD2 ASP A 47 0.971 -3.321 2.056 1.00 0.00 O ATOM 0 H ASP A 47 2.494 0.698 0.440 1.00 0.00 H new ATOM 0 HA ASP A 47 2.060 -1.008 -1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.409 -2.740 0.115 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.948 -1.346 1.029 1.00 0.00 H new ATOM 645 N ILE A 48 -0.225 -1.541 -2.053 1.00 0.00 N ATOM 646 CA ILE A 48 -1.560 -1.913 -2.500 1.00 0.00 C ATOM 647 C ILE A 48 -2.068 -3.152 -1.774 1.00 0.00 C ATOM 648 O ILE A 48 -1.424 -3.655 -0.853 1.00 0.00 O ATOM 649 CB ILE A 48 -1.561 -2.192 -4.010 1.00 0.00 C ATOM 650 CG1 ILE A 48 -0.275 -2.921 -4.399 1.00 0.00 C ATOM 651 CG2 ILE A 48 -1.706 -0.896 -4.794 1.00 0.00 C ATOM 652 CD1 ILE A 48 -0.498 -4.075 -5.353 1.00 0.00 C ATOM 0 H ILE A 48 0.471 -1.519 -2.798 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.220 -1.075 -2.274 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.413 -2.827 -4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.412 -2.209 -4.857 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.208 -3.295 -3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.705 -1.115 -5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.644 -0.411 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.873 -0.233 -4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.458 -4.545 -5.585 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.160 -4.807 -4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.953 -3.705 -6.272 1.00 0.00 H new ATOM 664 N ASP A 49 -3.226 -3.642 -2.203 1.00 0.00 N ATOM 665 CA ASP A 49 -3.824 -4.827 -1.606 1.00 0.00 C ATOM 666 C ASP A 49 -3.588 -6.049 -2.483 1.00 0.00 C ATOM 667 O ASP A 49 -4.513 -6.547 -3.124 1.00 0.00 O ATOM 668 CB ASP A 49 -5.325 -4.624 -1.400 1.00 0.00 C ATOM 669 CG ASP A 49 -5.968 -5.789 -0.673 1.00 0.00 C ATOM 670 OD1 ASP A 49 -5.386 -6.896 -0.695 1.00 0.00 O ATOM 671 OD2 ASP A 49 -7.050 -5.597 -0.081 1.00 0.00 O ATOM 0 H ASP A 49 -3.769 -3.234 -2.964 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.351 -4.991 -0.638 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.491 -3.708 -0.833 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.808 -4.491 -2.368 1.00 0.00 H new ATOM 676 N GLU A 50 -2.351 -6.529 -2.511 1.00 0.00 N ATOM 677 CA GLU A 50 -2.007 -7.694 -3.310 1.00 0.00 C ATOM 678 C GLU A 50 -2.979 -8.838 -3.040 1.00 0.00 C ATOM 679 O GLU A 50 -3.142 -9.737 -3.864 1.00 0.00 O ATOM 680 CB GLU A 50 -0.582 -8.140 -3.002 1.00 0.00 C ATOM 681 CG GLU A 50 0.477 -7.145 -3.446 1.00 0.00 C ATOM 682 CD GLU A 50 0.826 -6.150 -2.356 1.00 0.00 C ATOM 683 OE1 GLU A 50 0.764 -6.528 -1.168 1.00 0.00 O ATOM 684 OE2 GLU A 50 1.162 -4.994 -2.690 1.00 0.00 O ATOM 0 H GLU A 50 -1.571 -6.129 -1.989 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.076 -7.420 -4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.486 -8.305 -1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.396 -9.097 -3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.376 -7.684 -3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.121 -6.607 -4.325 1.00 0.00 H new ATOM 691 N CYS A 51 -3.626 -8.790 -1.881 1.00 0.00 N ATOM 692 CA CYS A 51 -4.589 -9.818 -1.499 1.00 0.00 C ATOM 693 C CYS A 51 -5.894 -9.641 -2.268 1.00 0.00 C ATOM 694 O CYS A 51 -6.777 -10.495 -2.224 1.00 0.00 O ATOM 695 CB CYS A 51 -4.868 -9.755 0.004 1.00 0.00 C ATOM 696 SG CYS A 51 -3.488 -10.329 1.045 1.00 0.00 S ATOM 0 H CYS A 51 -3.502 -8.051 -1.189 1.00 0.00 H new ATOM 0 HA CYS A 51 -4.162 -10.791 -1.743 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.109 -8.727 0.274 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.749 -10.358 0.224 1.00 0.00 H new ATOM 701 N GLN A 52 -6.005 -8.516 -2.967 1.00 0.00 N ATOM 702 CA GLN A 52 -7.197 -8.206 -3.742 1.00 0.00 C ATOM 703 C GLN A 52 -6.866 -8.108 -5.226 1.00 0.00 C ATOM 704 O GLN A 52 -7.744 -8.232 -6.081 1.00 0.00 O ATOM 705 CB GLN A 52 -7.801 -6.891 -3.252 1.00 0.00 C ATOM 706 CG GLN A 52 -8.850 -7.074 -2.170 1.00 0.00 C ATOM 707 CD GLN A 52 -9.940 -6.022 -2.228 1.00 0.00 C ATOM 708 OE1 GLN A 52 -11.072 -6.261 -1.806 1.00 0.00 O ATOM 709 NE2 GLN A 52 -9.605 -4.849 -2.753 1.00 0.00 N ATOM 0 H GLN A 52 -5.278 -7.801 -3.011 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.921 -9.010 -3.606 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.003 -6.254 -2.870 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.249 -6.369 -4.097 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.299 -8.062 -2.268 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.368 -7.039 -1.193 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.655 -4.694 -3.091 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.298 -4.103 -2.819 1.00 0.00 H new ATOM 718 N ARG A 53 -5.593 -7.883 -5.519 1.00 0.00 N ATOM 719 CA ARG A 53 -5.130 -7.762 -6.897 1.00 0.00 C ATOM 720 C ARG A 53 -5.401 -9.042 -7.683 1.00 0.00 C ATOM 721 O ARG A 53 -5.633 -9.000 -8.892 1.00 0.00 O ATOM 722 CB ARG A 53 -3.634 -7.441 -6.921 1.00 0.00 C ATOM 723 CG ARG A 53 -3.022 -7.493 -8.311 1.00 0.00 C ATOM 724 CD ARG A 53 -1.777 -8.364 -8.334 1.00 0.00 C ATOM 725 NE ARG A 53 -1.245 -8.522 -9.685 1.00 0.00 N ATOM 726 CZ ARG A 53 0.023 -8.828 -9.945 1.00 0.00 C ATOM 727 NH1 ARG A 53 0.880 -9.009 -8.950 1.00 0.00 N ATOM 728 NH2 ARG A 53 0.432 -8.953 -11.199 1.00 0.00 N ATOM 0 H ARG A 53 -4.859 -7.780 -4.819 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.681 -6.949 -7.370 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.478 -6.447 -6.501 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.109 -8.146 -6.276 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.754 -7.882 -9.019 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.769 -6.484 -8.637 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.014 -7.923 -7.693 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.013 -9.344 -7.920 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.880 -8.391 -10.472 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.567 -8.914 -7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.852 -9.244 -9.151 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.226 -8.815 -11.966 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.405 -9.188 -11.397 1.00 0.00 H new ATOM 742 N ASP A 54 -5.367 -10.179 -6.993 1.00 0.00 N ATOM 743 CA ASP A 54 -5.608 -11.466 -7.635 1.00 0.00 C ATOM 744 C ASP A 54 -6.670 -12.264 -6.886 1.00 0.00 C ATOM 745 O ASP A 54 -6.718 -12.256 -5.655 1.00 0.00 O ATOM 746 CB ASP A 54 -4.309 -12.270 -7.711 1.00 0.00 C ATOM 747 CG ASP A 54 -3.550 -12.024 -9.000 1.00 0.00 C ATOM 748 OD1 ASP A 54 -4.176 -12.085 -10.078 1.00 0.00 O ATOM 749 OD2 ASP A 54 -2.329 -11.770 -8.930 1.00 0.00 O ATOM 0 H ASP A 54 -5.175 -10.234 -5.993 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.972 -11.276 -8.645 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.674 -12.010 -6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.537 -13.332 -7.624 1.00 0.00 H new ATOM 754 N PRO A 55 -7.535 -12.967 -7.630 1.00 0.00 N ATOM 755 CA PRO A 55 -8.603 -13.780 -7.057 1.00 0.00 C ATOM 756 C PRO A 55 -8.121 -15.175 -6.673 1.00 0.00 C ATOM 757 O PRO A 55 -8.857 -15.957 -6.073 1.00 0.00 O ATOM 758 CB PRO A 55 -9.614 -13.854 -8.197 1.00 0.00 C ATOM 759 CG PRO A 55 -8.789 -13.793 -9.440 1.00 0.00 C ATOM 760 CD PRO A 55 -7.534 -13.023 -9.101 1.00 0.00 C ATOM 0 HA PRO A 55 -9.003 -13.358 -6.135 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.195 -14.775 -8.152 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.323 -13.028 -8.152 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.543 -14.796 -9.789 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.338 -13.301 -10.243 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.644 -13.524 -9.480 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.548 -12.025 -9.538 1.00 0.00 H new ATOM 768 N LEU A 56 -6.872 -15.471 -7.020 1.00 0.00 N ATOM 769 CA LEU A 56 -6.272 -16.761 -6.712 1.00 0.00 C ATOM 770 C LEU A 56 -5.048 -16.575 -5.824 1.00 0.00 C ATOM 771 O LEU A 56 -4.383 -17.542 -5.450 1.00 0.00 O ATOM 772 CB LEU A 56 -5.876 -17.486 -7.999 1.00 0.00 C ATOM 773 CG LEU A 56 -7.035 -18.121 -8.771 1.00 0.00 C ATOM 774 CD1 LEU A 56 -8.326 -17.355 -8.527 1.00 0.00 C ATOM 775 CD2 LEU A 56 -6.716 -18.169 -10.256 1.00 0.00 C ATOM 0 H LEU A 56 -6.254 -14.830 -7.517 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.007 -17.365 -6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.368 -16.778 -8.654 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.155 -18.265 -7.751 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.171 -19.141 -8.412 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.137 -17.823 -9.085 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.562 -17.369 -7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.205 -16.324 -8.858 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.549 -18.623 -10.793 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.554 -17.157 -10.626 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.815 -18.762 -10.416 1.00 0.00 H new ATOM 787 N LEU A 57 -4.753 -15.324 -5.489 1.00 0.00 N ATOM 788 CA LEU A 57 -3.612 -15.014 -4.643 1.00 0.00 C ATOM 789 C LEU A 57 -3.672 -15.814 -3.352 1.00 0.00 C ATOM 790 O LEU A 57 -4.579 -15.635 -2.540 1.00 0.00 O ATOM 791 CB LEU A 57 -3.571 -13.518 -4.339 1.00 0.00 C ATOM 792 CG LEU A 57 -2.186 -12.968 -3.995 1.00 0.00 C ATOM 793 CD1 LEU A 57 -1.871 -11.745 -4.842 1.00 0.00 C ATOM 794 CD2 LEU A 57 -2.101 -12.633 -2.514 1.00 0.00 C ATOM 0 H LEU A 57 -5.289 -14.510 -5.791 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.701 -15.288 -5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.957 -12.976 -5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.244 -13.313 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.444 -13.735 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.882 -11.368 -4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.890 -12.018 -5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.615 -10.971 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.109 -12.243 -2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.852 -11.882 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.281 -13.533 -1.926 1.00 0.00 H new ATOM 806 N CYS A 58 -2.707 -16.707 -3.176 1.00 0.00 N ATOM 807 CA CYS A 58 -2.663 -17.543 -1.988 1.00 0.00 C ATOM 808 C CYS A 58 -3.986 -18.277 -1.826 1.00 0.00 C ATOM 809 O CYS A 58 -4.344 -18.713 -0.732 1.00 0.00 O ATOM 810 CB CYS A 58 -2.362 -16.693 -0.755 1.00 0.00 C ATOM 811 SG CYS A 58 -0.858 -15.685 -0.920 1.00 0.00 S ATOM 0 H CYS A 58 -1.948 -16.869 -3.838 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.866 -18.279 -2.097 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.210 -16.037 -0.560 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.259 -17.347 0.111 1.00 0.00 H new ATOM 816 N ARG A 59 -4.703 -18.411 -2.938 1.00 0.00 N ATOM 817 CA ARG A 59 -5.989 -19.094 -2.948 1.00 0.00 C ATOM 818 C ARG A 59 -5.907 -20.394 -2.161 1.00 0.00 C ATOM 819 O ARG A 59 -6.860 -20.792 -1.491 1.00 0.00 O ATOM 820 CB ARG A 59 -6.421 -19.373 -4.390 1.00 0.00 C ATOM 821 CG ARG A 59 -7.914 -19.599 -4.551 1.00 0.00 C ATOM 822 CD ARG A 59 -8.202 -20.862 -5.345 1.00 0.00 C ATOM 823 NE ARG A 59 -9.117 -21.755 -4.641 1.00 0.00 N ATOM 824 CZ ARG A 59 -9.609 -22.871 -5.169 1.00 0.00 C ATOM 825 NH1 ARG A 59 -9.273 -23.226 -6.402 1.00 0.00 N ATOM 826 NH2 ARG A 59 -10.436 -23.632 -4.466 1.00 0.00 N ATOM 0 H ARG A 59 -4.412 -18.053 -3.847 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.731 -18.451 -2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.120 -18.534 -5.018 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.889 -20.251 -4.755 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.380 -19.671 -3.568 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.361 -18.742 -5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.630 -20.593 -6.311 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.267 -21.385 -5.545 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.394 -21.509 -3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.637 -22.642 -6.945 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.651 -24.083 -6.807 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -10.696 -23.362 -3.518 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.812 -24.488 -4.874 1.00 0.00 H new ATOM 840 N GLY A 60 -4.753 -21.045 -2.240 1.00 0.00 N ATOM 841 CA GLY A 60 -4.548 -22.289 -1.524 1.00 0.00 C ATOM 842 C GLY A 60 -3.547 -22.135 -0.398 1.00 0.00 C ATOM 843 O GLY A 60 -2.997 -23.119 0.096 1.00 0.00 O ATOM 0 H GLY A 60 -3.953 -20.732 -2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.499 -22.636 -1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.199 -23.054 -2.218 1.00 0.00 H new ATOM 847 N GLY A 61 -3.308 -20.890 0.003 1.00 0.00 N ATOM 848 CA GLY A 61 -2.364 -20.622 1.071 1.00 0.00 C ATOM 849 C GLY A 61 -2.740 -19.405 1.895 1.00 0.00 C ATOM 850 O GLY A 61 -3.829 -19.343 2.465 1.00 0.00 O ATOM 0 H GLY A 61 -3.752 -20.062 -0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.304 -21.493 1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.372 -20.474 0.644 1.00 0.00 H new ATOM 854 N VAL A 62 -1.829 -18.439 1.961 1.00 0.00 N ATOM 855 CA VAL A 62 -2.053 -17.218 2.722 1.00 0.00 C ATOM 856 C VAL A 62 -1.305 -16.047 2.098 1.00 0.00 C ATOM 857 O VAL A 62 -0.138 -16.169 1.727 1.00 0.00 O ATOM 858 CB VAL A 62 -1.603 -17.380 4.190 1.00 0.00 C ATOM 859 CG1 VAL A 62 -1.431 -16.023 4.863 1.00 0.00 C ATOM 860 CG2 VAL A 62 -2.595 -18.241 4.959 1.00 0.00 C ATOM 0 H VAL A 62 -0.924 -18.481 1.493 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.124 -17.018 2.701 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.635 -17.881 4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.114 -16.167 5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.677 -15.445 4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.379 -15.486 4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.262 -18.345 5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.577 -17.769 4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.656 -19.226 4.497 1.00 0.00 H new ATOM 870 N CYS A 63 -1.983 -14.912 1.990 1.00 0.00 N ATOM 871 CA CYS A 63 -1.382 -13.722 1.419 1.00 0.00 C ATOM 872 C CYS A 63 -0.982 -12.736 2.511 1.00 0.00 C ATOM 873 O CYS A 63 -1.816 -12.006 3.046 1.00 0.00 O ATOM 874 CB CYS A 63 -2.350 -13.065 0.437 1.00 0.00 C ATOM 875 SG CYS A 63 -3.819 -12.323 1.217 1.00 0.00 S ATOM 0 H CYS A 63 -2.950 -14.794 2.292 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.480 -14.016 0.883 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.818 -12.292 -0.118 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.676 -13.811 -0.288 1.00 0.00 H new ATOM 880 N HIS A 64 0.306 -12.722 2.832 1.00 0.00 N ATOM 881 CA HIS A 64 0.830 -11.829 3.854 1.00 0.00 C ATOM 882 C HIS A 64 1.233 -10.498 3.233 1.00 0.00 C ATOM 883 O HIS A 64 2.408 -10.129 3.226 1.00 0.00 O ATOM 884 CB HIS A 64 2.030 -12.466 4.556 1.00 0.00 C ATOM 885 CG HIS A 64 1.743 -13.825 5.116 1.00 0.00 C ATOM 886 ND1 HIS A 64 2.288 -14.983 4.599 1.00 0.00 N ATOM 887 CD2 HIS A 64 0.965 -14.210 6.154 1.00 0.00 C ATOM 888 CE1 HIS A 64 1.856 -16.019 5.295 1.00 0.00 C ATOM 889 NE2 HIS A 64 1.052 -15.577 6.244 1.00 0.00 N ATOM 0 H HIS A 64 1.007 -13.321 2.397 1.00 0.00 H new ATOM 0 HA HIS A 64 0.048 -11.652 4.593 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.857 -12.540 3.850 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.358 -11.811 5.363 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.925 -15.031 3.804 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.384 -13.562 6.793 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.116 -17.052 5.118 1.00 0.00 H new ATOM 898 N ASN A 65 0.242 -9.790 2.706 1.00 0.00 N ATOM 899 CA ASN A 65 0.471 -8.498 2.071 1.00 0.00 C ATOM 900 C ASN A 65 1.369 -7.614 2.929 1.00 0.00 C ATOM 901 O ASN A 65 1.037 -7.293 4.070 1.00 0.00 O ATOM 902 CB ASN A 65 -0.863 -7.792 1.813 1.00 0.00 C ATOM 903 CG ASN A 65 -0.680 -6.386 1.276 1.00 0.00 C ATOM 904 OD1 ASN A 65 0.173 -5.634 1.748 1.00 0.00 O ATOM 905 ND2 ASN A 65 -1.483 -6.024 0.282 1.00 0.00 N ATOM 0 H ASN A 65 -0.733 -10.091 2.706 1.00 0.00 H new ATOM 0 HA ASN A 65 0.974 -8.675 1.120 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.448 -8.376 1.102 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.435 -7.752 2.740 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.407 -5.090 -0.121 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.176 -6.680 -0.078 1.00 0.00 H new ATOM 912 N THR A 66 2.508 -7.223 2.369 1.00 0.00 N ATOM 913 CA THR A 66 3.459 -6.375 3.075 1.00 0.00 C ATOM 914 C THR A 66 3.633 -5.038 2.362 1.00 0.00 C ATOM 915 O THR A 66 2.810 -4.657 1.527 1.00 0.00 O ATOM 916 CB THR A 66 4.833 -7.059 3.204 1.00 0.00 C ATOM 917 OG1 THR A 66 5.681 -6.663 2.120 1.00 0.00 O ATOM 918 CG2 THR A 66 4.685 -8.573 3.211 1.00 0.00 C ATOM 0 H THR A 66 2.795 -7.481 1.425 1.00 0.00 H new ATOM 0 HA THR A 66 3.053 -6.203 4.072 1.00 0.00 H new ATOM 0 HB THR A 66 5.281 -6.749 4.148 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.395 -6.083 2.458 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.668 -9.034 3.303 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.063 -8.874 4.054 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.218 -8.897 2.281 1.00 0.00 H new ATOM 926 N GLU A 67 4.708 -4.330 2.694 1.00 0.00 N ATOM 927 CA GLU A 67 4.989 -3.035 2.085 1.00 0.00 C ATOM 928 C GLU A 67 5.632 -3.206 0.712 1.00 0.00 C ATOM 929 O GLU A 67 6.555 -4.003 0.543 1.00 0.00 O ATOM 930 CB GLU A 67 5.905 -2.210 2.990 1.00 0.00 C ATOM 931 CG GLU A 67 5.163 -1.196 3.846 1.00 0.00 C ATOM 932 CD GLU A 67 6.083 -0.447 4.789 1.00 0.00 C ATOM 933 OE1 GLU A 67 6.905 0.358 4.303 1.00 0.00 O ATOM 934 OE2 GLU A 67 5.981 -0.665 6.016 1.00 0.00 O ATOM 0 H GLU A 67 5.399 -4.631 3.381 1.00 0.00 H new ATOM 0 HA GLU A 67 4.043 -2.509 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.462 -2.884 3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.636 -1.687 2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.653 -0.483 3.198 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.394 -1.708 4.424 1.00 0.00 H new ATOM 941 N GLY A 68 5.138 -2.453 -0.265 1.00 0.00 N ATOM 942 CA GLY A 68 5.677 -2.535 -1.610 1.00 0.00 C ATOM 943 C GLY A 68 5.863 -3.965 -2.072 1.00 0.00 C ATOM 944 O GLY A 68 6.881 -4.304 -2.676 1.00 0.00 O ATOM 0 H GLY A 68 4.374 -1.787 -0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.009 -2.018 -2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.635 -2.017 -1.647 1.00 0.00 H new ATOM 948 N SER A 69 4.876 -4.805 -1.786 1.00 0.00 N ATOM 949 CA SER A 69 4.930 -6.209 -2.173 1.00 0.00 C ATOM 950 C SER A 69 3.976 -7.041 -1.325 1.00 0.00 C ATOM 951 O SER A 69 3.185 -6.500 -0.551 1.00 0.00 O ATOM 952 CB SER A 69 6.357 -6.745 -2.032 1.00 0.00 C ATOM 953 OG SER A 69 6.983 -6.228 -0.870 1.00 0.00 O ATOM 0 H SER A 69 4.028 -4.538 -1.287 1.00 0.00 H new ATOM 0 HA SER A 69 4.623 -6.286 -3.216 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.337 -7.834 -1.984 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.939 -6.475 -2.913 1.00 0.00 H new ATOM 0 HG SER A 69 6.433 -6.430 -0.085 1.00 0.00 H new ATOM 959 N TYR A 70 4.053 -8.359 -1.472 1.00 0.00 N ATOM 960 CA TYR A 70 3.194 -9.262 -0.716 1.00 0.00 C ATOM 961 C TYR A 70 3.791 -10.663 -0.665 1.00 0.00 C ATOM 962 O TYR A 70 4.503 -11.078 -1.578 1.00 0.00 O ATOM 963 CB TYR A 70 1.792 -9.293 -1.329 1.00 0.00 C ATOM 964 CG TYR A 70 1.585 -10.368 -2.370 1.00 0.00 C ATOM 965 CD1 TYR A 70 2.099 -10.226 -3.652 1.00 0.00 C ATOM 966 CD2 TYR A 70 0.866 -11.518 -2.074 1.00 0.00 C ATOM 967 CE1 TYR A 70 1.903 -11.202 -4.611 1.00 0.00 C ATOM 968 CE2 TYR A 70 0.665 -12.499 -3.026 1.00 0.00 C ATOM 969 CZ TYR A 70 1.185 -12.337 -4.293 1.00 0.00 C ATOM 970 OH TYR A 70 0.986 -13.310 -5.244 1.00 0.00 O ATOM 0 H TYR A 70 4.701 -8.825 -2.107 1.00 0.00 H new ATOM 0 HA TYR A 70 3.119 -8.892 0.307 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.064 -9.434 -0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.586 -8.323 -1.781 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.661 -9.339 -3.904 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.457 -11.648 -1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.310 -11.077 -5.604 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.104 -13.388 -2.779 1.00 0.00 H new ATOM 0 HH TYR A 70 0.307 -13.009 -5.883 1.00 0.00 H new ATOM 980 N ARG A 71 3.502 -11.386 0.413 1.00 0.00 N ATOM 981 CA ARG A 71 4.022 -12.735 0.579 1.00 0.00 C ATOM 982 C ARG A 71 2.910 -13.766 0.446 1.00 0.00 C ATOM 983 O ARG A 71 1.768 -13.517 0.828 1.00 0.00 O ATOM 984 CB ARG A 71 4.705 -12.875 1.939 1.00 0.00 C ATOM 985 CG ARG A 71 5.146 -11.550 2.538 1.00 0.00 C ATOM 986 CD ARG A 71 6.427 -11.046 1.895 1.00 0.00 C ATOM 987 NE ARG A 71 7.570 -11.898 2.209 1.00 0.00 N ATOM 988 CZ ARG A 71 8.807 -11.655 1.788 1.00 0.00 C ATOM 989 NH1 ARG A 71 9.058 -10.589 1.041 1.00 0.00 N ATOM 990 NH2 ARG A 71 9.795 -12.478 2.115 1.00 0.00 N ATOM 0 H ARG A 71 2.913 -11.061 1.180 1.00 0.00 H new ATOM 0 HA ARG A 71 4.754 -12.916 -0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.021 -13.367 2.631 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.574 -13.524 1.834 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.357 -10.810 2.407 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.298 -11.667 3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.296 -11.000 0.814 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.628 -10.030 2.235 1.00 0.00 H new ATOM 0 HE ARG A 71 7.410 -12.726 2.783 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.301 -9.954 0.788 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.008 -10.404 0.719 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.606 -13.299 2.690 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.744 -12.290 1.791 1.00 0.00 H new ATOM 1004 N CYS A 72 3.254 -14.925 -0.098 1.00 0.00 N ATOM 1005 CA CYS A 72 2.288 -15.997 -0.280 1.00 0.00 C ATOM 1006 C CYS A 72 2.795 -17.282 0.366 1.00 0.00 C ATOM 1007 O CYS A 72 3.923 -17.711 0.117 1.00 0.00 O ATOM 1008 CB CYS A 72 2.011 -16.209 -1.769 1.00 0.00 C ATOM 1009 SG CYS A 72 0.325 -16.789 -2.144 1.00 0.00 S ATOM 0 H CYS A 72 4.196 -15.146 -0.421 1.00 0.00 H new ATOM 0 HA CYS A 72 1.354 -15.717 0.207 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.185 -15.271 -2.296 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.727 -16.932 -2.160 1.00 0.00 H new ATOM 1014 N GLU A 73 1.965 -17.878 1.216 1.00 0.00 N ATOM 1015 CA GLU A 73 2.335 -19.100 1.923 1.00 0.00 C ATOM 1016 C GLU A 73 1.228 -20.150 1.842 1.00 0.00 C ATOM 1017 O GLU A 73 0.074 -19.869 2.151 1.00 0.00 O ATOM 1018 CB GLU A 73 2.629 -18.763 3.382 1.00 0.00 C ATOM 1019 CG GLU A 73 3.882 -19.427 3.910 1.00 0.00 C ATOM 1020 CD GLU A 73 5.141 -18.923 3.232 1.00 0.00 C ATOM 1021 OE1 GLU A 73 5.074 -18.586 2.031 1.00 0.00 O ATOM 1022 OE2 GLU A 73 6.192 -18.862 3.903 1.00 0.00 O ATOM 0 H GLU A 73 1.030 -17.534 1.433 1.00 0.00 H new ATOM 0 HA GLU A 73 3.223 -19.519 1.450 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.728 -17.682 3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.780 -19.065 3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.957 -19.251 4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.804 -20.505 3.768 1.00 0.00 H new ATOM 1029 N CYS A 74 1.590 -21.360 1.418 1.00 0.00 N ATOM 1030 CA CYS A 74 0.622 -22.441 1.290 1.00 0.00 C ATOM 1031 C CYS A 74 0.081 -22.894 2.651 1.00 0.00 C ATOM 1032 O CYS A 74 -1.097 -23.233 2.767 1.00 0.00 O ATOM 1033 CB CYS A 74 1.227 -23.629 0.539 1.00 0.00 C ATOM 1034 SG CYS A 74 0.200 -24.238 -0.839 1.00 0.00 S ATOM 0 H CYS A 74 2.544 -21.613 1.159 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.217 -22.050 0.715 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.204 -23.340 0.150 1.00 0.00 H new ATOM 0 HB3 CYS A 74 1.392 -24.444 1.243 1.00 0.00 H new ATOM 1039 N PRO A 75 0.931 -22.933 3.708 1.00 0.00 N ATOM 1040 CA PRO A 75 2.351 -22.544 3.646 1.00 0.00 C ATOM 1041 C PRO A 75 3.233 -23.646 3.061 1.00 0.00 C ATOM 1042 O PRO A 75 2.737 -24.672 2.597 1.00 0.00 O ATOM 1043 CB PRO A 75 2.723 -22.296 5.126 1.00 0.00 C ATOM 1044 CG PRO A 75 1.461 -22.505 5.906 1.00 0.00 C ATOM 1045 CD PRO A 75 0.557 -23.340 5.057 1.00 0.00 C ATOM 0 HA PRO A 75 2.504 -21.680 3.000 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.503 -22.983 5.453 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.108 -21.286 5.268 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.670 -23.003 6.853 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.993 -21.550 6.145 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.717 -24.406 5.219 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.494 -23.141 5.265 1.00 0.00 H new ATOM 1053 N PRO A 76 4.567 -23.457 3.099 1.00 0.00 N ATOM 1054 CA PRO A 76 5.523 -24.429 2.591 1.00 0.00 C ATOM 1055 C PRO A 76 5.016 -25.863 2.649 1.00 0.00 C ATOM 1056 O PRO A 76 4.191 -26.218 3.491 1.00 0.00 O ATOM 1057 CB PRO A 76 6.704 -24.213 3.525 1.00 0.00 C ATOM 1058 CG PRO A 76 6.696 -22.739 3.786 1.00 0.00 C ATOM 1059 CD PRO A 76 5.256 -22.278 3.659 1.00 0.00 C ATOM 0 HA PRO A 76 5.749 -24.290 1.534 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.592 -24.782 4.448 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.640 -24.532 3.065 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.085 -22.521 4.780 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.333 -22.217 3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.840 -21.990 4.624 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.168 -21.412 3.003 1.00 0.00 H new ATOM 1067 N GLY A 77 5.504 -26.672 1.721 1.00 0.00 N ATOM 1068 CA GLY A 77 5.085 -28.054 1.630 1.00 0.00 C ATOM 1069 C GLY A 77 4.415 -28.314 0.299 1.00 0.00 C ATOM 1070 O GLY A 77 4.260 -29.460 -0.126 1.00 0.00 O ATOM 0 H GLY A 77 6.191 -26.391 1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.947 -28.711 1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.397 -28.287 2.443 1.00 0.00 H new ATOM 1074 N HIS A 78 4.029 -27.225 -0.361 1.00 0.00 N ATOM 1075 CA HIS A 78 3.382 -27.286 -1.660 1.00 0.00 C ATOM 1076 C HIS A 78 4.276 -26.622 -2.714 1.00 0.00 C ATOM 1077 O HIS A 78 5.471 -26.912 -2.781 1.00 0.00 O ATOM 1078 CB HIS A 78 2.014 -26.599 -1.589 1.00 0.00 C ATOM 1079 CG HIS A 78 1.040 -27.100 -2.610 1.00 0.00 C ATOM 1080 ND1 HIS A 78 1.336 -28.111 -3.500 1.00 0.00 N ATOM 1081 CD2 HIS A 78 -0.234 -26.725 -2.880 1.00 0.00 C ATOM 1082 CE1 HIS A 78 0.288 -28.335 -4.272 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -0.677 -27.508 -3.917 1.00 0.00 N ATOM 0 H HIS A 78 4.158 -26.277 -0.007 1.00 0.00 H new ATOM 0 HA HIS A 78 3.229 -28.327 -1.945 1.00 0.00 H new ATOM 0 HB2 HIS A 78 1.593 -26.747 -0.594 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.148 -25.526 -1.722 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -0.796 -25.954 -2.374 1.00 0.00 H new ATOM 0 HE1 HIS A 78 0.231 -29.071 -5.061 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -1.602 -27.459 -4.344 1.00 0.00 H new ATOM 1092 N GLN A 79 3.714 -25.727 -3.526 1.00 0.00 N ATOM 1093 CA GLN A 79 4.490 -25.038 -4.548 1.00 0.00 C ATOM 1094 C GLN A 79 3.897 -23.662 -4.823 1.00 0.00 C ATOM 1095 O GLN A 79 3.294 -23.433 -5.871 1.00 0.00 O ATOM 1096 CB GLN A 79 4.536 -25.865 -5.832 1.00 0.00 C ATOM 1097 CG GLN A 79 5.571 -25.378 -6.833 1.00 0.00 C ATOM 1098 CD GLN A 79 5.015 -24.345 -7.794 1.00 0.00 C ATOM 1099 OE1 GLN A 79 4.968 -23.155 -7.486 1.00 0.00 O ATOM 1100 NE2 GLN A 79 4.588 -24.799 -8.968 1.00 0.00 N ATOM 0 H GLN A 79 2.729 -25.465 -3.494 1.00 0.00 H new ATOM 0 HA GLN A 79 5.509 -24.911 -4.183 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.749 -26.903 -5.578 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.552 -25.847 -6.301 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.417 -24.950 -6.295 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.951 -26.228 -7.400 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.646 -25.795 -9.181 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.202 -24.152 -9.655 1.00 0.00 H new ATOM 1109 N LEU A 80 4.059 -22.752 -3.867 1.00 0.00 N ATOM 1110 CA LEU A 80 3.526 -21.403 -4.000 1.00 0.00 C ATOM 1111 C LEU A 80 4.490 -20.497 -4.747 1.00 0.00 C ATOM 1112 O LEU A 80 5.503 -20.059 -4.201 1.00 0.00 O ATOM 1113 CB LEU A 80 3.216 -20.815 -2.621 1.00 0.00 C ATOM 1114 CG LEU A 80 2.447 -19.488 -2.615 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.870 -19.167 -3.990 1.00 0.00 C ATOM 1116 CD2 LEU A 80 1.341 -19.530 -1.572 1.00 0.00 C ATOM 0 H LEU A 80 4.555 -22.926 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 80 2.604 -21.466 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.641 -21.548 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.157 -20.670 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 80 3.149 -18.695 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.332 -18.220 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.680 -19.092 -4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.185 -19.960 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.801 -18.583 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.652 -20.342 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.776 -19.695 -0.586 1.00 0.00 H new ATOM 1128 N SER A 81 4.156 -20.206 -5.997 1.00 0.00 N ATOM 1129 CA SER A 81 4.979 -19.338 -6.819 1.00 0.00 C ATOM 1130 C SER A 81 5.071 -17.954 -6.183 1.00 0.00 C ATOM 1131 O SER A 81 4.069 -17.399 -5.730 1.00 0.00 O ATOM 1132 CB SER A 81 4.397 -19.243 -8.227 1.00 0.00 C ATOM 1133 OG SER A 81 5.422 -19.151 -9.200 1.00 0.00 O ATOM 0 H SER A 81 3.320 -20.560 -6.462 1.00 0.00 H new ATOM 0 HA SER A 81 5.983 -19.758 -6.888 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.779 -20.118 -8.428 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.747 -18.371 -8.296 1.00 0.00 H new ATOM 0 HG SER A 81 5.116 -19.559 -10.037 1.00 0.00 H new ATOM 1139 N PRO A 82 6.283 -17.389 -6.124 1.00 0.00 N ATOM 1140 CA PRO A 82 6.520 -16.075 -5.517 1.00 0.00 C ATOM 1141 C PRO A 82 5.989 -14.912 -6.352 1.00 0.00 C ATOM 1142 O PRO A 82 6.544 -14.581 -7.398 1.00 0.00 O ATOM 1143 CB PRO A 82 8.041 -16.000 -5.417 1.00 0.00 C ATOM 1144 CG PRO A 82 8.539 -16.902 -6.495 1.00 0.00 C ATOM 1145 CD PRO A 82 7.523 -18.004 -6.624 1.00 0.00 C ATOM 0 HA PRO A 82 6.001 -15.984 -4.563 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.397 -14.980 -5.559 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.389 -16.325 -4.437 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.648 -16.361 -7.435 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.520 -17.305 -6.243 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.419 -18.335 -7.657 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.803 -18.878 -6.036 1.00 0.00 H new ATOM 1153 N ASN A 83 4.924 -14.285 -5.856 1.00 0.00 N ATOM 1154 CA ASN A 83 4.309 -13.136 -6.517 1.00 0.00 C ATOM 1155 C ASN A 83 3.520 -13.531 -7.763 1.00 0.00 C ATOM 1156 O ASN A 83 3.435 -12.764 -8.722 1.00 0.00 O ATOM 1157 CB ASN A 83 5.365 -12.084 -6.871 1.00 0.00 C ATOM 1158 CG ASN A 83 5.992 -11.446 -5.641 1.00 0.00 C ATOM 1159 OD1 ASN A 83 7.196 -11.194 -5.607 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.177 -11.180 -4.622 1.00 0.00 N ATOM 0 H ASN A 83 4.464 -14.558 -4.987 1.00 0.00 H new ATOM 0 HA ASN A 83 3.601 -12.708 -5.807 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.146 -12.548 -7.473 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.908 -11.308 -7.485 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.545 -10.751 -3.773 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.184 -11.405 -4.691 1.00 0.00 H new ATOM 1167 N ILE A 84 2.917 -14.714 -7.734 1.00 0.00 N ATOM 1168 CA ILE A 84 2.106 -15.186 -8.850 1.00 0.00 C ATOM 1169 C ILE A 84 0.641 -15.218 -8.443 1.00 0.00 C ATOM 1170 O ILE A 84 -0.253 -14.990 -9.257 1.00 0.00 O ATOM 1171 CB ILE A 84 2.521 -16.589 -9.318 1.00 0.00 C ATOM 1172 CG1 ILE A 84 3.985 -16.599 -9.765 1.00 0.00 C ATOM 1173 CG2 ILE A 84 1.614 -17.057 -10.447 1.00 0.00 C ATOM 1174 CD1 ILE A 84 4.947 -16.118 -8.705 1.00 0.00 C ATOM 0 H ILE A 84 2.974 -15.364 -6.950 1.00 0.00 H new ATOM 0 HA ILE A 84 2.261 -14.493 -9.677 1.00 0.00 H new ATOM 0 HB ILE A 84 2.417 -17.278 -8.480 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.259 -17.612 -10.059 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.090 -15.971 -10.650 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.919 -18.053 -10.770 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.583 -17.089 -10.096 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.690 -16.365 -11.286 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.965 -16.153 -9.094 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.700 -15.093 -8.427 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.872 -16.760 -7.827 1.00 0.00 H new ATOM 1186 N SER A 85 0.410 -15.489 -7.161 1.00 0.00 N ATOM 1187 CA SER A 85 -0.938 -15.539 -6.612 1.00 0.00 C ATOM 1188 C SER A 85 -1.650 -16.840 -6.975 1.00 0.00 C ATOM 1189 O SER A 85 -2.570 -16.840 -7.793 1.00 0.00 O ATOM 1190 CB SER A 85 -1.757 -14.340 -7.106 1.00 0.00 C ATOM 1191 OG SER A 85 -0.924 -13.351 -7.684 1.00 0.00 O ATOM 0 H SER A 85 1.146 -15.678 -6.481 1.00 0.00 H new ATOM 0 HA SER A 85 -0.851 -15.497 -5.526 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.490 -14.675 -7.840 1.00 0.00 H new ATOM 0 HB3 SER A 85 -2.313 -13.909 -6.274 1.00 0.00 H new ATOM 0 HG SER A 85 -1.359 -12.983 -8.481 1.00 0.00 H new ATOM 1197 N ALA A 86 -1.228 -17.945 -6.353 1.00 0.00 N ATOM 1198 CA ALA A 86 -1.838 -19.252 -6.606 1.00 0.00 C ATOM 1199 C ALA A 86 -0.870 -20.392 -6.293 1.00 0.00 C ATOM 1200 O ALA A 86 -0.011 -20.720 -7.112 1.00 0.00 O ATOM 1201 CB ALA A 86 -2.295 -19.355 -8.053 1.00 0.00 C ATOM 0 H ALA A 86 -0.468 -17.960 -5.673 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.701 -19.343 -5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.746 -20.333 -8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.029 -18.576 -8.259 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.438 -19.230 -8.715 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.012 -21.004 -5.118 1.00 0.00 N ATOM 1208 CA CYS A 87 -0.141 -22.109 -4.742 1.00 0.00 C ATOM 1209 C CYS A 87 -0.263 -23.254 -5.739 1.00 0.00 C ATOM 1210 O CYS A 87 -1.306 -23.436 -6.366 1.00 0.00 O ATOM 1211 CB CYS A 87 -0.456 -22.611 -3.331 1.00 0.00 C ATOM 1212 SG CYS A 87 0.984 -23.340 -2.480 1.00 0.00 S ATOM 0 H CYS A 87 -1.713 -20.755 -4.420 1.00 0.00 H new ATOM 0 HA CYS A 87 0.883 -21.737 -4.753 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.838 -21.782 -2.736 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -1.250 -23.356 -3.388 1.00 0.00 H new ATOM 1217 N ILE A 88 0.811 -24.022 -5.884 1.00 0.00 N ATOM 1218 CA ILE A 88 0.824 -25.146 -6.810 1.00 0.00 C ATOM 1219 C ILE A 88 1.293 -26.422 -6.121 1.00 0.00 C ATOM 1220 O ILE A 88 1.907 -26.317 -5.038 1.00 0.00 O ATOM 1221 CB ILE A 88 1.735 -24.864 -8.020 1.00 0.00 C ATOM 1222 CG1 ILE A 88 1.491 -23.449 -8.555 1.00 0.00 C ATOM 1223 CG2 ILE A 88 1.502 -25.902 -9.106 1.00 0.00 C ATOM 1224 CD1 ILE A 88 1.876 -23.275 -10.008 1.00 0.00 C ATOM 1225 OXT ILE A 88 1.044 -27.516 -6.670 1.00 0.00 O ATOM 0 H ILE A 88 1.683 -23.886 -5.372 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.200 -25.281 -7.158 1.00 0.00 H new ATOM 0 HB ILE A 88 2.775 -24.930 -7.700 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.436 -23.201 -8.435 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.056 -22.739 -7.951 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.152 -25.692 -9.956 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.726 -26.894 -8.715 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.461 -25.865 -9.427 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.676 -22.249 -10.317 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.937 -23.490 -10.131 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.293 -23.960 -10.623 1.00 0.00 H new