USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 617 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 35 HIS : no HE2:sc= -3.44 K(o=-3,f=-9.4!) USER MOD Set 1.2: A 79 TYR OH : rot -130:sc= 0.421 USER MOD Set 2.1: A 71 SER OG : rot 180:sc= 1.05 USER MOD Set 2.2: A 72 LYS NZ :NH3+ -121:sc= 1.55 (180deg=-0.904) USER MOD Set 3.1: A 16 TYR OH : rot -159:sc= 1.64 USER MOD Set 3.2: A 68 SER OG : rot -126:sc= 1.13 USER MOD Set 4.1: A 64 ASN : amide:sc= 0.382 K(o=-2.7,f=-3.5) USER MOD Set 4.2: A 65 ASN : amide:sc= -3.07! C(o=-2.7!,f=-8.7!) USER MOD Set 5.1: A 45 GLN : amide:sc= -0.601! K(o=-0.26!,f=-6.1) USER MOD Set 5.2: A 49 ASN : amide:sc= 1.68 K(o=-0.26,f=-6.1!) USER MOD Set 5.3: A 52 LYS NZ :NH3+ 136:sc= -1.33! (180deg=-2.52!) USER MOD Set 6.1: A 8 SER OG : rot 102:sc= 1.89 USER MOD Set 6.2: A 11 LYS NZ :NH3+ 147:sc= 0.116! (180deg=0.333) USER MOD Single : A 2 ASN : amide:sc= -0.693 K(o=-0.69,f=0.65!) USER MOD Single : A 5 GLN : amide:sc= -1.4 K(o=-1.4,f=-5.7!) USER MOD Single : A 9 LYS NZ :NH3+ 140:sc= -1.73! (180deg=-3.89!) USER MOD Single : A 10 MET CE :methyl 177:sc= -1.33 (180deg=-1.43) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -4.02! K(o=-4!,f=-2.5) USER MOD Single : A 24 SER OG : rot 124:sc= 0.886 USER MOD Single : A 29 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.57) USER MOD Single : A 36 ASN : amide:sc= -5.43! K(o=-5.4!,f=-0.91) USER MOD Single : A 37 GLN : amide:sc= 0.928 K(o=0.93,f=-0.2) USER MOD Single : A 39 GLN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -117:sc= 1.21 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 60 ASN : amide:sc= -1.87! K(o=-1.9!,f=-0.13) USER MOD Single : A 62 ASN : amide:sc= -3.35! K(o=-3.4!,f=-1.7) USER MOD Single : A 74 ASN : amide:sc= 0.0175 X(o=0.018,f=-0.3) USER MOD Single : A 76 ASN : amide:sc= -2.51! K(o=-2.5!,f=-0.29) USER MOD Single : A 80 THR OG1 : rot -130:sc= -0.112 USER MOD Single : A 82 SER OG : rot 180:sc=-0.00841 USER MOD Single : A 88 SER OG : rot 180:sc= 0.0481 USER MOD ----------------------------------------------------------------- ATOM 22 N ASN A 2 -8.575 0.688 11.008 1.00 0.00 N ATOM 23 CA ASN A 2 -8.191 2.028 11.577 1.00 0.00 C ATOM 24 C ASN A 2 -6.999 2.817 10.955 1.00 0.00 C ATOM 25 O ASN A 2 -5.942 2.849 11.537 1.00 0.00 O ATOM 26 CB ASN A 2 -7.955 1.791 13.108 1.00 0.00 C ATOM 27 CG ASN A 2 -9.248 1.297 13.754 1.00 0.00 C ATOM 28 OD1 ASN A 2 -9.852 0.350 13.299 1.00 0.00 O ATOM 29 ND2 ASN A 2 -9.727 1.882 14.801 1.00 0.00 N ATOM 0 HA ASN A 2 -9.015 2.696 11.327 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -7.160 1.060 13.255 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -7.629 2.716 13.584 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -10.592 1.544 15.223 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -9.240 2.682 15.206 1.00 0.00 H new ATOM 36 N CYS A 3 -7.198 3.407 9.805 1.00 0.00 N ATOM 37 CA CYS A 3 -6.181 4.234 9.038 1.00 0.00 C ATOM 38 C CYS A 3 -4.729 4.404 9.597 1.00 0.00 C ATOM 39 O CYS A 3 -3.730 4.068 8.981 1.00 0.00 O ATOM 40 CB CYS A 3 -6.869 5.566 8.878 1.00 0.00 C ATOM 41 SG CYS A 3 -6.116 6.809 7.812 1.00 0.00 S ATOM 0 H CYS A 3 -8.094 3.349 9.321 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.941 3.692 8.123 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.875 5.375 8.503 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.976 6.004 9.871 1.00 0.00 H new ATOM 46 N GLY A 4 -4.670 4.939 10.791 1.00 0.00 N ATOM 47 CA GLY A 4 -3.355 5.168 11.478 1.00 0.00 C ATOM 48 C GLY A 4 -2.516 3.905 11.430 1.00 0.00 C ATOM 49 O GLY A 4 -1.308 3.993 11.364 1.00 0.00 O ATOM 0 H GLY A 4 -5.486 5.232 11.328 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.821 5.987 10.996 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.523 5.463 12.514 1.00 0.00 H new ATOM 53 N GLN A 5 -3.173 2.771 11.478 1.00 0.00 N ATOM 54 CA GLN A 5 -2.436 1.465 11.417 1.00 0.00 C ATOM 55 C GLN A 5 -1.704 1.499 10.053 1.00 0.00 C ATOM 56 O GLN A 5 -0.488 1.491 9.970 1.00 0.00 O ATOM 57 CB GLN A 5 -3.481 0.303 11.494 1.00 0.00 C ATOM 58 CG GLN A 5 -2.800 -1.071 11.157 1.00 0.00 C ATOM 59 CD GLN A 5 -1.766 -1.459 12.215 1.00 0.00 C ATOM 60 OE1 GLN A 5 -0.941 -0.678 12.624 1.00 0.00 O ATOM 61 NE2 GLN A 5 -1.735 -2.650 12.708 1.00 0.00 N ATOM 0 H GLN A 5 -4.187 2.691 11.557 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.729 1.311 12.232 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.918 0.264 12.492 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.297 0.492 10.796 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.561 -1.848 11.088 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.318 -1.010 10.181 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.410 -3.349 12.397 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.036 -2.894 13.409 1.00 0.00 H new ATOM 70 N VAL A 6 -2.524 1.537 9.028 1.00 0.00 N ATOM 71 CA VAL A 6 -2.045 1.589 7.607 1.00 0.00 C ATOM 72 C VAL A 6 -0.790 2.419 7.532 1.00 0.00 C ATOM 73 O VAL A 6 0.241 1.918 7.137 1.00 0.00 O ATOM 74 CB VAL A 6 -3.199 2.188 6.718 1.00 0.00 C ATOM 75 CG1 VAL A 6 -2.809 3.478 5.997 1.00 0.00 C ATOM 76 CG2 VAL A 6 -3.597 1.225 5.633 1.00 0.00 C ATOM 0 H VAL A 6 -3.540 1.534 9.122 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.802 0.593 7.237 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.008 2.385 7.421 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.652 3.833 5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.536 4.237 6.731 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.960 3.286 5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.395 1.662 5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.737 1.018 4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.948 0.296 6.082 1.00 0.00 H new ATOM 86 N ASP A 7 -0.924 3.653 7.931 1.00 0.00 N ATOM 87 CA ASP A 7 0.227 4.584 7.908 1.00 0.00 C ATOM 88 C ASP A 7 1.371 4.041 8.767 1.00 0.00 C ATOM 89 O ASP A 7 2.449 3.848 8.252 1.00 0.00 O ATOM 90 CB ASP A 7 -0.387 5.933 8.350 1.00 0.00 C ATOM 91 CG ASP A 7 0.656 6.913 8.875 1.00 0.00 C ATOM 92 OD1 ASP A 7 1.409 7.387 8.051 1.00 0.00 O ATOM 93 OD2 ASP A 7 0.640 7.108 10.082 1.00 0.00 O ATOM 0 H ASP A 7 -1.795 4.056 8.276 1.00 0.00 H new ATOM 0 HA ASP A 7 0.707 4.709 6.937 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.909 6.383 7.506 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.131 5.752 9.125 1.00 0.00 H new ATOM 98 N SER A 8 1.131 3.792 10.023 1.00 0.00 N ATOM 99 CA SER A 8 2.184 3.250 10.956 1.00 0.00 C ATOM 100 C SER A 8 2.831 1.967 10.446 1.00 0.00 C ATOM 101 O SER A 8 3.898 1.600 10.900 1.00 0.00 O ATOM 102 CB SER A 8 1.511 3.055 12.294 1.00 0.00 C ATOM 103 OG SER A 8 1.107 4.407 12.522 1.00 0.00 O ATOM 0 H SER A 8 0.224 3.943 10.464 1.00 0.00 H new ATOM 0 HA SER A 8 3.013 3.954 11.034 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.670 2.363 12.249 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.190 2.681 13.060 1.00 0.00 H new ATOM 0 HG SER A 8 0.153 4.502 12.320 1.00 0.00 H new ATOM 109 N LYS A 9 2.169 1.323 9.525 1.00 0.00 N ATOM 110 CA LYS A 9 2.702 0.068 8.939 1.00 0.00 C ATOM 111 C LYS A 9 3.484 0.516 7.696 1.00 0.00 C ATOM 112 O LYS A 9 4.671 0.317 7.593 1.00 0.00 O ATOM 113 CB LYS A 9 1.525 -0.845 8.532 1.00 0.00 C ATOM 114 CG LYS A 9 2.000 -2.293 8.196 1.00 0.00 C ATOM 115 CD LYS A 9 3.248 -2.374 7.263 1.00 0.00 C ATOM 116 CE LYS A 9 3.003 -1.922 5.811 1.00 0.00 C ATOM 117 NZ LYS A 9 4.310 -2.021 5.098 1.00 0.00 N ATOM 0 H LYS A 9 1.268 1.620 9.150 1.00 0.00 H new ATOM 0 HA LYS A 9 3.329 -0.491 9.634 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.797 -0.881 9.342 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.018 -0.419 7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.227 -2.811 9.128 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.177 -2.830 7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.043 -1.762 7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.609 -3.402 7.252 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.254 -2.552 5.332 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.625 -0.900 5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.155 -2.392 4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.745 -1.078 5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.942 -2.661 5.619 1.00 0.00 H new ATOM 131 N MET A 10 2.810 1.104 6.756 1.00 0.00 N ATOM 132 CA MET A 10 3.425 1.594 5.492 1.00 0.00 C ATOM 133 C MET A 10 4.702 2.456 5.708 1.00 0.00 C ATOM 134 O MET A 10 5.732 2.207 5.113 1.00 0.00 O ATOM 135 CB MET A 10 2.272 2.345 4.780 1.00 0.00 C ATOM 136 CG MET A 10 1.291 1.348 4.036 1.00 0.00 C ATOM 137 SD MET A 10 0.715 -0.207 4.768 1.00 0.00 S ATOM 138 CE MET A 10 0.924 -1.260 3.303 1.00 0.00 C ATOM 0 H MET A 10 1.806 1.274 6.814 1.00 0.00 H new ATOM 0 HA MET A 10 3.813 0.777 4.884 1.00 0.00 H new ATOM 0 HB2 MET A 10 1.712 2.928 5.511 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.688 3.051 4.061 1.00 0.00 H new ATOM 0 HG2 MET A 10 0.398 1.922 3.788 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.773 1.086 3.094 1.00 0.00 H new ATOM 0 HE1 MET A 10 0.671 -2.290 3.556 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.267 -0.910 2.507 1.00 0.00 H new ATOM 0 HE3 MET A 10 1.960 -1.213 2.966 1.00 0.00 H new ATOM 148 N LYS A 11 4.574 3.445 6.551 1.00 0.00 N ATOM 149 CA LYS A 11 5.665 4.409 6.909 1.00 0.00 C ATOM 150 C LYS A 11 7.132 3.943 6.641 1.00 0.00 C ATOM 151 O LYS A 11 7.764 4.593 5.830 1.00 0.00 O ATOM 152 CB LYS A 11 5.252 4.739 8.367 1.00 0.00 C ATOM 153 CG LYS A 11 5.942 5.891 9.151 1.00 0.00 C ATOM 154 CD LYS A 11 5.102 6.116 10.494 1.00 0.00 C ATOM 155 CE LYS A 11 3.571 6.216 10.193 1.00 0.00 C ATOM 156 NZ LYS A 11 2.760 6.353 11.445 1.00 0.00 N ATOM 0 H LYS A 11 3.699 3.637 7.039 1.00 0.00 H new ATOM 0 HA LYS A 11 5.731 5.289 6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.184 4.955 8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.387 3.829 8.951 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.976 5.634 9.382 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.966 6.803 8.554 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.287 5.293 11.184 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.438 7.027 10.988 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.384 7.072 9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.250 5.328 9.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.925 6.942 11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.454 5.412 11.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.338 6.800 12.186 1.00 0.00 H new ATOM 170 N PRO A 12 7.711 2.898 7.205 1.00 0.00 N ATOM 171 CA PRO A 12 9.132 2.535 6.858 1.00 0.00 C ATOM 172 C PRO A 12 9.259 2.265 5.341 1.00 0.00 C ATOM 173 O PRO A 12 10.146 2.735 4.647 1.00 0.00 O ATOM 174 CB PRO A 12 9.433 1.312 7.750 1.00 0.00 C ATOM 175 CG PRO A 12 8.419 1.490 8.923 1.00 0.00 C ATOM 176 CD PRO A 12 7.142 1.956 8.205 1.00 0.00 C ATOM 0 HA PRO A 12 9.857 3.326 7.047 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.277 0.374 7.218 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.465 1.311 8.102 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.260 0.558 9.465 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.766 2.226 9.649 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.607 1.130 7.737 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.443 2.446 8.883 1.00 0.00 H new ATOM 184 N CYS A 13 8.334 1.502 4.837 1.00 0.00 N ATOM 185 CA CYS A 13 8.356 1.175 3.380 1.00 0.00 C ATOM 186 C CYS A 13 8.205 2.525 2.619 1.00 0.00 C ATOM 187 O CYS A 13 8.781 2.785 1.578 1.00 0.00 O ATOM 188 CB CYS A 13 7.221 0.271 3.124 1.00 0.00 C ATOM 189 SG CYS A 13 6.934 -1.110 4.265 1.00 0.00 S ATOM 0 H CYS A 13 7.565 1.090 5.365 1.00 0.00 H new ATOM 0 HA CYS A 13 9.273 0.684 3.054 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.315 0.876 3.103 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.349 -0.146 2.125 1.00 0.00 H new ATOM 194 N LEU A 14 7.386 3.390 3.173 1.00 0.00 N ATOM 195 CA LEU A 14 7.213 4.726 2.497 1.00 0.00 C ATOM 196 C LEU A 14 8.642 5.256 2.316 1.00 0.00 C ATOM 197 O LEU A 14 9.020 5.726 1.264 1.00 0.00 O ATOM 198 CB LEU A 14 6.421 5.735 3.340 1.00 0.00 C ATOM 199 CG LEU A 14 5.012 5.217 3.596 1.00 0.00 C ATOM 200 CD1 LEU A 14 4.200 6.370 4.131 1.00 0.00 C ATOM 201 CD2 LEU A 14 4.332 4.680 2.336 1.00 0.00 C ATOM 0 H LEU A 14 6.849 3.244 4.027 1.00 0.00 H new ATOM 0 HA LEU A 14 6.654 4.603 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.931 5.907 4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.375 6.694 2.824 1.00 0.00 H new ATOM 0 HG LEU A 14 5.076 4.386 4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.181 6.037 4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.648 6.732 5.056 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.184 7.175 3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.332 4.326 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.261 5.475 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.918 3.855 1.930 1.00 0.00 H new ATOM 213 N THR A 15 9.428 5.170 3.365 1.00 0.00 N ATOM 214 CA THR A 15 10.846 5.643 3.268 1.00 0.00 C ATOM 215 C THR A 15 11.374 4.991 1.977 1.00 0.00 C ATOM 216 O THR A 15 11.916 5.647 1.110 1.00 0.00 O ATOM 217 CB THR A 15 11.525 5.197 4.566 1.00 0.00 C ATOM 218 OG1 THR A 15 11.967 6.415 5.132 1.00 0.00 O ATOM 219 CG2 THR A 15 12.735 4.380 4.314 1.00 0.00 C ATOM 0 H THR A 15 9.153 4.797 4.274 1.00 0.00 H new ATOM 0 HA THR A 15 11.013 6.717 3.191 1.00 0.00 H new ATOM 0 HB THR A 15 10.846 4.602 5.177 1.00 0.00 H new ATOM 0 HG1 THR A 15 12.421 6.235 5.982 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.181 4.088 5.265 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.461 3.487 3.752 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.455 4.963 3.739 1.00 0.00 H new ATOM 227 N TYR A 16 11.186 3.699 1.881 1.00 0.00 N ATOM 228 CA TYR A 16 11.636 2.933 0.653 1.00 0.00 C ATOM 229 C TYR A 16 11.092 3.652 -0.619 1.00 0.00 C ATOM 230 O TYR A 16 11.922 4.143 -1.359 1.00 0.00 O ATOM 231 CB TYR A 16 11.127 1.462 0.872 1.00 0.00 C ATOM 232 CG TYR A 16 10.719 0.606 -0.345 1.00 0.00 C ATOM 233 CD1 TYR A 16 11.642 0.122 -1.243 1.00 0.00 C ATOM 234 CD2 TYR A 16 9.387 0.258 -0.517 1.00 0.00 C ATOM 235 CE1 TYR A 16 11.244 -0.700 -2.282 1.00 0.00 C ATOM 236 CE2 TYR A 16 8.987 -0.565 -1.552 1.00 0.00 C ATOM 237 CZ TYR A 16 9.926 -1.052 -2.441 1.00 0.00 C ATOM 238 OH TYR A 16 9.552 -1.905 -3.455 1.00 0.00 O ATOM 0 H TYR A 16 10.739 3.129 2.599 1.00 0.00 H new ATOM 0 HA TYR A 16 12.715 2.899 0.504 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.911 0.922 1.402 1.00 0.00 H new ATOM 0 HB3 TYR A 16 10.266 1.511 1.539 1.00 0.00 H new ATOM 0 HD1 TYR A 16 12.684 0.385 -1.136 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.648 0.638 0.172 1.00 0.00 H new ATOM 0 HE1 TYR A 16 11.981 -1.071 -2.979 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.945 -0.826 -1.666 1.00 0.00 H new ATOM 0 HH TYR A 16 8.596 -1.793 -3.641 1.00 0.00 H new ATOM 248 N VAL A 17 9.805 3.723 -0.862 1.00 0.00 N ATOM 249 CA VAL A 17 9.264 4.431 -2.088 1.00 0.00 C ATOM 250 C VAL A 17 9.845 5.855 -2.301 1.00 0.00 C ATOM 251 O VAL A 17 9.859 6.286 -3.439 1.00 0.00 O ATOM 252 CB VAL A 17 7.687 4.513 -2.028 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.036 3.102 -2.107 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.249 5.129 -0.724 1.00 0.00 C ATOM 0 H VAL A 17 9.089 3.317 -0.260 1.00 0.00 H new ATOM 0 HA VAL A 17 9.584 3.829 -2.939 1.00 0.00 H new ATOM 0 HB VAL A 17 7.370 5.116 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.951 3.199 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.320 2.622 -3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.380 2.495 -1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.161 5.181 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.607 4.519 0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.662 6.134 -0.639 1.00 0.00 H new ATOM 264 N GLN A 18 10.289 6.546 -1.271 1.00 0.00 N ATOM 265 CA GLN A 18 10.861 7.925 -1.495 1.00 0.00 C ATOM 266 C GLN A 18 12.383 7.797 -1.721 1.00 0.00 C ATOM 267 O GLN A 18 12.966 8.573 -2.451 1.00 0.00 O ATOM 268 CB GLN A 18 10.657 8.894 -0.252 1.00 0.00 C ATOM 269 CG GLN A 18 9.929 8.268 0.948 1.00 0.00 C ATOM 270 CD GLN A 18 9.839 9.198 2.176 1.00 0.00 C ATOM 271 OE1 GLN A 18 9.857 10.407 2.090 1.00 0.00 O ATOM 272 NE2 GLN A 18 9.727 8.680 3.359 1.00 0.00 N ATOM 0 H GLN A 18 10.282 6.226 -0.303 1.00 0.00 H new ATOM 0 HA GLN A 18 10.338 8.348 -2.353 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.634 9.246 0.079 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.097 9.769 -0.581 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.921 7.986 0.643 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.444 7.351 1.235 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.708 7.666 3.472 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.658 9.286 4.177 1.00 0.00 H new ATOM 281 N GLY A 19 12.986 6.833 -1.086 1.00 0.00 N ATOM 282 CA GLY A 19 14.463 6.605 -1.220 1.00 0.00 C ATOM 283 C GLY A 19 15.016 5.933 0.032 1.00 0.00 C ATOM 284 O GLY A 19 15.939 6.405 0.667 1.00 0.00 O ATOM 0 H GLY A 19 12.513 6.176 -0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.663 5.983 -2.092 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.970 7.556 -1.384 1.00 0.00 H new ATOM 288 N GLY A 20 14.407 4.814 0.332 1.00 0.00 N ATOM 289 CA GLY A 20 14.818 4.007 1.534 1.00 0.00 C ATOM 290 C GLY A 20 15.603 2.767 1.122 1.00 0.00 C ATOM 291 O GLY A 20 15.498 2.310 0.003 1.00 0.00 O ATOM 0 H GLY A 20 13.636 4.417 -0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.426 4.622 2.198 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.933 3.710 2.096 1.00 0.00 H new ATOM 295 N PRO A 21 16.367 2.211 2.032 1.00 0.00 N ATOM 296 CA PRO A 21 17.257 1.043 1.762 1.00 0.00 C ATOM 297 C PRO A 21 16.421 -0.190 2.168 1.00 0.00 C ATOM 298 O PRO A 21 16.839 -1.073 2.892 1.00 0.00 O ATOM 299 CB PRO A 21 18.443 1.368 2.644 1.00 0.00 C ATOM 300 CG PRO A 21 17.728 1.858 3.948 1.00 0.00 C ATOM 301 CD PRO A 21 16.476 2.651 3.451 1.00 0.00 C ATOM 0 HA PRO A 21 17.606 0.847 0.748 1.00 0.00 H new ATOM 0 HB2 PRO A 21 19.073 0.497 2.823 1.00 0.00 H new ATOM 0 HB3 PRO A 21 19.080 2.139 2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 21 17.438 1.017 4.578 1.00 0.00 H new ATOM 0 HG3 PRO A 21 18.385 2.491 4.544 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.583 2.402 4.024 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.618 3.729 3.533 1.00 0.00 H new ATOM 309 N GLY A 22 15.232 -0.147 1.634 1.00 0.00 N ATOM 310 CA GLY A 22 14.166 -1.177 1.831 1.00 0.00 C ATOM 311 C GLY A 22 13.709 -1.821 0.509 1.00 0.00 C ATOM 312 O GLY A 22 14.215 -1.489 -0.546 1.00 0.00 O ATOM 0 H GLY A 22 14.937 0.616 1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.537 -1.954 2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.308 -0.717 2.322 1.00 0.00 H new ATOM 316 N PRO A 23 12.757 -2.726 0.583 1.00 0.00 N ATOM 317 CA PRO A 23 12.035 -3.179 1.813 1.00 0.00 C ATOM 318 C PRO A 23 12.755 -4.372 2.517 1.00 0.00 C ATOM 319 O PRO A 23 13.611 -5.026 1.949 1.00 0.00 O ATOM 320 CB PRO A 23 10.613 -3.516 1.262 1.00 0.00 C ATOM 321 CG PRO A 23 10.721 -3.222 -0.286 1.00 0.00 C ATOM 322 CD PRO A 23 12.210 -3.432 -0.595 1.00 0.00 C ATOM 0 HA PRO A 23 11.999 -2.435 2.608 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.348 -4.556 1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.847 -2.900 1.732 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.093 -3.898 -0.866 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.402 -2.207 -0.524 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.494 -4.484 -0.632 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.517 -2.985 -1.541 1.00 0.00 H new ATOM 330 N SER A 24 12.377 -4.611 3.749 1.00 0.00 N ATOM 331 CA SER A 24 12.957 -5.723 4.601 1.00 0.00 C ATOM 332 C SER A 24 12.098 -7.016 4.633 1.00 0.00 C ATOM 333 O SER A 24 12.319 -7.883 5.455 1.00 0.00 O ATOM 334 CB SER A 24 13.107 -5.244 6.085 1.00 0.00 C ATOM 335 OG SER A 24 13.144 -3.819 6.085 1.00 0.00 O ATOM 0 H SER A 24 11.661 -4.063 4.227 1.00 0.00 H new ATOM 0 HA SER A 24 13.915 -5.958 4.138 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.273 -5.604 6.688 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.018 -5.649 6.526 1.00 0.00 H new ATOM 0 HG SER A 24 12.442 -3.474 6.675 1.00 0.00 H new ATOM 341 N GLY A 25 11.131 -7.136 3.757 1.00 0.00 N ATOM 342 CA GLY A 25 10.253 -8.380 3.762 1.00 0.00 C ATOM 343 C GLY A 25 8.968 -7.988 4.523 1.00 0.00 C ATOM 344 O GLY A 25 7.846 -8.312 4.155 1.00 0.00 O ATOM 0 H GLY A 25 10.902 -6.445 3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.023 -8.700 2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.758 -9.213 4.251 1.00 0.00 H new ATOM 348 N GLU A 26 9.237 -7.286 5.606 1.00 0.00 N ATOM 349 CA GLU A 26 8.178 -6.753 6.538 1.00 0.00 C ATOM 350 C GLU A 26 7.000 -6.243 5.727 1.00 0.00 C ATOM 351 O GLU A 26 5.895 -6.680 5.948 1.00 0.00 O ATOM 352 CB GLU A 26 8.770 -5.582 7.410 1.00 0.00 C ATOM 353 CG GLU A 26 9.254 -4.339 6.534 1.00 0.00 C ATOM 354 CD GLU A 26 9.961 -3.231 7.321 1.00 0.00 C ATOM 355 OE1 GLU A 26 10.999 -3.561 7.875 1.00 0.00 O ATOM 356 OE2 GLU A 26 9.418 -2.135 7.299 1.00 0.00 O ATOM 0 H GLU A 26 10.187 -7.051 5.893 1.00 0.00 H new ATOM 0 HA GLU A 26 7.845 -7.554 7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.014 -5.247 8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.611 -5.959 7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.929 -4.701 5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.388 -3.910 6.029 1.00 0.00 H new ATOM 363 N CYS A 27 7.276 -5.338 4.821 1.00 0.00 N ATOM 364 CA CYS A 27 6.234 -4.757 3.955 1.00 0.00 C ATOM 365 C CYS A 27 5.443 -5.898 3.348 1.00 0.00 C ATOM 366 O CYS A 27 4.361 -6.154 3.824 1.00 0.00 O ATOM 367 CB CYS A 27 6.944 -3.921 2.907 1.00 0.00 C ATOM 368 SG CYS A 27 8.048 -2.623 3.528 1.00 0.00 S ATOM 0 H CYS A 27 8.214 -4.974 4.650 1.00 0.00 H new ATOM 0 HA CYS A 27 5.535 -4.119 4.495 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.525 -4.590 2.272 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.190 -3.455 2.273 1.00 0.00 H new ATOM 373 N CYS A 28 5.980 -6.537 2.344 1.00 0.00 N ATOM 374 CA CYS A 28 5.262 -7.679 1.699 1.00 0.00 C ATOM 375 C CYS A 28 4.309 -8.425 2.620 1.00 0.00 C ATOM 376 O CYS A 28 3.168 -8.684 2.294 1.00 0.00 O ATOM 377 CB CYS A 28 6.331 -8.593 1.161 1.00 0.00 C ATOM 378 SG CYS A 28 7.298 -7.795 -0.134 1.00 0.00 S ATOM 0 H CYS A 28 6.890 -6.317 1.939 1.00 0.00 H new ATOM 0 HA CYS A 28 4.611 -7.294 0.914 1.00 0.00 H new ATOM 0 HB2 CYS A 28 6.991 -8.899 1.973 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.871 -9.499 0.766 1.00 0.00 H new ATOM 383 N ASN A 29 4.854 -8.713 3.767 1.00 0.00 N ATOM 384 CA ASN A 29 4.080 -9.454 4.816 1.00 0.00 C ATOM 385 C ASN A 29 2.956 -8.612 5.461 1.00 0.00 C ATOM 386 O ASN A 29 1.787 -8.919 5.315 1.00 0.00 O ATOM 387 CB ASN A 29 5.120 -9.953 5.878 1.00 0.00 C ATOM 388 CG ASN A 29 5.021 -11.476 5.940 1.00 0.00 C ATOM 389 OD1 ASN A 29 3.960 -12.052 5.885 1.00 0.00 O ATOM 390 ND2 ASN A 29 6.076 -12.213 6.049 1.00 0.00 N ATOM 0 H ASN A 29 5.808 -8.468 4.031 1.00 0.00 H new ATOM 0 HA ASN A 29 3.555 -10.291 4.357 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.128 -9.646 5.601 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.911 -9.515 6.854 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.987 -13.229 6.084 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.998 -11.780 6.100 1.00 0.00 H new ATOM 397 N GLY A 30 3.330 -7.560 6.145 1.00 0.00 N ATOM 398 CA GLY A 30 2.333 -6.656 6.820 1.00 0.00 C ATOM 399 C GLY A 30 1.270 -6.256 5.804 1.00 0.00 C ATOM 400 O GLY A 30 0.097 -6.161 6.089 1.00 0.00 O ATOM 0 H GLY A 30 4.303 -7.280 6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.873 -7.166 7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.832 -5.770 7.214 1.00 0.00 H new ATOM 404 N VAL A 31 1.749 -6.029 4.612 1.00 0.00 N ATOM 405 CA VAL A 31 0.880 -5.629 3.455 1.00 0.00 C ATOM 406 C VAL A 31 -0.145 -6.708 3.258 1.00 0.00 C ATOM 407 O VAL A 31 -1.328 -6.446 3.355 1.00 0.00 O ATOM 408 CB VAL A 31 1.689 -5.515 2.176 1.00 0.00 C ATOM 409 CG1 VAL A 31 0.727 -5.111 1.033 1.00 0.00 C ATOM 410 CG2 VAL A 31 2.632 -4.388 2.343 1.00 0.00 C ATOM 0 H VAL A 31 2.739 -6.106 4.380 1.00 0.00 H new ATOM 0 HA VAL A 31 0.424 -4.663 3.671 1.00 0.00 H new ATOM 0 HB VAL A 31 2.201 -6.453 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.286 -5.022 0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.046 -5.872 0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.262 -4.154 1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.231 -4.278 1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.073 -3.469 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.288 -4.585 3.191 1.00 0.00 H new ATOM 420 N ARG A 32 0.326 -7.896 2.956 1.00 0.00 N ATOM 421 CA ARG A 32 -0.620 -9.032 2.756 1.00 0.00 C ATOM 422 C ARG A 32 -1.609 -8.977 3.941 1.00 0.00 C ATOM 423 O ARG A 32 -2.792 -9.002 3.693 1.00 0.00 O ATOM 424 CB ARG A 32 0.262 -10.269 2.688 1.00 0.00 C ATOM 425 CG ARG A 32 1.010 -10.160 1.307 1.00 0.00 C ATOM 426 CD ARG A 32 2.194 -11.123 1.012 1.00 0.00 C ATOM 427 NE ARG A 32 1.715 -12.535 0.764 1.00 0.00 N ATOM 428 CZ ARG A 32 1.607 -12.951 -0.439 1.00 0.00 C ATOM 429 NH1 ARG A 32 2.605 -13.134 -1.199 1.00 0.00 N ATOM 430 NH2 ARG A 32 0.438 -13.173 -0.853 1.00 0.00 N ATOM 0 H ARG A 32 1.314 -8.123 2.841 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.227 -9.015 1.850 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.968 -10.297 3.518 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.332 -11.181 2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.269 -10.299 0.520 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.385 -9.141 1.216 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.745 -10.767 0.141 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.888 -11.116 1.853 1.00 0.00 H new ATOM 0 HE ARG A 32 1.481 -13.147 1.546 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.548 -12.947 -0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.465 -13.468 -2.153 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.359 -13.019 -0.236 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.289 -13.507 -1.805 1.00 0.00 H new ATOM 444 N ASP A 33 -1.125 -8.901 5.163 1.00 0.00 N ATOM 445 CA ASP A 33 -2.076 -8.822 6.342 1.00 0.00 C ATOM 446 C ASP A 33 -3.186 -7.798 5.980 1.00 0.00 C ATOM 447 O ASP A 33 -4.343 -8.160 5.927 1.00 0.00 O ATOM 448 CB ASP A 33 -1.306 -8.348 7.598 1.00 0.00 C ATOM 449 CG ASP A 33 -1.359 -9.366 8.735 1.00 0.00 C ATOM 450 OD1 ASP A 33 -2.375 -9.372 9.415 1.00 0.00 O ATOM 451 OD2 ASP A 33 -0.368 -10.065 8.843 1.00 0.00 O ATOM 0 H ASP A 33 -0.133 -8.890 5.400 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.514 -9.797 6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.266 -8.158 7.333 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.725 -7.402 7.942 1.00 0.00 H new ATOM 456 N LEU A 34 -2.844 -6.554 5.717 1.00 0.00 N ATOM 457 CA LEU A 34 -3.957 -5.595 5.366 1.00 0.00 C ATOM 458 C LEU A 34 -4.739 -6.149 4.167 1.00 0.00 C ATOM 459 O LEU A 34 -5.937 -5.987 4.150 1.00 0.00 O ATOM 460 CB LEU A 34 -3.513 -4.185 4.892 1.00 0.00 C ATOM 461 CG LEU A 34 -2.636 -3.437 5.913 1.00 0.00 C ATOM 462 CD1 LEU A 34 -1.207 -3.454 5.453 1.00 0.00 C ATOM 463 CD2 LEU A 34 -3.038 -1.958 5.955 1.00 0.00 C ATOM 0 H LEU A 34 -1.898 -6.172 5.727 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.516 -5.500 6.297 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.963 -4.282 3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.399 -3.587 4.680 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.760 -3.918 6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.586 -2.925 6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.865 -4.485 5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.131 -2.964 4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.415 -1.432 6.679 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.901 -1.515 4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.085 -1.874 6.248 1.00 0.00 H new ATOM 475 N HIS A 35 -4.082 -6.795 3.226 1.00 0.00 N ATOM 476 CA HIS A 35 -4.789 -7.346 2.015 1.00 0.00 C ATOM 477 C HIS A 35 -5.616 -8.631 2.308 1.00 0.00 C ATOM 478 O HIS A 35 -6.408 -9.063 1.494 1.00 0.00 O ATOM 479 CB HIS A 35 -3.655 -7.562 0.991 1.00 0.00 C ATOM 480 CG HIS A 35 -4.119 -7.790 -0.443 1.00 0.00 C ATOM 481 ND1 HIS A 35 -4.921 -8.717 -0.836 1.00 0.00 N ATOM 482 CD2 HIS A 35 -3.801 -7.113 -1.599 1.00 0.00 C ATOM 483 CE1 HIS A 35 -5.096 -8.645 -2.119 1.00 0.00 C ATOM 484 NE2 HIS A 35 -4.413 -7.657 -2.632 1.00 0.00 N ATOM 0 H HIS A 35 -3.077 -6.966 3.245 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.553 -6.664 1.642 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.997 -6.693 1.011 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.060 -8.419 1.305 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -5.356 -9.409 -0.226 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.144 -6.258 -1.652 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.724 -9.314 -2.688 1.00 0.00 H new ATOM 492 N ASN A 36 -5.363 -9.215 3.447 1.00 0.00 N ATOM 493 CA ASN A 36 -6.029 -10.465 3.974 1.00 0.00 C ATOM 494 C ASN A 36 -7.144 -10.105 4.985 1.00 0.00 C ATOM 495 O ASN A 36 -8.164 -10.763 5.079 1.00 0.00 O ATOM 496 CB ASN A 36 -4.918 -11.340 4.621 1.00 0.00 C ATOM 497 CG ASN A 36 -3.847 -11.699 3.593 1.00 0.00 C ATOM 498 OD1 ASN A 36 -2.948 -12.472 3.823 1.00 0.00 O ATOM 499 ND2 ASN A 36 -3.859 -11.180 2.413 1.00 0.00 N ATOM 0 H ASN A 36 -4.663 -8.849 4.092 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.514 -11.019 3.170 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.464 -10.803 5.454 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.357 -12.250 5.030 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.136 -11.430 1.738 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -4.592 -10.519 2.154 1.00 0.00 H new ATOM 506 N GLN A 37 -6.876 -9.042 5.699 1.00 0.00 N ATOM 507 CA GLN A 37 -7.802 -8.490 6.737 1.00 0.00 C ATOM 508 C GLN A 37 -8.863 -7.728 5.922 1.00 0.00 C ATOM 509 O GLN A 37 -10.051 -7.906 6.114 1.00 0.00 O ATOM 510 CB GLN A 37 -7.035 -7.489 7.677 1.00 0.00 C ATOM 511 CG GLN A 37 -6.070 -8.164 8.724 1.00 0.00 C ATOM 512 CD GLN A 37 -5.435 -7.124 9.686 1.00 0.00 C ATOM 513 OE1 GLN A 37 -6.050 -6.171 10.129 1.00 0.00 O ATOM 514 NE2 GLN A 37 -4.199 -7.246 10.067 1.00 0.00 N ATOM 0 H GLN A 37 -6.012 -8.509 5.600 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.227 -9.266 7.374 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.454 -6.806 7.058 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.767 -6.887 8.216 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.624 -8.903 9.303 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.280 -8.699 8.197 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.635 -8.025 9.728 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.792 -6.562 10.705 1.00 0.00 H new ATOM 523 N ALA A 38 -8.406 -6.895 5.023 1.00 0.00 N ATOM 524 CA ALA A 38 -9.371 -6.124 4.187 1.00 0.00 C ATOM 525 C ALA A 38 -9.791 -7.125 3.067 1.00 0.00 C ATOM 526 O ALA A 38 -8.929 -7.695 2.419 1.00 0.00 O ATOM 527 CB ALA A 38 -8.585 -4.925 3.685 1.00 0.00 C ATOM 0 H ALA A 38 -7.420 -6.717 4.834 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.271 -5.753 4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.227 -4.305 3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.232 -4.340 4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.731 -5.268 3.101 1.00 0.00 H new ATOM 533 N GLN A 39 -11.069 -7.308 2.856 1.00 0.00 N ATOM 534 CA GLN A 39 -11.568 -8.265 1.812 1.00 0.00 C ATOM 535 C GLN A 39 -12.275 -7.624 0.597 1.00 0.00 C ATOM 536 O GLN A 39 -11.869 -7.866 -0.531 1.00 0.00 O ATOM 537 CB GLN A 39 -12.492 -9.223 2.556 1.00 0.00 C ATOM 538 CG GLN A 39 -11.678 -10.002 3.650 1.00 0.00 C ATOM 539 CD GLN A 39 -12.562 -10.234 4.857 1.00 0.00 C ATOM 540 OE1 GLN A 39 -13.500 -10.999 4.837 1.00 0.00 O ATOM 541 NE2 GLN A 39 -12.313 -9.588 5.948 1.00 0.00 N ATOM 0 H GLN A 39 -11.805 -6.826 3.372 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.714 -8.760 1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.307 -8.669 3.021 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.943 -9.926 1.856 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -11.329 -10.955 3.251 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.793 -9.433 3.936 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.528 -8.938 5.988 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.902 -9.728 6.769 1.00 0.00 H new ATOM 550 N SER A 40 -13.271 -6.826 0.855 1.00 0.00 N ATOM 551 CA SER A 40 -14.027 -6.162 -0.251 1.00 0.00 C ATOM 552 C SER A 40 -13.828 -4.648 -0.254 1.00 0.00 C ATOM 553 O SER A 40 -13.562 -4.023 0.755 1.00 0.00 O ATOM 554 CB SER A 40 -15.516 -6.485 -0.096 1.00 0.00 C ATOM 555 OG SER A 40 -15.559 -7.865 -0.449 1.00 0.00 O ATOM 0 H SER A 40 -13.600 -6.601 1.794 1.00 0.00 H new ATOM 0 HA SER A 40 -13.647 -6.542 -1.199 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.867 -6.313 0.922 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.136 -5.876 -0.754 1.00 0.00 H new ATOM 0 HG SER A 40 -16.481 -8.191 -0.384 1.00 0.00 H new ATOM 561 N SER A 41 -13.980 -4.108 -1.435 1.00 0.00 N ATOM 562 CA SER A 41 -13.834 -2.640 -1.704 1.00 0.00 C ATOM 563 C SER A 41 -14.019 -1.723 -0.475 1.00 0.00 C ATOM 564 O SER A 41 -13.201 -0.872 -0.221 1.00 0.00 O ATOM 565 CB SER A 41 -14.839 -2.293 -2.811 1.00 0.00 C ATOM 566 OG SER A 41 -14.552 -3.247 -3.843 1.00 0.00 O ATOM 0 H SER A 41 -14.211 -4.651 -2.267 1.00 0.00 H new ATOM 0 HA SER A 41 -12.803 -2.452 -2.004 1.00 0.00 H new ATOM 0 HB2 SER A 41 -15.867 -2.380 -2.460 1.00 0.00 H new ATOM 0 HB3 SER A 41 -14.708 -1.270 -3.164 1.00 0.00 H new ATOM 0 HG SER A 41 -14.242 -2.778 -4.645 1.00 0.00 H new ATOM 572 N GLY A 42 -15.090 -1.937 0.247 1.00 0.00 N ATOM 573 CA GLY A 42 -15.432 -1.135 1.483 1.00 0.00 C ATOM 574 C GLY A 42 -14.399 -1.083 2.627 1.00 0.00 C ATOM 575 O GLY A 42 -14.234 -0.043 3.230 1.00 0.00 O ATOM 0 H GLY A 42 -15.773 -2.662 0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.634 -0.111 1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.361 -1.533 1.891 1.00 0.00 H new ATOM 579 N ASP A 43 -13.717 -2.157 2.927 1.00 0.00 N ATOM 580 CA ASP A 43 -12.713 -2.127 4.039 1.00 0.00 C ATOM 581 C ASP A 43 -11.436 -1.465 3.444 1.00 0.00 C ATOM 582 O ASP A 43 -10.817 -0.579 4.018 1.00 0.00 O ATOM 583 CB ASP A 43 -12.555 -3.647 4.518 1.00 0.00 C ATOM 584 CG ASP A 43 -12.385 -4.664 3.398 1.00 0.00 C ATOM 585 OD1 ASP A 43 -11.433 -4.516 2.669 1.00 0.00 O ATOM 586 OD2 ASP A 43 -13.207 -5.552 3.318 1.00 0.00 O ATOM 0 H ASP A 43 -13.810 -3.055 2.452 1.00 0.00 H new ATOM 0 HA ASP A 43 -12.979 -1.545 4.922 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.694 -3.714 5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -13.432 -3.920 5.105 1.00 0.00 H new ATOM 591 N ARG A 44 -11.126 -1.955 2.268 1.00 0.00 N ATOM 592 CA ARG A 44 -9.954 -1.496 1.460 1.00 0.00 C ATOM 593 C ARG A 44 -10.041 0.029 1.326 1.00 0.00 C ATOM 594 O ARG A 44 -9.123 0.692 1.725 1.00 0.00 O ATOM 595 CB ARG A 44 -10.010 -2.194 0.071 1.00 0.00 C ATOM 596 CG ARG A 44 -8.704 -2.977 -0.213 1.00 0.00 C ATOM 597 CD ARG A 44 -8.672 -4.284 0.547 1.00 0.00 C ATOM 598 NE ARG A 44 -8.481 -5.331 -0.499 1.00 0.00 N ATOM 599 CZ ARG A 44 -9.412 -6.166 -0.721 1.00 0.00 C ATOM 600 NH1 ARG A 44 -9.423 -7.229 -0.042 1.00 0.00 N ATOM 601 NH2 ARG A 44 -10.296 -5.923 -1.596 1.00 0.00 N ATOM 0 H ARG A 44 -11.667 -2.692 1.815 1.00 0.00 H new ATOM 0 HA ARG A 44 -9.008 -1.754 1.935 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.861 -2.875 0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -10.167 -1.448 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.620 -3.173 -1.282 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.844 -2.369 0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.860 -4.299 1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.598 -4.442 1.100 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.611 -5.376 -1.030 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.700 -7.395 0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.155 -7.923 -0.193 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.262 -5.053 -2.127 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.041 -6.598 -1.769 1.00 0.00 H new ATOM 615 N GLN A 45 -11.098 0.553 0.765 1.00 0.00 N ATOM 616 CA GLN A 45 -11.307 2.032 0.592 1.00 0.00 C ATOM 617 C GLN A 45 -10.640 2.882 1.705 1.00 0.00 C ATOM 618 O GLN A 45 -9.662 3.548 1.438 1.00 0.00 O ATOM 619 CB GLN A 45 -12.864 2.267 0.529 1.00 0.00 C ATOM 620 CG GLN A 45 -13.241 2.928 -0.832 1.00 0.00 C ATOM 621 CD GLN A 45 -12.471 4.228 -0.903 1.00 0.00 C ATOM 622 OE1 GLN A 45 -12.807 5.189 -0.253 1.00 0.00 O ATOM 623 NE2 GLN A 45 -11.416 4.322 -1.652 1.00 0.00 N ATOM 0 H GLN A 45 -11.866 -0.010 0.400 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.822 2.364 -0.326 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -13.389 1.319 0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -13.179 2.906 1.354 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.980 2.276 -1.666 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -14.314 3.109 -0.892 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.114 3.523 -2.210 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.889 5.195 -1.683 1.00 0.00 H new ATOM 632 N THR A 46 -11.177 2.838 2.905 1.00 0.00 N ATOM 633 CA THR A 46 -10.600 3.617 4.066 1.00 0.00 C ATOM 634 C THR A 46 -9.062 3.488 4.059 1.00 0.00 C ATOM 635 O THR A 46 -8.318 4.442 4.000 1.00 0.00 O ATOM 636 CB THR A 46 -11.157 3.053 5.400 1.00 0.00 C ATOM 637 OG1 THR A 46 -12.549 3.315 5.410 1.00 0.00 O ATOM 638 CG2 THR A 46 -10.676 3.892 6.574 1.00 0.00 C ATOM 0 H THR A 46 -12.004 2.288 3.138 1.00 0.00 H new ATOM 0 HA THR A 46 -10.879 4.666 3.971 1.00 0.00 H new ATOM 0 HB THR A 46 -10.864 2.006 5.477 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.941 2.971 6.240 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.076 3.483 7.502 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.587 3.876 6.610 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.020 4.919 6.452 1.00 0.00 H new ATOM 646 N VAL A 47 -8.619 2.266 4.114 1.00 0.00 N ATOM 647 CA VAL A 47 -7.155 1.961 4.110 1.00 0.00 C ATOM 648 C VAL A 47 -6.441 2.547 2.855 1.00 0.00 C ATOM 649 O VAL A 47 -5.471 3.262 2.979 1.00 0.00 O ATOM 650 CB VAL A 47 -7.088 0.412 4.229 1.00 0.00 C ATOM 651 CG1 VAL A 47 -5.946 -0.180 3.454 1.00 0.00 C ATOM 652 CG2 VAL A 47 -6.877 0.015 5.691 1.00 0.00 C ATOM 0 H VAL A 47 -9.221 1.444 4.163 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.615 2.432 4.931 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.029 0.035 3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.948 -1.263 3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.055 0.069 2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.005 0.224 3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.831 -1.071 5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.944 0.445 6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.706 0.387 6.292 1.00 0.00 H new ATOM 662 N CYS A 48 -6.915 2.238 1.677 1.00 0.00 N ATOM 663 CA CYS A 48 -6.319 2.744 0.389 1.00 0.00 C ATOM 664 C CYS A 48 -6.221 4.254 0.515 1.00 0.00 C ATOM 665 O CYS A 48 -5.167 4.816 0.365 1.00 0.00 O ATOM 666 CB CYS A 48 -7.226 2.385 -0.808 1.00 0.00 C ATOM 667 SG CYS A 48 -6.478 2.402 -2.456 1.00 0.00 S ATOM 0 H CYS A 48 -7.724 1.631 1.543 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.343 2.291 0.216 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -7.635 1.390 -0.634 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -8.067 3.078 -0.813 1.00 0.00 H new ATOM 672 N ASN A 49 -7.325 4.879 0.798 1.00 0.00 N ATOM 673 CA ASN A 49 -7.342 6.356 0.954 1.00 0.00 C ATOM 674 C ASN A 49 -6.232 6.802 1.922 1.00 0.00 C ATOM 675 O ASN A 49 -5.598 7.804 1.679 1.00 0.00 O ATOM 676 CB ASN A 49 -8.743 6.699 1.431 1.00 0.00 C ATOM 677 CG ASN A 49 -9.724 6.465 0.304 1.00 0.00 C ATOM 678 OD1 ASN A 49 -9.400 6.073 -0.803 1.00 0.00 O ATOM 679 ND2 ASN A 49 -10.963 6.706 0.548 1.00 0.00 N ATOM 0 H ASN A 49 -8.228 4.424 0.930 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.132 6.887 0.025 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.007 6.085 2.292 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.785 7.739 1.756 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.663 6.569 -0.181 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.246 7.035 1.471 1.00 0.00 H new ATOM 686 N CYS A 50 -6.022 6.066 2.981 1.00 0.00 N ATOM 687 CA CYS A 50 -4.939 6.443 3.961 1.00 0.00 C ATOM 688 C CYS A 50 -3.528 6.145 3.379 1.00 0.00 C ATOM 689 O CYS A 50 -2.684 7.014 3.381 1.00 0.00 O ATOM 690 CB CYS A 50 -5.210 5.656 5.232 1.00 0.00 C ATOM 691 SG CYS A 50 -6.762 6.099 6.042 1.00 0.00 S ATOM 0 H CYS A 50 -6.546 5.223 3.217 1.00 0.00 H new ATOM 0 HA CYS A 50 -4.951 7.513 4.170 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.225 4.592 4.994 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -4.388 5.815 5.930 1.00 0.00 H new ATOM 696 N LEU A 51 -3.293 4.952 2.896 1.00 0.00 N ATOM 697 CA LEU A 51 -1.959 4.579 2.300 1.00 0.00 C ATOM 698 C LEU A 51 -1.658 5.594 1.162 1.00 0.00 C ATOM 699 O LEU A 51 -0.555 6.059 0.943 1.00 0.00 O ATOM 700 CB LEU A 51 -2.092 3.078 1.813 1.00 0.00 C ATOM 701 CG LEU A 51 -1.429 2.742 0.407 1.00 0.00 C ATOM 702 CD1 LEU A 51 -1.141 1.232 0.239 1.00 0.00 C ATOM 703 CD2 LEU A 51 -2.412 2.998 -0.748 1.00 0.00 C ATOM 0 H LEU A 51 -3.981 4.199 2.886 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.122 4.630 2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.645 2.431 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.151 2.825 1.763 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.531 3.360 0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.689 1.054 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.457 0.903 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.074 0.673 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.930 2.759 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.294 2.370 -0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.710 4.046 -0.747 1.00 0.00 H new ATOM 715 N LYS A 52 -2.709 5.915 0.455 1.00 0.00 N ATOM 716 CA LYS A 52 -2.665 6.883 -0.684 1.00 0.00 C ATOM 717 C LYS A 52 -2.284 8.188 0.035 1.00 0.00 C ATOM 718 O LYS A 52 -1.291 8.791 -0.304 1.00 0.00 O ATOM 719 CB LYS A 52 -4.091 6.905 -1.333 1.00 0.00 C ATOM 720 CG LYS A 52 -4.127 7.557 -2.733 1.00 0.00 C ATOM 721 CD LYS A 52 -5.484 7.172 -3.463 1.00 0.00 C ATOM 722 CE LYS A 52 -6.777 7.723 -2.774 1.00 0.00 C ATOM 723 NZ LYS A 52 -7.945 6.829 -3.119 1.00 0.00 N ATOM 0 H LYS A 52 -3.637 5.529 0.628 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.974 6.668 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.462 5.883 -1.409 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.772 7.443 -0.674 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.045 8.640 -2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.276 7.220 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.448 7.544 -4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.554 6.086 -3.521 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.639 7.761 -1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.974 8.742 -3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.510 6.651 -2.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.538 7.294 -3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.592 5.926 -3.495 1.00 0.00 H new ATOM 737 N GLY A 53 -3.090 8.566 1.008 1.00 0.00 N ATOM 738 CA GLY A 53 -2.866 9.810 1.831 1.00 0.00 C ATOM 739 C GLY A 53 -1.374 9.990 2.061 1.00 0.00 C ATOM 740 O GLY A 53 -0.814 11.009 1.714 1.00 0.00 O ATOM 0 H GLY A 53 -3.925 8.044 1.275 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.275 10.680 1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.387 9.729 2.785 1.00 0.00 H new ATOM 744 N ILE A 54 -0.778 8.988 2.642 1.00 0.00 N ATOM 745 CA ILE A 54 0.695 9.073 2.897 1.00 0.00 C ATOM 746 C ILE A 54 1.403 9.190 1.536 1.00 0.00 C ATOM 747 O ILE A 54 2.164 10.117 1.422 1.00 0.00 O ATOM 748 CB ILE A 54 1.245 7.798 3.693 1.00 0.00 C ATOM 749 CG1 ILE A 54 0.112 6.832 4.021 1.00 0.00 C ATOM 750 CG2 ILE A 54 1.781 8.357 5.030 1.00 0.00 C ATOM 751 CD1 ILE A 54 0.566 5.484 4.621 1.00 0.00 C ATOM 0 H ILE A 54 -1.232 8.127 2.948 1.00 0.00 H new ATOM 0 HA ILE A 54 0.897 9.943 3.521 1.00 0.00 H new ATOM 0 HB ILE A 54 1.993 7.268 3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.568 7.316 4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.455 6.636 3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.176 7.540 5.634 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.574 9.078 4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.971 8.848 5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.307 4.863 4.822 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.220 4.973 3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.106 5.663 5.551 1.00 0.00 H new ATOM 763 N ALA A 55 1.195 8.329 0.551 1.00 0.00 N ATOM 764 CA ALA A 55 1.862 8.418 -0.788 1.00 0.00 C ATOM 765 C ALA A 55 1.889 9.872 -1.285 1.00 0.00 C ATOM 766 O ALA A 55 2.850 10.360 -1.856 1.00 0.00 O ATOM 767 CB ALA A 55 1.073 7.426 -1.648 1.00 0.00 C ATOM 0 H ALA A 55 0.559 7.536 0.635 1.00 0.00 H new ATOM 0 HA ALA A 55 2.919 8.150 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.483 7.413 -2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.147 6.429 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.027 7.729 -1.685 1.00 0.00 H new ATOM 773 N ARG A 56 0.787 10.507 -1.021 1.00 0.00 N ATOM 774 CA ARG A 56 0.600 11.935 -1.400 1.00 0.00 C ATOM 775 C ARG A 56 1.447 12.775 -0.436 1.00 0.00 C ATOM 776 O ARG A 56 2.169 13.659 -0.840 1.00 0.00 O ATOM 777 CB ARG A 56 -0.860 12.342 -1.237 1.00 0.00 C ATOM 778 CG ARG A 56 -1.794 11.320 -1.873 1.00 0.00 C ATOM 779 CD ARG A 56 -3.063 12.059 -2.369 1.00 0.00 C ATOM 780 NE ARG A 56 -3.836 12.451 -1.128 1.00 0.00 N ATOM 781 CZ ARG A 56 -4.062 13.668 -0.805 1.00 0.00 C ATOM 782 NH1 ARG A 56 -3.134 14.219 -0.137 1.00 0.00 N ATOM 783 NH2 ARG A 56 -5.152 14.232 -1.151 1.00 0.00 N ATOM 0 H ARG A 56 -0.013 10.088 -0.547 1.00 0.00 H new ATOM 0 HA ARG A 56 0.894 12.086 -2.439 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.095 12.443 -0.178 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.021 13.318 -1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.298 10.819 -2.704 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.062 10.550 -1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.797 12.938 -2.956 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.662 11.415 -3.013 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.193 11.712 -0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.293 13.692 0.099 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.229 15.189 0.164 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.847 13.713 -1.687 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.329 15.203 -0.892 1.00 0.00 H new ATOM 797 N GLY A 57 1.345 12.473 0.828 1.00 0.00 N ATOM 798 CA GLY A 57 2.114 13.217 1.873 1.00 0.00 C ATOM 799 C GLY A 57 3.550 12.734 2.048 1.00 0.00 C ATOM 800 O GLY A 57 4.033 12.628 3.155 1.00 0.00 O ATOM 0 H GLY A 57 0.750 11.728 1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.127 14.276 1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.593 13.127 2.826 1.00 0.00 H new ATOM 804 N ILE A 58 4.190 12.453 0.944 1.00 0.00 N ATOM 805 CA ILE A 58 5.628 11.983 0.949 1.00 0.00 C ATOM 806 C ILE A 58 6.377 13.033 0.098 1.00 0.00 C ATOM 807 O ILE A 58 5.875 14.116 -0.124 1.00 0.00 O ATOM 808 CB ILE A 58 5.836 10.558 0.275 1.00 0.00 C ATOM 809 CG1 ILE A 58 4.709 9.665 0.727 1.00 0.00 C ATOM 810 CG2 ILE A 58 7.098 9.907 0.848 1.00 0.00 C ATOM 811 CD1 ILE A 58 4.825 8.143 0.431 1.00 0.00 C ATOM 0 H ILE A 58 3.777 12.528 0.014 1.00 0.00 H new ATOM 0 HA ILE A 58 5.980 11.884 1.976 1.00 0.00 H new ATOM 0 HB ILE A 58 5.890 10.678 -0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.595 9.789 1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.790 10.027 0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.244 8.930 0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.961 10.539 0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.989 9.788 1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.943 7.630 0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.898 7.986 -0.645 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.716 7.745 0.917 1.00 0.00 H new ATOM 823 N HIS A 59 7.551 12.704 -0.357 1.00 0.00 N ATOM 824 CA HIS A 59 8.348 13.648 -1.187 1.00 0.00 C ATOM 825 C HIS A 59 8.139 13.303 -2.681 1.00 0.00 C ATOM 826 O HIS A 59 7.306 13.908 -3.329 1.00 0.00 O ATOM 827 CB HIS A 59 9.794 13.473 -0.688 1.00 0.00 C ATOM 828 CG HIS A 59 10.693 14.556 -1.263 1.00 0.00 C ATOM 829 ND1 HIS A 59 10.558 15.812 -1.018 1.00 0.00 N ATOM 830 CD2 HIS A 59 11.779 14.485 -2.112 1.00 0.00 C ATOM 831 CE1 HIS A 59 11.471 16.482 -1.651 1.00 0.00 C ATOM 832 NE2 HIS A 59 12.252 15.693 -2.345 1.00 0.00 N ATOM 0 H HIS A 59 8.001 11.805 -0.186 1.00 0.00 H new ATOM 0 HA HIS A 59 8.058 14.695 -1.097 1.00 0.00 H new ATOM 0 HB2 HIS A 59 9.816 13.515 0.401 1.00 0.00 H new ATOM 0 HB3 HIS A 59 10.168 12.491 -0.977 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.182 13.572 -2.525 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.574 17.556 -1.611 1.00 0.00 H new ATOM 0 HE2 HIS A 59 13.045 15.953 -2.932 1.00 0.00 H new ATOM 840 N ASN A 60 8.867 12.348 -3.197 1.00 0.00 N ATOM 841 CA ASN A 60 8.693 11.983 -4.637 1.00 0.00 C ATOM 842 C ASN A 60 8.522 10.465 -4.799 1.00 0.00 C ATOM 843 O ASN A 60 9.394 9.823 -5.345 1.00 0.00 O ATOM 844 CB ASN A 60 9.946 12.536 -5.397 1.00 0.00 C ATOM 845 CG ASN A 60 9.783 12.471 -6.918 1.00 0.00 C ATOM 846 OD1 ASN A 60 10.319 13.283 -7.638 1.00 0.00 O ATOM 847 ND2 ASN A 60 9.081 11.560 -7.519 1.00 0.00 N ATOM 0 H ASN A 60 9.569 11.808 -2.691 1.00 0.00 H new ATOM 0 HA ASN A 60 7.788 12.423 -5.055 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.122 13.569 -5.097 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.827 11.964 -5.104 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.009 11.560 -8.536 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.602 10.843 -6.974 1.00 0.00 H new ATOM 854 N LEU A 61 7.414 9.948 -4.306 1.00 0.00 N ATOM 855 CA LEU A 61 7.108 8.474 -4.403 1.00 0.00 C ATOM 856 C LEU A 61 7.683 7.936 -5.722 1.00 0.00 C ATOM 857 O LEU A 61 7.427 8.474 -6.785 1.00 0.00 O ATOM 858 CB LEU A 61 5.542 8.355 -4.273 1.00 0.00 C ATOM 859 CG LEU A 61 4.848 7.078 -4.853 1.00 0.00 C ATOM 860 CD1 LEU A 61 4.537 7.295 -6.323 1.00 0.00 C ATOM 861 CD2 LEU A 61 5.602 5.749 -4.674 1.00 0.00 C ATOM 0 H LEU A 61 6.695 10.495 -3.832 1.00 0.00 H new ATOM 0 HA LEU A 61 7.566 7.868 -3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.290 8.420 -3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.100 9.224 -4.760 1.00 0.00 H new ATOM 0 HG LEU A 61 3.944 6.960 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.054 6.406 -6.728 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.871 8.151 -6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.463 7.484 -6.867 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.022 4.939 -5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.572 5.812 -5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.747 5.553 -3.612 1.00 0.00 H new ATOM 873 N ASN A 62 8.463 6.902 -5.633 1.00 0.00 N ATOM 874 CA ASN A 62 9.068 6.311 -6.840 1.00 0.00 C ATOM 875 C ASN A 62 8.286 5.069 -7.260 1.00 0.00 C ATOM 876 O ASN A 62 8.559 3.993 -6.762 1.00 0.00 O ATOM 877 CB ASN A 62 10.523 5.980 -6.493 1.00 0.00 C ATOM 878 CG ASN A 62 11.172 5.517 -7.772 1.00 0.00 C ATOM 879 OD1 ASN A 62 11.991 6.173 -8.366 1.00 0.00 O ATOM 880 ND2 ASN A 62 10.834 4.381 -8.269 1.00 0.00 N ATOM 0 H ASN A 62 8.708 6.437 -4.759 1.00 0.00 H new ATOM 0 HA ASN A 62 9.038 7.000 -7.684 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.035 6.855 -6.092 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.573 5.204 -5.729 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.256 4.060 -9.140 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.144 3.801 -7.792 1.00 0.00 H new ATOM 887 N LEU A 63 7.345 5.288 -8.145 1.00 0.00 N ATOM 888 CA LEU A 63 6.452 4.221 -8.712 1.00 0.00 C ATOM 889 C LEU A 63 6.950 2.782 -8.554 1.00 0.00 C ATOM 890 O LEU A 63 6.206 1.935 -8.093 1.00 0.00 O ATOM 891 CB LEU A 63 6.217 4.562 -10.212 1.00 0.00 C ATOM 892 CG LEU A 63 7.550 4.720 -11.009 1.00 0.00 C ATOM 893 CD1 LEU A 63 7.701 3.555 -12.014 1.00 0.00 C ATOM 894 CD2 LEU A 63 7.510 6.025 -11.789 1.00 0.00 C ATOM 0 H LEU A 63 7.148 6.216 -8.519 1.00 0.00 H new ATOM 0 HA LEU A 63 5.529 4.234 -8.132 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.616 3.776 -10.669 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.643 5.486 -10.285 1.00 0.00 H new ATOM 0 HG LEU A 63 8.387 4.716 -10.311 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.633 3.670 -12.567 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.714 2.608 -11.474 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.862 3.564 -12.710 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.438 6.143 -12.349 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.668 6.009 -12.481 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.395 6.859 -11.097 1.00 0.00 H new ATOM 906 N ASN A 64 8.182 2.564 -8.956 1.00 0.00 N ATOM 907 CA ASN A 64 8.815 1.207 -8.856 1.00 0.00 C ATOM 908 C ASN A 64 8.548 0.613 -7.476 1.00 0.00 C ATOM 909 O ASN A 64 7.792 -0.325 -7.367 1.00 0.00 O ATOM 910 CB ASN A 64 10.356 1.331 -9.090 1.00 0.00 C ATOM 911 CG ASN A 64 11.114 0.076 -8.654 1.00 0.00 C ATOM 912 OD1 ASN A 64 11.023 -0.970 -9.250 1.00 0.00 O ATOM 913 ND2 ASN A 64 11.867 0.139 -7.602 1.00 0.00 N ATOM 0 H ASN A 64 8.786 3.282 -9.356 1.00 0.00 H new ATOM 0 HA ASN A 64 8.386 0.552 -9.614 1.00 0.00 H new ATOM 0 HB2 ASN A 64 10.546 1.519 -10.147 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.736 2.192 -8.540 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.374 -0.688 -7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.953 1.016 -7.088 1.00 0.00 H new ATOM 920 N ASN A 65 9.168 1.196 -6.484 1.00 0.00 N ATOM 921 CA ASN A 65 9.043 0.758 -5.056 1.00 0.00 C ATOM 922 C ASN A 65 7.613 0.299 -4.791 1.00 0.00 C ATOM 923 O ASN A 65 7.338 -0.798 -4.346 1.00 0.00 O ATOM 924 CB ASN A 65 9.427 1.958 -4.232 1.00 0.00 C ATOM 925 CG ASN A 65 10.814 2.478 -4.609 1.00 0.00 C ATOM 926 OD1 ASN A 65 11.262 2.391 -5.734 1.00 0.00 O ATOM 927 ND2 ASN A 65 11.552 3.043 -3.720 1.00 0.00 N ATOM 0 H ASN A 65 9.786 1.997 -6.611 1.00 0.00 H new ATOM 0 HA ASN A 65 9.685 -0.087 -4.808 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.690 2.749 -4.374 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.412 1.694 -3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.475 3.397 -3.973 1.00 0.00 H new ATOM 0 HD22 ASN A 65 11.215 3.137 -2.762 1.00 0.00 H new ATOM 934 N ALA A 66 6.725 1.190 -5.119 1.00 0.00 N ATOM 935 CA ALA A 66 5.283 0.886 -4.910 1.00 0.00 C ATOM 936 C ALA A 66 4.734 -0.322 -5.708 1.00 0.00 C ATOM 937 O ALA A 66 4.282 -1.290 -5.119 1.00 0.00 O ATOM 938 CB ALA A 66 4.546 2.178 -5.239 1.00 0.00 C ATOM 0 H ALA A 66 6.929 2.106 -5.518 1.00 0.00 H new ATOM 0 HA ALA A 66 5.129 0.564 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.474 2.029 -5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.887 2.971 -4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.749 2.459 -6.272 1.00 0.00 H new ATOM 944 N ALA A 67 4.785 -0.249 -7.013 1.00 0.00 N ATOM 945 CA ALA A 67 4.275 -1.383 -7.873 1.00 0.00 C ATOM 946 C ALA A 67 4.935 -2.725 -7.479 1.00 0.00 C ATOM 947 O ALA A 67 4.364 -3.805 -7.425 1.00 0.00 O ATOM 948 CB ALA A 67 4.601 -1.042 -9.326 1.00 0.00 C ATOM 0 H ALA A 67 5.158 0.547 -7.531 1.00 0.00 H new ATOM 0 HA ALA A 67 3.200 -1.499 -7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.246 -1.842 -9.976 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.111 -0.108 -9.599 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.679 -0.933 -9.441 1.00 0.00 H new ATOM 954 N SER A 68 6.197 -2.519 -7.212 1.00 0.00 N ATOM 955 CA SER A 68 7.161 -3.557 -6.807 1.00 0.00 C ATOM 956 C SER A 68 6.590 -4.309 -5.660 1.00 0.00 C ATOM 957 O SER A 68 6.540 -5.525 -5.736 1.00 0.00 O ATOM 958 CB SER A 68 8.484 -2.862 -6.437 1.00 0.00 C ATOM 959 OG SER A 68 9.138 -3.712 -5.508 1.00 0.00 O ATOM 0 H SER A 68 6.618 -1.592 -7.267 1.00 0.00 H new ATOM 0 HA SER A 68 7.357 -4.266 -7.612 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.101 -2.706 -7.322 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.298 -1.880 -6.001 1.00 0.00 H new ATOM 0 HG SER A 68 9.359 -3.204 -4.700 1.00 0.00 H new ATOM 965 N ILE A 69 6.174 -3.579 -4.649 1.00 0.00 N ATOM 966 CA ILE A 69 5.610 -4.328 -3.505 1.00 0.00 C ATOM 967 C ILE A 69 4.633 -5.448 -3.935 1.00 0.00 C ATOM 968 O ILE A 69 5.075 -6.574 -3.834 1.00 0.00 O ATOM 969 CB ILE A 69 4.955 -3.298 -2.518 1.00 0.00 C ATOM 970 CG1 ILE A 69 6.047 -2.389 -1.896 1.00 0.00 C ATOM 971 CG2 ILE A 69 4.251 -3.989 -1.347 1.00 0.00 C ATOM 972 CD1 ILE A 69 7.046 -3.182 -0.943 1.00 0.00 C ATOM 0 H ILE A 69 6.200 -2.562 -4.574 1.00 0.00 H new ATOM 0 HA ILE A 69 6.415 -4.857 -2.995 1.00 0.00 H new ATOM 0 HB ILE A 69 4.233 -2.729 -3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.616 -1.914 -2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.568 -1.591 -1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.813 -3.237 -0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.465 -4.640 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.974 -4.583 -0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.787 -2.493 -0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.486 -3.634 -0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.550 -3.963 -1.513 1.00 0.00 H new ATOM 984 N PRO A 70 3.412 -5.292 -4.407 1.00 0.00 N ATOM 985 CA PRO A 70 2.648 -6.491 -4.873 1.00 0.00 C ATOM 986 C PRO A 70 3.466 -7.411 -5.814 1.00 0.00 C ATOM 987 O PRO A 70 3.510 -8.609 -5.580 1.00 0.00 O ATOM 988 CB PRO A 70 1.377 -5.896 -5.518 1.00 0.00 C ATOM 989 CG PRO A 70 1.753 -4.422 -5.777 1.00 0.00 C ATOM 990 CD PRO A 70 2.650 -4.043 -4.585 1.00 0.00 C ATOM 0 HA PRO A 70 2.401 -7.170 -4.056 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.119 -6.412 -6.443 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.515 -5.979 -4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.280 -4.307 -6.724 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.867 -3.788 -5.826 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.295 -3.193 -4.807 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.072 -3.782 -3.699 1.00 0.00 H new ATOM 998 N SER A 71 4.071 -6.816 -6.819 1.00 0.00 N ATOM 999 CA SER A 71 4.905 -7.557 -7.834 1.00 0.00 C ATOM 1000 C SER A 71 5.837 -8.666 -7.274 1.00 0.00 C ATOM 1001 O SER A 71 5.886 -9.771 -7.788 1.00 0.00 O ATOM 1002 CB SER A 71 5.708 -6.462 -8.587 1.00 0.00 C ATOM 1003 OG SER A 71 6.308 -7.056 -9.737 1.00 0.00 O ATOM 0 H SER A 71 4.020 -5.811 -6.985 1.00 0.00 H new ATOM 0 HA SER A 71 4.239 -8.127 -8.482 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.050 -5.644 -8.882 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.473 -6.037 -7.937 1.00 0.00 H new ATOM 0 HG SER A 71 6.819 -6.378 -10.227 1.00 0.00 H new ATOM 1009 N LYS A 72 6.570 -8.284 -6.256 1.00 0.00 N ATOM 1010 CA LYS A 72 7.557 -9.158 -5.513 1.00 0.00 C ATOM 1011 C LYS A 72 7.012 -9.757 -4.210 1.00 0.00 C ATOM 1012 O LYS A 72 7.369 -10.848 -3.810 1.00 0.00 O ATOM 1013 CB LYS A 72 8.817 -8.255 -5.319 1.00 0.00 C ATOM 1014 CG LYS A 72 9.772 -8.231 -6.591 1.00 0.00 C ATOM 1015 CD LYS A 72 9.029 -8.042 -7.975 1.00 0.00 C ATOM 1016 CE LYS A 72 8.661 -9.432 -8.537 1.00 0.00 C ATOM 1017 NZ LYS A 72 7.730 -9.356 -9.703 1.00 0.00 N ATOM 0 H LYS A 72 6.524 -7.337 -5.881 1.00 0.00 H new ATOM 0 HA LYS A 72 7.793 -10.058 -6.081 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.496 -7.238 -5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.381 -8.609 -4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.495 -7.424 -6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.336 -9.163 -6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.131 -7.439 -7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.670 -7.509 -8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.572 -9.950 -8.838 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.201 -10.028 -7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.858 -9.879 -9.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.498 -8.361 -9.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.186 -9.775 -10.539 1.00 0.00 H new ATOM 1031 N CYS A 73 6.152 -9.030 -3.579 1.00 0.00 N ATOM 1032 CA CYS A 73 5.538 -9.510 -2.288 1.00 0.00 C ATOM 1033 C CYS A 73 4.620 -10.710 -2.569 1.00 0.00 C ATOM 1034 O CYS A 73 4.430 -11.561 -1.719 1.00 0.00 O ATOM 1035 CB CYS A 73 4.742 -8.347 -1.648 1.00 0.00 C ATOM 1036 SG CYS A 73 5.773 -6.944 -1.146 1.00 0.00 S ATOM 0 H CYS A 73 5.833 -8.112 -3.890 1.00 0.00 H new ATOM 0 HA CYS A 73 6.317 -9.829 -1.596 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.992 -7.999 -2.358 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.206 -8.722 -0.776 1.00 0.00 H new ATOM 1041 N ASN A 74 4.097 -10.682 -3.775 1.00 0.00 N ATOM 1042 CA ASN A 74 3.169 -11.696 -4.377 1.00 0.00 C ATOM 1043 C ASN A 74 1.749 -11.646 -3.792 1.00 0.00 C ATOM 1044 O ASN A 74 1.203 -12.614 -3.281 1.00 0.00 O ATOM 1045 CB ASN A 74 3.883 -13.075 -4.200 1.00 0.00 C ATOM 1046 CG ASN A 74 4.940 -13.154 -5.285 1.00 0.00 C ATOM 1047 OD1 ASN A 74 4.665 -13.524 -6.402 1.00 0.00 O ATOM 1048 ND2 ASN A 74 6.163 -12.816 -5.058 1.00 0.00 N ATOM 0 H ASN A 74 4.301 -9.921 -4.422 1.00 0.00 H new ATOM 0 HA ASN A 74 2.991 -11.491 -5.433 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.335 -13.154 -3.211 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.171 -13.895 -4.291 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.854 -12.867 -5.807 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.440 -12.497 -4.129 1.00 0.00 H new ATOM 1055 N VAL A 75 1.227 -10.452 -3.920 1.00 0.00 N ATOM 1056 CA VAL A 75 -0.163 -10.138 -3.426 1.00 0.00 C ATOM 1057 C VAL A 75 -1.193 -9.861 -4.564 1.00 0.00 C ATOM 1058 O VAL A 75 -2.098 -9.068 -4.422 1.00 0.00 O ATOM 1059 CB VAL A 75 -0.060 -8.900 -2.482 1.00 0.00 C ATOM 1060 CG1 VAL A 75 -1.124 -8.965 -1.406 1.00 0.00 C ATOM 1061 CG2 VAL A 75 1.299 -8.794 -1.809 1.00 0.00 C ATOM 0 H VAL A 75 1.708 -9.664 -4.352 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.540 -11.018 -2.905 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.204 -8.021 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.038 -8.094 -0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.110 -8.976 -1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.990 -9.872 -0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.318 -7.916 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.480 -9.688 -1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.075 -8.702 -2.569 1.00 0.00 H new ATOM 1071 N ASN A 76 -1.002 -10.554 -5.656 1.00 0.00 N ATOM 1072 CA ASN A 76 -1.869 -10.473 -6.905 1.00 0.00 C ATOM 1073 C ASN A 76 -3.007 -9.402 -6.907 1.00 0.00 C ATOM 1074 O ASN A 76 -4.163 -9.763 -6.799 1.00 0.00 O ATOM 1075 CB ASN A 76 -2.437 -11.920 -7.095 1.00 0.00 C ATOM 1076 CG ASN A 76 -3.051 -12.443 -5.787 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -3.091 -13.624 -5.531 1.00 0.00 O ATOM 1078 ND2 ASN A 76 -3.552 -11.635 -4.907 1.00 0.00 N ATOM 0 H ASN A 76 -0.234 -11.219 -5.750 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.250 -10.127 -7.733 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.192 -11.918 -7.881 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -1.640 -12.588 -7.420 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -3.955 -12.005 -4.046 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.543 -10.629 -5.075 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.682 -8.138 -7.020 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.777 -7.099 -7.008 1.00 0.00 C ATOM 1087 C VAL A 77 -3.640 -5.823 -7.912 1.00 0.00 C ATOM 1088 O VAL A 77 -2.541 -5.466 -8.276 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.896 -6.759 -5.527 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -2.647 -5.988 -5.038 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -5.153 -6.008 -5.226 1.00 0.00 C ATOM 0 H VAL A 77 -1.732 -7.779 -7.118 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.666 -7.520 -7.477 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.950 -7.699 -4.978 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.754 -5.756 -3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.759 -6.602 -5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.547 -5.062 -5.604 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.198 -5.786 -4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.164 -5.076 -5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.015 -6.614 -5.507 1.00 0.00 H new ATOM 1101 N PRO A 78 -4.740 -5.171 -8.251 1.00 0.00 N ATOM 1102 CA PRO A 78 -4.762 -3.739 -8.715 1.00 0.00 C ATOM 1103 C PRO A 78 -4.033 -2.616 -7.917 1.00 0.00 C ATOM 1104 O PRO A 78 -3.436 -1.752 -8.528 1.00 0.00 O ATOM 1105 CB PRO A 78 -6.269 -3.467 -8.881 1.00 0.00 C ATOM 1106 CG PRO A 78 -6.803 -4.855 -9.292 1.00 0.00 C ATOM 1107 CD PRO A 78 -6.119 -5.755 -8.268 1.00 0.00 C ATOM 0 HA PRO A 78 -4.140 -3.671 -9.608 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.724 -3.113 -7.956 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.466 -2.712 -9.643 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.890 -4.912 -9.229 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.529 -5.114 -10.315 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.599 -5.707 -7.291 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.120 -6.802 -8.573 1.00 0.00 H new ATOM 1115 N TYR A 79 -4.066 -2.588 -6.607 1.00 0.00 N ATOM 1116 CA TYR A 79 -3.346 -1.479 -5.879 1.00 0.00 C ATOM 1117 C TYR A 79 -1.923 -1.840 -5.365 1.00 0.00 C ATOM 1118 O TYR A 79 -1.563 -2.968 -5.087 1.00 0.00 O ATOM 1119 CB TYR A 79 -4.224 -1.006 -4.684 1.00 0.00 C ATOM 1120 CG TYR A 79 -4.727 -2.188 -3.890 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -3.903 -2.853 -3.021 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -6.025 -2.608 -4.064 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -4.395 -3.945 -2.344 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -6.506 -3.696 -3.378 1.00 0.00 C ATOM 1125 CZ TYR A 79 -5.685 -4.369 -2.517 1.00 0.00 C ATOM 1126 OH TYR A 79 -6.141 -5.472 -1.841 1.00 0.00 O ATOM 0 H TYR A 79 -4.547 -3.265 -6.015 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.195 -0.688 -6.614 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.643 -0.348 -4.038 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.068 -0.425 -5.054 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.885 -2.526 -2.870 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.672 -2.077 -4.747 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -3.750 -4.479 -1.662 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.527 -4.018 -3.518 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.575 -6.085 -2.470 1.00 0.00 H new ATOM 1136 N THR A 80 -1.137 -0.801 -5.271 1.00 0.00 N ATOM 1137 CA THR A 80 0.293 -0.856 -4.797 1.00 0.00 C ATOM 1138 C THR A 80 0.576 0.521 -4.171 1.00 0.00 C ATOM 1139 O THR A 80 0.267 1.497 -4.826 1.00 0.00 O ATOM 1140 CB THR A 80 1.281 -1.114 -6.013 1.00 0.00 C ATOM 1141 OG1 THR A 80 1.770 0.118 -6.534 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.553 -1.625 -7.275 1.00 0.00 C ATOM 0 H THR A 80 -1.441 0.141 -5.517 1.00 0.00 H new ATOM 0 HA THR A 80 0.443 -1.668 -4.086 1.00 0.00 H new ATOM 0 HB THR A 80 2.021 -1.801 -5.602 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.656 0.130 -7.507 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.278 -1.784 -8.074 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.050 -2.565 -7.049 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.183 -0.887 -7.594 1.00 0.00 H new ATOM 1150 N ILE A 81 1.102 0.611 -2.979 1.00 0.00 N ATOM 1151 CA ILE A 81 1.390 1.976 -2.362 1.00 0.00 C ATOM 1152 C ILE A 81 1.694 3.262 -3.244 1.00 0.00 C ATOM 1153 O ILE A 81 2.815 3.682 -3.467 1.00 0.00 O ATOM 1154 CB ILE A 81 2.533 1.710 -1.341 1.00 0.00 C ATOM 1155 CG1 ILE A 81 3.098 2.978 -0.641 1.00 0.00 C ATOM 1156 CG2 ILE A 81 3.677 1.031 -2.060 1.00 0.00 C ATOM 1157 CD1 ILE A 81 2.007 3.695 0.167 1.00 0.00 C ATOM 0 H ILE A 81 1.350 -0.187 -2.394 1.00 0.00 H new ATOM 0 HA ILE A 81 0.430 2.310 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 81 2.091 1.093 -0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.919 2.698 0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.508 3.658 -1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.486 0.838 -1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.332 0.088 -2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.039 1.677 -2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.430 4.578 0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.199 3.996 -0.500 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.616 3.021 0.929 1.00 0.00 H new ATOM 1169 N SER A 82 0.631 3.845 -3.736 1.00 0.00 N ATOM 1170 CA SER A 82 0.688 5.100 -4.590 1.00 0.00 C ATOM 1171 C SER A 82 -0.243 6.238 -4.126 1.00 0.00 C ATOM 1172 O SER A 82 -1.234 5.982 -3.471 1.00 0.00 O ATOM 1173 CB SER A 82 0.319 4.784 -6.046 1.00 0.00 C ATOM 1174 OG SER A 82 1.467 5.209 -6.778 1.00 0.00 O ATOM 0 H SER A 82 -0.316 3.498 -3.582 1.00 0.00 H new ATOM 0 HA SER A 82 1.718 5.443 -4.490 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.122 3.722 -6.189 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.578 5.319 -6.358 1.00 0.00 H new ATOM 0 HG SER A 82 1.325 5.044 -7.734 1.00 0.00 H new ATOM 1180 N PRO A 83 0.072 7.478 -4.461 1.00 0.00 N ATOM 1181 CA PRO A 83 -0.925 8.585 -4.536 1.00 0.00 C ATOM 1182 C PRO A 83 -2.092 8.366 -5.537 1.00 0.00 C ATOM 1183 O PRO A 83 -3.202 8.744 -5.216 1.00 0.00 O ATOM 1184 CB PRO A 83 -0.043 9.840 -4.846 1.00 0.00 C ATOM 1185 CG PRO A 83 1.141 9.236 -5.631 1.00 0.00 C ATOM 1186 CD PRO A 83 1.438 7.985 -4.804 1.00 0.00 C ATOM 0 HA PRO A 83 -1.488 8.680 -3.608 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -0.584 10.580 -5.435 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.287 10.338 -3.934 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.873 8.995 -6.660 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.994 9.913 -5.674 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.010 7.252 -5.372 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.018 8.219 -3.911 1.00 0.00 H new ATOM 1194 N ASP A 84 -1.871 7.789 -6.694 1.00 0.00 N ATOM 1195 CA ASP A 84 -3.015 7.583 -7.662 1.00 0.00 C ATOM 1196 C ASP A 84 -3.478 6.099 -7.908 1.00 0.00 C ATOM 1197 O ASP A 84 -3.165 5.446 -8.884 1.00 0.00 O ATOM 1198 CB ASP A 84 -2.572 8.264 -8.979 1.00 0.00 C ATOM 1199 CG ASP A 84 -3.751 8.385 -9.961 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -4.882 8.132 -9.569 1.00 0.00 O ATOM 1201 OD2 ASP A 84 -3.437 8.744 -11.080 1.00 0.00 O ATOM 0 H ASP A 84 -0.963 7.453 -7.015 1.00 0.00 H new ATOM 0 HA ASP A 84 -3.911 8.022 -7.222 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -2.171 9.254 -8.763 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -1.769 7.688 -9.438 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.223 5.596 -6.960 1.00 0.00 N ATOM 1207 CA ILE A 85 -4.775 4.180 -7.010 1.00 0.00 C ATOM 1208 C ILE A 85 -6.250 4.056 -7.480 1.00 0.00 C ATOM 1209 O ILE A 85 -6.976 5.021 -7.613 1.00 0.00 O ATOM 1210 CB ILE A 85 -4.612 3.604 -5.595 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -3.141 3.581 -5.211 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -5.155 2.158 -5.447 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -3.075 3.780 -3.691 1.00 0.00 C ATOM 0 H ILE A 85 -4.488 6.113 -6.121 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.217 3.627 -7.766 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.194 4.255 -4.943 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.682 2.635 -5.497 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.594 4.370 -5.728 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.006 1.817 -4.423 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.219 2.143 -5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.622 1.497 -6.131 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.034 3.771 -3.368 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.528 4.736 -3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.616 2.975 -3.195 1.00 0.00 H new ATOM 1225 N ASP A 86 -6.696 2.842 -7.696 1.00 0.00 N ATOM 1226 CA ASP A 86 -8.109 2.622 -8.146 1.00 0.00 C ATOM 1227 C ASP A 86 -8.981 2.407 -6.880 1.00 0.00 C ATOM 1228 O ASP A 86 -10.029 1.783 -6.905 1.00 0.00 O ATOM 1229 CB ASP A 86 -8.063 1.393 -9.099 1.00 0.00 C ATOM 1230 CG ASP A 86 -9.419 1.006 -9.685 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -9.766 1.565 -10.713 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -10.047 0.151 -9.078 1.00 0.00 O ATOM 0 H ASP A 86 -6.143 1.993 -7.580 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.549 3.460 -8.686 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.374 1.606 -9.916 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.658 0.540 -8.555 1.00 0.00 H new ATOM 1237 N CYS A 87 -8.497 2.974 -5.790 1.00 0.00 N ATOM 1238 CA CYS A 87 -9.192 2.894 -4.454 1.00 0.00 C ATOM 1239 C CYS A 87 -10.718 2.978 -4.595 1.00 0.00 C ATOM 1240 O CYS A 87 -11.465 2.471 -3.787 1.00 0.00 O ATOM 1241 CB CYS A 87 -8.720 4.031 -3.555 1.00 0.00 C ATOM 1242 SG CYS A 87 -6.951 4.203 -3.231 1.00 0.00 S ATOM 0 H CYS A 87 -7.625 3.503 -5.772 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.939 1.929 -4.015 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.068 4.966 -3.994 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -9.223 3.923 -2.594 1.00 0.00 H new ATOM 1247 N SER A 88 -11.065 3.669 -5.640 1.00 0.00 N ATOM 1248 CA SER A 88 -12.447 3.954 -6.102 1.00 0.00 C ATOM 1249 C SER A 88 -13.430 2.784 -6.028 1.00 0.00 C ATOM 1250 O SER A 88 -14.394 2.789 -5.294 1.00 0.00 O ATOM 1251 CB SER A 88 -12.364 4.426 -7.556 1.00 0.00 C ATOM 1252 OG SER A 88 -11.441 5.509 -7.517 1.00 0.00 O ATOM 0 H SER A 88 -10.365 4.089 -6.252 1.00 0.00 H new ATOM 0 HA SER A 88 -12.844 4.705 -5.419 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.017 3.630 -8.214 1.00 0.00 H new ATOM 0 HB3 SER A 88 -13.338 4.745 -7.928 1.00 0.00 H new ATOM 0 HG SER A 88 -11.326 5.874 -8.419 1.00 0.00 H new ATOM 1258 N ARG A 89 -13.109 1.806 -6.825 1.00 0.00 N ATOM 1259 CA ARG A 89 -13.932 0.566 -6.945 1.00 0.00 C ATOM 1260 C ARG A 89 -13.199 -0.721 -6.557 1.00 0.00 C ATOM 1261 O ARG A 89 -13.759 -1.611 -5.937 1.00 0.00 O ATOM 1262 CB ARG A 89 -14.424 0.522 -8.424 1.00 0.00 C ATOM 1263 CG ARG A 89 -13.193 0.550 -9.412 1.00 0.00 C ATOM 1264 CD ARG A 89 -13.253 -0.652 -10.371 1.00 0.00 C ATOM 1265 NE ARG A 89 -11.852 -0.806 -10.893 1.00 0.00 N ATOM 1266 CZ ARG A 89 -11.557 -0.933 -12.127 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -11.806 -2.021 -12.732 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -11.014 0.089 -12.645 1.00 0.00 N ATOM 0 H ARG A 89 -12.281 1.813 -7.420 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.758 0.610 -6.235 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -15.013 -0.380 -8.592 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -15.078 1.371 -8.622 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -13.196 1.479 -9.982 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -12.262 0.526 -8.845 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -13.582 -1.553 -9.854 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -13.959 -0.474 -11.182 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.088 -0.809 -10.217 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.243 -2.795 -12.231 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -11.570 -2.121 -13.719 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.848 0.921 -12.078 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -10.743 0.079 -13.628 1.00 0.00 H new