USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 645 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 77 SER OG : rot 180:sc= 0.0693 USER MOD Set 1.2: A 86 SER OG : rot -93:sc= 0.0639 USER MOD Set 2.1: A 56 GLN : amide:sc= -1.54 X(o=-3.1,f=-3.1) USER MOD Set 2.2: A 61 CYS SG : rot 160:sc= -1.53 USER MOD Set 3.1: A 53 SER OG : rot 121:sc= 1.2 USER MOD Set 3.2: A 66 HIS : no HE2:sc= 0.753 K(o=2,f=-7.8!) USER MOD Set 4.1: A 26 THR OG1 : rot 180:sc= -0.112 USER MOD Set 4.2: A 64 GLN : amide:sc= -3.79! C(o=-3.9!,f=-7.8!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN :FLIP amide:sc= 0.0575 F(o=-1.3!,f=0.058) USER MOD Single : A 20 MET CE :methyl 179:sc= -0.184 (180deg=-0.186) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -1.88 F(o=-5!,f=-1.9) USER MOD Single : A 29 CYS SG : rot 180:sc= -1.18 USER MOD Single : A 32 SER OG : rot 86:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 165:sc= -1.16 (180deg=-2.14) USER MOD Single : A 73 ASN : amide:sc= -2.44! C(o=-2.4!,f=-6.5!) USER MOD Single : A 76 TYR OH : rot -19:sc= 1.18 USER MOD Single : A 78 CYS SG : rot 180:sc= -0.313 USER MOD Single : A 80 CYS SG : rot -8:sc= -0.964 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 85 THR OG1 : rot 150:sc= -0.0429 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 8.031 15.620 -3.485 1.00 0.00 N ATOM 67 CA ALA A 8 7.180 15.488 -2.308 1.00 0.00 C ATOM 68 C ALA A 8 7.812 14.559 -1.277 1.00 0.00 C ATOM 69 O ALA A 8 8.547 13.635 -1.627 1.00 0.00 O ATOM 70 CB ALA A 8 5.803 14.979 -2.707 1.00 0.00 C ATOM 0 HA ALA A 8 7.073 16.473 -1.854 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.178 14.885 -1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.343 15.681 -3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.900 14.005 -3.187 1.00 0.00 H new ATOM 76 N ARG A 9 7.521 14.810 -0.005 1.00 0.00 N ATOM 77 CA ARG A 9 8.062 13.997 1.078 1.00 0.00 C ATOM 78 C ARG A 9 6.945 13.271 1.823 1.00 0.00 C ATOM 79 O ARG A 9 5.935 13.873 2.188 1.00 0.00 O ATOM 80 CB ARG A 9 8.856 14.869 2.052 1.00 0.00 C ATOM 81 CG ARG A 9 7.994 15.838 2.844 1.00 0.00 C ATOM 82 CD ARG A 9 8.828 16.951 3.459 1.00 0.00 C ATOM 83 NE ARG A 9 8.016 17.868 4.253 1.00 0.00 N ATOM 84 CZ ARG A 9 8.521 18.872 4.962 1.00 0.00 C ATOM 85 NH1 ARG A 9 9.829 19.087 4.973 1.00 0.00 N ATOM 86 NH2 ARG A 9 7.717 19.664 5.659 1.00 0.00 N ATOM 0 H ARG A 9 6.914 15.570 0.301 1.00 0.00 H new ATOM 0 HA ARG A 9 8.728 13.253 0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.395 14.225 2.746 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.604 15.433 1.495 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.235 16.269 2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.468 15.299 3.632 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.605 16.517 4.089 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.332 17.506 2.668 1.00 0.00 H new ATOM 0 HE ARG A 9 7.005 17.731 4.264 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.450 18.481 4.437 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.214 19.858 5.518 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.710 19.503 5.651 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.106 20.434 6.203 1.00 0.00 H new ATOM 100 N PHE A 10 7.134 11.974 2.044 1.00 0.00 N ATOM 101 CA PHE A 10 6.143 11.166 2.744 1.00 0.00 C ATOM 102 C PHE A 10 5.872 11.724 4.138 1.00 0.00 C ATOM 103 O PHE A 10 6.685 11.571 5.050 1.00 0.00 O ATOM 104 CB PHE A 10 6.618 9.715 2.847 1.00 0.00 C ATOM 105 CG PHE A 10 6.377 8.915 1.599 1.00 0.00 C ATOM 106 CD1 PHE A 10 5.087 8.623 1.185 1.00 0.00 C ATOM 107 CD2 PHE A 10 7.440 8.456 0.838 1.00 0.00 C ATOM 108 CE1 PHE A 10 4.862 7.887 0.038 1.00 0.00 C ATOM 109 CE2 PHE A 10 7.222 7.720 -0.311 1.00 0.00 C ATOM 110 CZ PHE A 10 5.931 7.436 -0.712 1.00 0.00 C ATOM 0 H PHE A 10 7.964 11.461 1.748 1.00 0.00 H new ATOM 0 HA PHE A 10 5.215 11.198 2.172 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.684 9.705 3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.109 9.233 3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.248 8.975 1.766 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.451 8.676 1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.852 7.664 -0.272 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.060 7.367 -0.895 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.758 6.862 -1.610 1.00 0.00 H new ATOM 120 N THR A 11 4.722 12.373 4.296 1.00 0.00 N ATOM 121 CA THR A 11 4.343 12.956 5.577 1.00 0.00 C ATOM 122 C THR A 11 3.522 11.976 6.406 1.00 0.00 C ATOM 123 O THR A 11 3.664 11.910 7.626 1.00 0.00 O ATOM 124 CB THR A 11 3.535 14.253 5.386 1.00 0.00 C ATOM 125 OG1 THR A 11 2.673 14.463 6.510 1.00 0.00 O ATOM 126 CG2 THR A 11 2.708 14.193 4.111 1.00 0.00 C ATOM 0 H THR A 11 4.037 12.508 3.552 1.00 0.00 H new ATOM 0 HA THR A 11 5.268 13.187 6.105 1.00 0.00 H new ATOM 0 HB THR A 11 4.237 15.083 5.306 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.164 15.290 6.382 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.146 15.120 3.998 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.369 14.062 3.254 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.015 13.353 4.166 1.00 0.00 H new ATOM 134 N GLU A 12 2.662 11.215 5.734 1.00 0.00 N ATOM 135 CA GLU A 12 1.818 10.238 6.411 1.00 0.00 C ATOM 136 C GLU A 12 2.457 8.852 6.380 1.00 0.00 C ATOM 137 O GLU A 12 2.163 8.002 7.219 1.00 0.00 O ATOM 138 CB GLU A 12 0.435 10.188 5.758 1.00 0.00 C ATOM 139 CG GLU A 12 -0.551 11.185 6.343 1.00 0.00 C ATOM 140 CD GLU A 12 -1.994 10.793 6.096 1.00 0.00 C ATOM 141 OE1 GLU A 12 -2.393 9.691 6.529 1.00 0.00 O ATOM 142 OE2 GLU A 12 -2.726 11.588 5.470 1.00 0.00 O ATOM 0 H GLU A 12 2.532 11.257 4.723 1.00 0.00 H new ATOM 0 HA GLU A 12 1.711 10.547 7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.540 10.378 4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.028 9.182 5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.381 11.271 7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.367 12.169 5.911 1.00 0.00 H new ATOM 149 N GLY A 13 3.335 8.633 5.406 1.00 0.00 N ATOM 150 CA GLY A 13 4.001 7.350 5.283 1.00 0.00 C ATOM 151 C GLY A 13 3.027 6.190 5.261 1.00 0.00 C ATOM 152 O GLY A 13 1.829 6.370 5.487 1.00 0.00 O ATOM 0 H GLY A 13 3.597 9.321 4.700 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.595 7.339 4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.694 7.223 6.115 1.00 0.00 H new ATOM 156 N LEU A 14 3.538 4.995 4.987 1.00 0.00 N ATOM 157 CA LEU A 14 2.704 3.799 4.935 1.00 0.00 C ATOM 158 C LEU A 14 2.604 3.144 6.309 1.00 0.00 C ATOM 159 O LEU A 14 3.608 2.972 7.000 1.00 0.00 O ATOM 160 CB LEU A 14 3.269 2.802 3.922 1.00 0.00 C ATOM 161 CG LEU A 14 2.842 3.006 2.468 1.00 0.00 C ATOM 162 CD1 LEU A 14 3.747 2.223 1.530 1.00 0.00 C ATOM 163 CD2 LEU A 14 1.389 2.596 2.277 1.00 0.00 C ATOM 0 H LEU A 14 4.526 4.828 4.797 1.00 0.00 H new ATOM 0 HA LEU A 14 1.704 4.098 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.357 2.844 3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.975 1.798 4.228 1.00 0.00 H new ATOM 0 HG LEU A 14 2.935 4.065 2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.427 2.381 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.775 2.565 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.688 1.161 1.770 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.102 2.748 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.271 1.544 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.752 3.202 2.921 1.00 0.00 H new ATOM 175 N ARG A 15 1.386 2.779 6.698 1.00 0.00 N ATOM 176 CA ARG A 15 1.156 2.142 7.988 1.00 0.00 C ATOM 177 C ARG A 15 1.058 0.627 7.837 1.00 0.00 C ATOM 178 O ARG A 15 0.779 0.119 6.752 1.00 0.00 O ATOM 179 CB ARG A 15 -0.124 2.685 8.628 1.00 0.00 C ATOM 180 CG ARG A 15 -0.703 1.776 9.699 1.00 0.00 C ATOM 181 CD ARG A 15 -1.825 2.460 10.463 1.00 0.00 C ATOM 182 NE ARG A 15 -1.932 1.969 11.835 1.00 0.00 N ATOM 183 CZ ARG A 15 -2.540 2.636 12.809 1.00 0.00 C ATOM 184 NH1 ARG A 15 -3.093 3.816 12.564 1.00 0.00 N ATOM 185 NH2 ARG A 15 -2.596 2.123 14.032 1.00 0.00 N ATOM 0 H ARG A 15 0.544 2.914 6.138 1.00 0.00 H new ATOM 0 HA ARG A 15 2.003 2.371 8.634 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.085 3.661 9.066 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.872 2.838 7.850 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.079 0.863 9.238 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.085 1.482 10.393 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.651 3.536 10.476 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.770 2.295 9.944 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.517 1.064 12.057 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.052 4.213 11.626 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.559 4.326 13.314 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.172 1.216 14.224 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.063 2.636 14.779 1.00 0.00 H new ATOM 199 N ASN A 16 1.290 -0.088 8.933 1.00 0.00 N ATOM 200 CA ASN A 16 1.228 -1.545 8.922 1.00 0.00 C ATOM 201 C ASN A 16 -0.190 -2.028 8.635 1.00 0.00 C ATOM 202 O ASN A 16 -1.161 -1.473 9.149 1.00 0.00 O ATOM 203 CB ASN A 16 1.709 -2.107 10.262 1.00 0.00 C ATOM 204 CG ASN A 16 1.214 -1.291 11.441 1.00 0.00 C ATOM 205 OD1 ASN A 16 1.960 -0.251 11.796 1.00 0.00 O flip ATOM 206 ND2 ASN A 16 0.174 -1.593 12.026 1.00 0.00 N flip ATOM 0 H ASN A 16 1.523 0.318 9.840 1.00 0.00 H new ATOM 0 HA ASN A 16 1.882 -1.905 8.128 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.365 -3.136 10.366 1.00 0.00 H new ATOM 0 HB3 ASN A 16 2.799 -2.132 10.273 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -0.368 -2.401 11.719 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.146 -1.035 12.818 1.00 0.00 H new ATOM 213 N GLU A 17 -0.301 -3.065 7.811 1.00 0.00 N ATOM 214 CA GLU A 17 -1.601 -3.622 7.455 1.00 0.00 C ATOM 215 C GLU A 17 -1.592 -5.144 7.575 1.00 0.00 C ATOM 216 O GLU A 17 -0.571 -5.788 7.340 1.00 0.00 O ATOM 217 CB GLU A 17 -1.983 -3.214 6.031 1.00 0.00 C ATOM 218 CG GLU A 17 -3.483 -3.161 5.795 1.00 0.00 C ATOM 219 CD GLU A 17 -4.135 -4.528 5.874 1.00 0.00 C ATOM 220 OE1 GLU A 17 -3.728 -5.424 5.105 1.00 0.00 O ATOM 221 OE2 GLU A 17 -5.051 -4.701 6.705 1.00 0.00 O ATOM 0 H GLU A 17 0.493 -3.536 7.378 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.341 -3.224 8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.555 -2.235 5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.538 -3.918 5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.940 -2.502 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.678 -2.726 4.815 1.00 0.00 H new ATOM 228 N GLU A 18 -2.737 -5.709 7.944 1.00 0.00 N ATOM 229 CA GLU A 18 -2.861 -7.154 8.097 1.00 0.00 C ATOM 230 C GLU A 18 -4.164 -7.656 7.482 1.00 0.00 C ATOM 231 O GLU A 18 -5.237 -7.118 7.751 1.00 0.00 O ATOM 232 CB GLU A 18 -2.800 -7.540 9.576 1.00 0.00 C ATOM 233 CG GLU A 18 -2.702 -9.038 9.811 1.00 0.00 C ATOM 234 CD GLU A 18 -2.559 -9.390 11.279 1.00 0.00 C ATOM 235 OE1 GLU A 18 -3.331 -8.849 12.097 1.00 0.00 O ATOM 236 OE2 GLU A 18 -1.674 -10.207 11.608 1.00 0.00 O ATOM 0 H GLU A 18 -3.592 -5.189 8.142 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.028 -7.622 7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.940 -7.052 10.035 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.689 -7.159 10.079 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.591 -9.524 9.410 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.848 -9.433 9.262 1.00 0.00 H new ATOM 243 N ALA A 19 -4.060 -8.691 6.654 1.00 0.00 N ATOM 244 CA ALA A 19 -5.229 -9.268 6.002 1.00 0.00 C ATOM 245 C ALA A 19 -5.063 -10.771 5.806 1.00 0.00 C ATOM 246 O ALA A 19 -3.948 -11.264 5.636 1.00 0.00 O ATOM 247 CB ALA A 19 -5.480 -8.584 4.666 1.00 0.00 C ATOM 0 H ALA A 19 -3.178 -9.147 6.419 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.091 -9.106 6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.356 -9.025 4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.653 -7.520 4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.612 -8.716 4.021 1.00 0.00 H new ATOM 253 N MET A 20 -6.178 -11.493 5.831 1.00 0.00 N ATOM 254 CA MET A 20 -6.154 -12.941 5.655 1.00 0.00 C ATOM 255 C MET A 20 -5.729 -13.309 4.237 1.00 0.00 C ATOM 256 O MET A 20 -5.786 -12.482 3.328 1.00 0.00 O ATOM 257 CB MET A 20 -7.531 -13.535 5.957 1.00 0.00 C ATOM 258 CG MET A 20 -7.725 -13.907 7.418 1.00 0.00 C ATOM 259 SD MET A 20 -8.915 -15.243 7.643 1.00 0.00 S ATOM 260 CE MET A 20 -7.822 -16.609 8.028 1.00 0.00 C ATOM 0 H MET A 20 -7.109 -11.100 5.971 1.00 0.00 H new ATOM 0 HA MET A 20 -5.426 -13.355 6.353 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.299 -12.817 5.668 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.678 -14.423 5.342 1.00 0.00 H new ATOM 0 HG2 MET A 20 -6.766 -14.204 7.844 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.061 -13.030 7.971 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.412 -17.507 8.212 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.148 -16.783 7.189 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.240 -16.369 8.918 1.00 0.00 H new ATOM 270 N GLU A 21 -5.302 -14.555 4.057 1.00 0.00 N ATOM 271 CA GLU A 21 -4.866 -15.031 2.750 1.00 0.00 C ATOM 272 C GLU A 21 -6.047 -15.147 1.791 1.00 0.00 C ATOM 273 O GLU A 21 -7.090 -15.701 2.137 1.00 0.00 O ATOM 274 CB GLU A 21 -4.168 -16.386 2.882 1.00 0.00 C ATOM 275 CG GLU A 21 -4.244 -17.236 1.625 1.00 0.00 C ATOM 276 CD GLU A 21 -3.588 -18.592 1.796 1.00 0.00 C ATOM 277 OE1 GLU A 21 -4.210 -19.477 2.421 1.00 0.00 O ATOM 278 OE2 GLU A 21 -2.453 -18.769 1.306 1.00 0.00 O ATOM 0 H GLU A 21 -5.249 -15.252 4.799 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.161 -14.305 2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.121 -16.222 3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.615 -16.936 3.710 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.289 -17.375 1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.764 -16.706 0.803 1.00 0.00 H new ATOM 285 N GLY A 22 -5.876 -14.618 0.583 1.00 0.00 N ATOM 286 CA GLY A 22 -6.936 -14.671 -0.407 1.00 0.00 C ATOM 287 C GLY A 22 -7.817 -13.438 -0.380 1.00 0.00 C ATOM 288 O GLY A 22 -8.741 -13.310 -1.183 1.00 0.00 O ATOM 0 H GLY A 22 -5.022 -14.154 0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.497 -14.779 -1.399 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.549 -15.555 -0.232 1.00 0.00 H new ATOM 292 N ALA A 23 -7.531 -12.529 0.546 1.00 0.00 N ATOM 293 CA ALA A 23 -8.304 -11.299 0.674 1.00 0.00 C ATOM 294 C ALA A 23 -7.716 -10.189 -0.190 1.00 0.00 C ATOM 295 O ALA A 23 -6.668 -10.361 -0.813 1.00 0.00 O ATOM 296 CB ALA A 23 -8.364 -10.863 2.130 1.00 0.00 C ATOM 0 H ALA A 23 -6.770 -12.621 1.219 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.317 -11.497 0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.944 -9.944 2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.838 -11.644 2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.354 -10.688 2.499 1.00 0.00 H new ATOM 302 N THR A 24 -8.398 -9.048 -0.223 1.00 0.00 N ATOM 303 CA THR A 24 -7.944 -7.909 -1.012 1.00 0.00 C ATOM 304 C THR A 24 -7.338 -6.830 -0.122 1.00 0.00 C ATOM 305 O THR A 24 -8.048 -5.970 0.397 1.00 0.00 O ATOM 306 CB THR A 24 -9.097 -7.297 -1.829 1.00 0.00 C ATOM 307 OG1 THR A 24 -9.829 -8.331 -2.496 1.00 0.00 O ATOM 308 CG2 THR A 24 -8.568 -6.303 -2.852 1.00 0.00 C ATOM 0 H THR A 24 -9.267 -8.888 0.287 1.00 0.00 H new ATOM 0 HA THR A 24 -7.182 -8.282 -1.696 1.00 0.00 H new ATOM 0 HB THR A 24 -9.759 -6.770 -1.142 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.561 -7.933 -3.012 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.401 -5.884 -3.417 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.037 -5.501 -2.339 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.886 -6.811 -3.534 1.00 0.00 H new ATOM 316 N ALA A 25 -6.021 -6.882 0.049 1.00 0.00 N ATOM 317 CA ALA A 25 -5.319 -5.907 0.874 1.00 0.00 C ATOM 318 C ALA A 25 -5.505 -4.493 0.332 1.00 0.00 C ATOM 319 O ALA A 25 -5.820 -4.304 -0.843 1.00 0.00 O ATOM 320 CB ALA A 25 -3.840 -6.252 0.956 1.00 0.00 C ATOM 0 H ALA A 25 -5.419 -7.589 -0.373 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.745 -5.943 1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.328 -5.515 1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.721 -7.242 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.409 -6.246 -0.045 1.00 0.00 H new ATOM 326 N THR A 26 -5.310 -3.502 1.197 1.00 0.00 N ATOM 327 CA THR A 26 -5.458 -2.106 0.805 1.00 0.00 C ATOM 328 C THR A 26 -4.553 -1.203 1.636 1.00 0.00 C ATOM 329 O THR A 26 -4.756 -1.044 2.841 1.00 0.00 O ATOM 330 CB THR A 26 -6.915 -1.632 0.955 1.00 0.00 C ATOM 331 OG1 THR A 26 -7.804 -2.585 0.360 1.00 0.00 O ATOM 332 CG2 THR A 26 -7.112 -0.272 0.304 1.00 0.00 C ATOM 0 H THR A 26 -5.049 -3.641 2.173 1.00 0.00 H new ATOM 0 HA THR A 26 -5.169 -2.040 -0.244 1.00 0.00 H new ATOM 0 HB THR A 26 -7.137 -1.543 2.018 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.729 -2.277 0.461 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.149 0.042 0.423 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.456 0.457 0.779 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.873 -0.339 -0.757 1.00 0.00 H new ATOM 340 N LEU A 27 -3.556 -0.614 0.987 1.00 0.00 N ATOM 341 CA LEU A 27 -2.620 0.275 1.667 1.00 0.00 C ATOM 342 C LEU A 27 -2.976 1.736 1.414 1.00 0.00 C ATOM 343 O LEU A 27 -3.705 2.053 0.475 1.00 0.00 O ATOM 344 CB LEU A 27 -1.190 -0.002 1.198 1.00 0.00 C ATOM 345 CG LEU A 27 -0.464 -1.151 1.899 1.00 0.00 C ATOM 346 CD1 LEU A 27 0.768 -1.564 1.110 1.00 0.00 C ATOM 347 CD2 LEU A 27 -0.083 -0.753 3.317 1.00 0.00 C ATOM 0 H LEU A 27 -3.374 -0.735 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.688 0.084 2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.214 -0.213 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.603 0.907 1.331 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.139 -2.005 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.272 -2.383 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.470 -1.890 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.447 -0.716 1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.433 -1.582 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.575 0.116 3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.983 -0.507 3.880 1.00 0.00 H new ATOM 359 N GLN A 28 -2.454 2.621 2.258 1.00 0.00 N ATOM 360 CA GLN A 28 -2.716 4.049 2.125 1.00 0.00 C ATOM 361 C GLN A 28 -1.460 4.863 2.417 1.00 0.00 C ATOM 362 O GLN A 28 -0.605 4.443 3.198 1.00 0.00 O ATOM 363 CB GLN A 28 -3.844 4.472 3.068 1.00 0.00 C ATOM 364 CG GLN A 28 -4.585 5.718 2.609 1.00 0.00 C ATOM 365 CD GLN A 28 -3.894 6.998 3.036 1.00 0.00 C ATOM 366 OE1 GLN A 28 -3.411 7.762 2.063 1.00 0.00 O flip ATOM 367 NE2 GLN A 28 -3.796 7.297 4.226 1.00 0.00 N flip ATOM 0 H GLN A 28 -1.848 2.374 3.040 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.020 4.243 1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.555 3.651 3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.429 4.651 4.060 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.675 5.703 1.523 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.597 5.704 3.013 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.182 6.680 4.940 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.329 8.162 4.498 1.00 0.00 H new ATOM 376 N CYS A 29 -1.355 6.027 1.787 1.00 0.00 N ATOM 377 CA CYS A 29 -0.202 6.900 1.979 1.00 0.00 C ATOM 378 C CYS A 29 -0.458 8.279 1.380 1.00 0.00 C ATOM 379 O CYS A 29 -0.806 8.401 0.206 1.00 0.00 O ATOM 380 CB CYS A 29 1.044 6.279 1.347 1.00 0.00 C ATOM 381 SG CYS A 29 0.727 5.400 -0.201 1.00 0.00 S ATOM 0 H CYS A 29 -2.054 6.389 1.138 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.038 7.015 3.051 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.775 7.066 1.162 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.493 5.587 2.060 1.00 0.00 H new ATOM 0 HG CYS A 29 1.841 4.912 -0.659 1.00 0.00 H new ATOM 387 N GLU A 30 -0.285 9.314 2.195 1.00 0.00 N ATOM 388 CA GLU A 30 -0.500 10.685 1.746 1.00 0.00 C ATOM 389 C GLU A 30 0.821 11.444 1.665 1.00 0.00 C ATOM 390 O GLU A 30 1.621 11.424 2.602 1.00 0.00 O ATOM 391 CB GLU A 30 -1.461 11.410 2.689 1.00 0.00 C ATOM 392 CG GLU A 30 -2.031 12.694 2.109 1.00 0.00 C ATOM 393 CD GLU A 30 -3.151 13.268 2.954 1.00 0.00 C ATOM 394 OE1 GLU A 30 -4.305 12.819 2.795 1.00 0.00 O ATOM 395 OE2 GLU A 30 -2.873 14.168 3.775 1.00 0.00 O ATOM 0 H GLU A 30 0.003 9.230 3.170 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.940 10.649 0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.282 10.740 2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.940 11.641 3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.234 13.432 2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.403 12.500 1.103 1.00 0.00 H new ATOM 402 N LEU A 31 1.044 12.114 0.539 1.00 0.00 N ATOM 403 CA LEU A 31 2.268 12.880 0.335 1.00 0.00 C ATOM 404 C LEU A 31 2.037 14.361 0.617 1.00 0.00 C ATOM 405 O LEU A 31 0.906 14.845 0.559 1.00 0.00 O ATOM 406 CB LEU A 31 2.776 12.695 -1.096 1.00 0.00 C ATOM 407 CG LEU A 31 3.143 11.266 -1.499 1.00 0.00 C ATOM 408 CD1 LEU A 31 2.951 11.067 -2.994 1.00 0.00 C ATOM 409 CD2 LEU A 31 4.576 10.950 -1.097 1.00 0.00 C ATOM 0 H LEU A 31 0.393 12.142 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 31 3.020 12.509 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.011 13.059 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.654 13.327 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 31 2.479 10.579 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.217 10.045 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.909 11.251 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.589 11.763 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.820 9.929 -1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.255 11.643 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.682 11.051 -0.017 1.00 0.00 H new ATOM 421 N SER A 32 3.115 15.077 0.919 1.00 0.00 N ATOM 422 CA SER A 32 3.030 16.503 1.211 1.00 0.00 C ATOM 423 C SER A 32 2.357 17.253 0.065 1.00 0.00 C ATOM 424 O SER A 32 1.865 18.367 0.241 1.00 0.00 O ATOM 425 CB SER A 32 4.425 17.078 1.462 1.00 0.00 C ATOM 426 OG SER A 32 4.791 16.950 2.825 1.00 0.00 O ATOM 0 H SER A 32 4.058 14.693 0.968 1.00 0.00 H new ATOM 0 HA SER A 32 2.426 16.629 2.109 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.153 16.561 0.837 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.446 18.129 1.174 1.00 0.00 H new ATOM 0 HG SER A 32 5.193 16.069 2.974 1.00 0.00 H new ATOM 432 N LYS A 33 2.340 16.633 -1.110 1.00 0.00 N ATOM 433 CA LYS A 33 1.727 17.238 -2.286 1.00 0.00 C ATOM 434 C LYS A 33 1.576 16.216 -3.408 1.00 0.00 C ATOM 435 O LYS A 33 2.235 15.177 -3.407 1.00 0.00 O ATOM 436 CB LYS A 33 2.566 18.423 -2.771 1.00 0.00 C ATOM 437 CG LYS A 33 3.947 18.029 -3.265 1.00 0.00 C ATOM 438 CD LYS A 33 4.528 19.081 -4.194 1.00 0.00 C ATOM 439 CE LYS A 33 4.100 18.851 -5.635 1.00 0.00 C ATOM 440 NZ LYS A 33 4.653 19.887 -6.550 1.00 0.00 N ATOM 0 H LYS A 33 2.744 15.711 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 33 0.735 17.593 -2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.033 18.930 -3.575 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.671 19.140 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.612 17.887 -2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.889 17.074 -3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.205 20.071 -3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.616 19.064 -4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.433 17.865 -5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.012 18.856 -5.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.338 19.695 -7.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.315 20.826 -6.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.692 19.865 -6.512 1.00 0.00 H new ATOM 454 N ALA A 34 0.704 16.518 -4.365 1.00 0.00 N ATOM 455 CA ALA A 34 0.470 15.628 -5.494 1.00 0.00 C ATOM 456 C ALA A 34 1.747 15.414 -6.300 1.00 0.00 C ATOM 457 O ALA A 34 2.367 16.371 -6.762 1.00 0.00 O ATOM 458 CB ALA A 34 -0.632 16.183 -6.385 1.00 0.00 C ATOM 0 H ALA A 34 0.148 17.373 -4.380 1.00 0.00 H new ATOM 0 HA ALA A 34 0.153 14.662 -5.102 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.796 15.507 -7.225 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.553 16.277 -5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.338 17.163 -6.760 1.00 0.00 H new ATOM 464 N ALA A 35 2.134 14.154 -6.463 1.00 0.00 N ATOM 465 CA ALA A 35 3.337 13.816 -7.214 1.00 0.00 C ATOM 466 C ALA A 35 3.318 12.355 -7.652 1.00 0.00 C ATOM 467 O ALA A 35 2.618 11.519 -7.080 1.00 0.00 O ATOM 468 CB ALA A 35 4.577 14.104 -6.382 1.00 0.00 C ATOM 0 H ALA A 35 1.632 13.350 -6.085 1.00 0.00 H new ATOM 0 HA ALA A 35 3.363 14.436 -8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.468 13.847 -6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.604 15.163 -6.124 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.549 13.509 -5.469 1.00 0.00 H new ATOM 474 N PRO A 36 4.105 12.038 -8.691 1.00 0.00 N ATOM 475 CA PRO A 36 4.197 10.677 -9.228 1.00 0.00 C ATOM 476 C PRO A 36 4.906 9.723 -8.273 1.00 0.00 C ATOM 477 O PRO A 36 5.970 10.039 -7.740 1.00 0.00 O ATOM 478 CB PRO A 36 5.013 10.855 -10.510 1.00 0.00 C ATOM 479 CG PRO A 36 5.818 12.087 -10.278 1.00 0.00 C ATOM 480 CD PRO A 36 4.967 12.983 -9.420 1.00 0.00 C ATOM 0 HA PRO A 36 3.213 10.236 -9.391 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.653 9.993 -10.695 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.365 10.963 -11.380 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.759 11.850 -9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.068 12.573 -11.221 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.573 13.582 -8.740 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.382 13.679 -10.022 1.00 0.00 H new ATOM 488 N VAL A 37 4.311 8.553 -8.061 1.00 0.00 N ATOM 489 CA VAL A 37 4.887 7.552 -7.172 1.00 0.00 C ATOM 490 C VAL A 37 4.932 6.183 -7.841 1.00 0.00 C ATOM 491 O VAL A 37 4.222 5.934 -8.814 1.00 0.00 O ATOM 492 CB VAL A 37 4.090 7.443 -5.858 1.00 0.00 C ATOM 493 CG1 VAL A 37 3.926 8.813 -5.218 1.00 0.00 C ATOM 494 CG2 VAL A 37 2.736 6.797 -6.109 1.00 0.00 C ATOM 0 H VAL A 37 3.430 8.276 -8.493 1.00 0.00 H new ATOM 0 HA VAL A 37 5.903 7.876 -6.947 1.00 0.00 H new ATOM 0 HB VAL A 37 4.646 6.810 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.361 8.716 -4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.908 9.234 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.392 9.472 -5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.186 6.728 -5.170 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.170 7.402 -6.817 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.880 5.798 -6.520 1.00 0.00 H new ATOM 504 N GLU A 38 5.772 5.299 -7.311 1.00 0.00 N ATOM 505 CA GLU A 38 5.910 3.954 -7.858 1.00 0.00 C ATOM 506 C GLU A 38 6.017 2.920 -6.741 1.00 0.00 C ATOM 507 O GLU A 38 6.810 3.076 -5.812 1.00 0.00 O ATOM 508 CB GLU A 38 7.140 3.872 -8.765 1.00 0.00 C ATOM 509 CG GLU A 38 7.222 2.582 -9.564 1.00 0.00 C ATOM 510 CD GLU A 38 8.304 2.621 -10.625 1.00 0.00 C ATOM 511 OE1 GLU A 38 8.053 3.192 -11.707 1.00 0.00 O ATOM 512 OE2 GLU A 38 9.402 2.081 -10.374 1.00 0.00 O ATOM 0 H GLU A 38 6.367 5.490 -6.504 1.00 0.00 H new ATOM 0 HA GLU A 38 5.019 3.736 -8.446 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.130 4.716 -9.454 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.038 3.969 -8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.413 1.750 -8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.260 2.391 -10.039 1.00 0.00 H new ATOM 519 N TRP A 39 5.214 1.867 -6.839 1.00 0.00 N ATOM 520 CA TRP A 39 5.218 0.808 -5.836 1.00 0.00 C ATOM 521 C TRP A 39 6.188 -0.304 -6.223 1.00 0.00 C ATOM 522 O TRP A 39 6.370 -0.598 -7.404 1.00 0.00 O ATOM 523 CB TRP A 39 3.810 0.236 -5.663 1.00 0.00 C ATOM 524 CG TRP A 39 2.768 1.286 -5.422 1.00 0.00 C ATOM 525 CD1 TRP A 39 2.252 2.154 -6.342 1.00 0.00 C ATOM 526 CD2 TRP A 39 2.118 1.579 -4.181 1.00 0.00 C ATOM 527 NE1 TRP A 39 1.320 2.970 -5.746 1.00 0.00 N ATOM 528 CE2 TRP A 39 1.218 2.636 -4.422 1.00 0.00 C ATOM 529 CE3 TRP A 39 2.206 1.050 -2.891 1.00 0.00 C ATOM 530 CZ2 TRP A 39 0.415 3.173 -3.419 1.00 0.00 C ATOM 531 CZ3 TRP A 39 1.408 1.584 -1.896 1.00 0.00 C ATOM 532 CH2 TRP A 39 0.522 2.636 -2.164 1.00 0.00 C ATOM 0 H TRP A 39 4.552 1.723 -7.602 1.00 0.00 H new ATOM 0 HA TRP A 39 5.546 1.238 -4.890 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.544 -0.332 -6.555 1.00 0.00 H new ATOM 0 HB3 TRP A 39 3.810 -0.464 -4.828 1.00 0.00 H new ATOM 0 HD1 TRP A 39 2.535 2.193 -7.384 1.00 0.00 H new ATOM 0 HE1 TRP A 39 0.790 3.705 -6.214 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.885 0.239 -2.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -0.268 3.984 -3.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.469 1.183 -0.895 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.088 3.031 -1.365 1.00 0.00 H new ATOM 543 N ARG A 40 6.806 -0.919 -5.220 1.00 0.00 N ATOM 544 CA ARG A 40 7.758 -1.998 -5.456 1.00 0.00 C ATOM 545 C ARG A 40 7.712 -3.020 -4.325 1.00 0.00 C ATOM 546 O ARG A 40 8.012 -2.703 -3.174 1.00 0.00 O ATOM 547 CB ARG A 40 9.174 -1.436 -5.594 1.00 0.00 C ATOM 548 CG ARG A 40 9.420 -0.719 -6.911 1.00 0.00 C ATOM 549 CD ARG A 40 10.896 -0.407 -7.109 1.00 0.00 C ATOM 550 NE ARG A 40 11.627 -1.546 -7.657 1.00 0.00 N ATOM 551 CZ ARG A 40 12.776 -1.434 -8.315 1.00 0.00 C ATOM 552 NH1 ARG A 40 13.322 -0.240 -8.504 1.00 0.00 N ATOM 553 NH2 ARG A 40 13.382 -2.517 -8.784 1.00 0.00 N ATOM 0 H ARG A 40 6.665 -0.689 -4.236 1.00 0.00 H new ATOM 0 HA ARG A 40 7.481 -2.497 -6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.363 -0.744 -4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.890 -2.251 -5.495 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.064 -1.337 -7.735 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.845 0.207 -6.935 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.999 0.447 -7.779 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.337 -0.118 -6.155 1.00 0.00 H new ATOM 0 HE ARG A 40 11.234 -2.478 -7.528 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.860 0.595 -8.144 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.204 -0.157 -9.009 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.966 -3.437 -8.640 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.264 -2.430 -9.289 1.00 0.00 H new ATOM 567 N LYS A 41 7.335 -4.249 -4.660 1.00 0.00 N ATOM 568 CA LYS A 41 7.250 -5.320 -3.674 1.00 0.00 C ATOM 569 C LYS A 41 8.617 -5.955 -3.442 1.00 0.00 C ATOM 570 O LYS A 41 8.727 -7.168 -3.263 1.00 0.00 O ATOM 571 CB LYS A 41 6.252 -6.386 -4.133 1.00 0.00 C ATOM 572 CG LYS A 41 6.646 -7.070 -5.430 1.00 0.00 C ATOM 573 CD LYS A 41 5.765 -8.275 -5.715 1.00 0.00 C ATOM 574 CE LYS A 41 6.135 -9.457 -4.831 1.00 0.00 C ATOM 575 NZ LYS A 41 5.741 -10.754 -5.447 1.00 0.00 N ATOM 0 H LYS A 41 7.083 -4.529 -5.608 1.00 0.00 H new ATOM 0 HA LYS A 41 6.905 -4.889 -2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.152 -7.139 -3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.272 -5.925 -4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.571 -6.360 -6.254 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.688 -7.385 -5.374 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.720 -8.010 -5.552 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.862 -8.558 -6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.210 -9.453 -4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.648 -9.352 -3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.010 -11.535 -4.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.712 -10.769 -5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.226 -10.866 -6.360 1.00 0.00 H new ATOM 589 N GLY A 42 9.658 -5.128 -3.444 1.00 0.00 N ATOM 590 CA GLY A 42 11.004 -5.627 -3.231 1.00 0.00 C ATOM 591 C GLY A 42 11.918 -5.348 -4.407 1.00 0.00 C ATOM 592 O GLY A 42 12.424 -4.236 -4.560 1.00 0.00 O ATOM 0 H GLY A 42 9.593 -4.121 -3.589 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.421 -5.168 -2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.966 -6.701 -3.051 1.00 0.00 H new ATOM 596 N LEU A 43 12.133 -6.360 -5.240 1.00 0.00 N ATOM 597 CA LEU A 43 12.995 -6.220 -6.409 1.00 0.00 C ATOM 598 C LEU A 43 12.179 -6.261 -7.696 1.00 0.00 C ATOM 599 O LEU A 43 12.688 -6.630 -8.754 1.00 0.00 O ATOM 600 CB LEU A 43 14.051 -7.327 -6.425 1.00 0.00 C ATOM 601 CG LEU A 43 15.292 -7.084 -5.566 1.00 0.00 C ATOM 602 CD1 LEU A 43 15.882 -8.404 -5.095 1.00 0.00 C ATOM 603 CD2 LEU A 43 16.327 -6.281 -6.341 1.00 0.00 C ATOM 0 H LEU A 43 11.722 -7.287 -5.128 1.00 0.00 H new ATOM 0 HA LEU A 43 13.493 -5.252 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.582 -8.254 -6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.372 -7.481 -7.455 1.00 0.00 H new ATOM 0 HG LEU A 43 14.997 -6.508 -4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.765 -8.211 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.142 -8.942 -4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 43 16.163 -9.006 -5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 43 17.204 -6.117 -5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 43 16.618 -6.831 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 43 15.901 -5.319 -6.628 1.00 0.00 H new ATOM 615 N GLU A 44 10.910 -5.878 -7.599 1.00 0.00 N ATOM 616 CA GLU A 44 10.023 -5.870 -8.757 1.00 0.00 C ATOM 617 C GLU A 44 9.448 -4.477 -8.993 1.00 0.00 C ATOM 618 O GLU A 44 9.310 -3.685 -8.061 1.00 0.00 O ATOM 619 CB GLU A 44 8.887 -6.877 -8.564 1.00 0.00 C ATOM 620 CG GLU A 44 8.005 -7.041 -9.790 1.00 0.00 C ATOM 621 CD GLU A 44 8.697 -7.792 -10.910 1.00 0.00 C ATOM 622 OE1 GLU A 44 8.838 -9.028 -10.799 1.00 0.00 O ATOM 623 OE2 GLU A 44 9.099 -7.144 -11.899 1.00 0.00 O ATOM 0 H GLU A 44 10.473 -5.569 -6.731 1.00 0.00 H new ATOM 0 HA GLU A 44 10.607 -6.155 -9.632 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.312 -7.845 -8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.270 -6.560 -7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.095 -7.572 -9.510 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.703 -6.057 -10.150 1.00 0.00 H new ATOM 630 N ALA A 45 9.116 -4.185 -10.246 1.00 0.00 N ATOM 631 CA ALA A 45 8.554 -2.888 -10.605 1.00 0.00 C ATOM 632 C ALA A 45 7.056 -2.993 -10.870 1.00 0.00 C ATOM 633 O ALA A 45 6.621 -3.035 -12.022 1.00 0.00 O ATOM 634 CB ALA A 45 9.270 -2.322 -11.823 1.00 0.00 C ATOM 0 H ALA A 45 9.226 -4.829 -11.030 1.00 0.00 H new ATOM 0 HA ALA A 45 8.700 -2.210 -9.764 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.841 -1.354 -12.080 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.330 -2.201 -11.598 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.153 -3.006 -12.664 1.00 0.00 H new ATOM 640 N LEU A 46 6.272 -3.035 -9.799 1.00 0.00 N ATOM 641 CA LEU A 46 4.821 -3.136 -9.916 1.00 0.00 C ATOM 642 C LEU A 46 4.275 -2.062 -10.853 1.00 0.00 C ATOM 643 O LEU A 46 4.804 -0.952 -10.916 1.00 0.00 O ATOM 644 CB LEU A 46 4.169 -3.007 -8.539 1.00 0.00 C ATOM 645 CG LEU A 46 4.706 -3.940 -7.452 1.00 0.00 C ATOM 646 CD1 LEU A 46 4.312 -3.434 -6.073 1.00 0.00 C ATOM 647 CD2 LEU A 46 4.198 -5.358 -7.668 1.00 0.00 C ATOM 0 H LEU A 46 6.616 -3.001 -8.839 1.00 0.00 H new ATOM 0 HA LEU A 46 4.581 -4.114 -10.334 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.287 -1.978 -8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.099 -3.186 -8.647 1.00 0.00 H new ATOM 0 HG LEU A 46 5.794 -3.952 -7.515 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.702 -4.110 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.725 -2.437 -5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.225 -3.392 -5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.590 -6.008 -6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.109 -5.364 -7.633 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.531 -5.720 -8.641 1.00 0.00 H new ATOM 659 N ARG A 47 3.213 -2.401 -11.576 1.00 0.00 N ATOM 660 CA ARG A 47 2.594 -1.466 -12.508 1.00 0.00 C ATOM 661 C ARG A 47 1.073 -1.569 -12.452 1.00 0.00 C ATOM 662 O ARG A 47 0.523 -2.633 -12.167 1.00 0.00 O ATOM 663 CB ARG A 47 3.082 -1.735 -13.933 1.00 0.00 C ATOM 664 CG ARG A 47 2.838 -3.160 -14.402 1.00 0.00 C ATOM 665 CD ARG A 47 3.836 -3.573 -15.472 1.00 0.00 C ATOM 666 NE ARG A 47 5.114 -3.987 -14.898 1.00 0.00 N ATOM 667 CZ ARG A 47 5.996 -4.746 -15.539 1.00 0.00 C ATOM 668 NH1 ARG A 47 5.741 -5.169 -16.769 1.00 0.00 N ATOM 669 NH2 ARG A 47 7.137 -5.081 -14.950 1.00 0.00 N ATOM 0 H ARG A 47 2.763 -3.316 -11.535 1.00 0.00 H new ATOM 0 HA ARG A 47 2.883 -0.456 -12.216 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.583 -1.047 -14.615 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.149 -1.521 -13.989 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.910 -3.841 -13.554 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.825 -3.246 -14.795 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.420 -4.392 -16.059 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.999 -2.741 -16.157 1.00 0.00 H new ATOM 0 HE ARG A 47 5.342 -3.676 -13.953 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.866 -4.912 -17.226 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.420 -5.752 -17.259 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.337 -4.756 -14.004 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.814 -5.664 -15.443 1.00 0.00 H new ATOM 683 N ASP A 48 0.400 -0.457 -12.726 1.00 0.00 N ATOM 684 CA ASP A 48 -1.058 -0.422 -12.708 1.00 0.00 C ATOM 685 C ASP A 48 -1.638 -1.358 -13.763 1.00 0.00 C ATOM 686 O ASP A 48 -1.368 -1.211 -14.954 1.00 0.00 O ATOM 687 CB ASP A 48 -1.558 1.004 -12.943 1.00 0.00 C ATOM 688 CG ASP A 48 -0.971 1.624 -14.196 1.00 0.00 C ATOM 689 OD1 ASP A 48 0.221 1.996 -14.171 1.00 0.00 O ATOM 690 OD2 ASP A 48 -1.703 1.737 -15.201 1.00 0.00 O ATOM 0 H ASP A 48 0.840 0.432 -12.963 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.392 -0.759 -11.727 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.645 0.997 -13.020 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.303 1.622 -12.082 1.00 0.00 H new ATOM 695 N GLY A 49 -2.436 -2.324 -13.317 1.00 0.00 N ATOM 696 CA GLY A 49 -3.040 -3.271 -14.236 1.00 0.00 C ATOM 697 C GLY A 49 -4.208 -4.014 -13.618 1.00 0.00 C ATOM 698 O GLY A 49 -5.058 -3.412 -12.962 1.00 0.00 O ATOM 0 H GLY A 49 -2.675 -2.467 -12.336 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.380 -2.742 -15.126 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.287 -3.989 -14.560 1.00 0.00 H new ATOM 702 N ASP A 50 -4.251 -5.325 -13.829 1.00 0.00 N ATOM 703 CA ASP A 50 -5.324 -6.151 -13.288 1.00 0.00 C ATOM 704 C ASP A 50 -4.970 -6.657 -11.893 1.00 0.00 C ATOM 705 O ASP A 50 -5.655 -6.351 -10.917 1.00 0.00 O ATOM 706 CB ASP A 50 -5.604 -7.333 -14.217 1.00 0.00 C ATOM 707 CG ASP A 50 -6.643 -7.008 -15.272 1.00 0.00 C ATOM 708 OD1 ASP A 50 -7.848 -7.020 -14.941 1.00 0.00 O ATOM 709 OD2 ASP A 50 -6.252 -6.740 -16.427 1.00 0.00 O ATOM 0 H ASP A 50 -3.556 -5.838 -14.371 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.221 -5.536 -13.215 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.677 -7.635 -14.705 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.945 -8.183 -13.626 1.00 0.00 H new ATOM 714 N LYS A 51 -3.896 -7.435 -11.806 1.00 0.00 N ATOM 715 CA LYS A 51 -3.450 -7.984 -10.532 1.00 0.00 C ATOM 716 C LYS A 51 -3.419 -6.904 -9.455 1.00 0.00 C ATOM 717 O LYS A 51 -3.901 -7.111 -8.341 1.00 0.00 O ATOM 718 CB LYS A 51 -2.061 -8.610 -10.681 1.00 0.00 C ATOM 719 CG LYS A 51 -1.432 -9.017 -9.360 1.00 0.00 C ATOM 720 CD LYS A 51 -2.011 -10.324 -8.845 1.00 0.00 C ATOM 721 CE LYS A 51 -1.322 -10.773 -7.565 1.00 0.00 C ATOM 722 NZ LYS A 51 -1.728 -12.150 -7.171 1.00 0.00 N ATOM 0 H LYS A 51 -3.318 -7.699 -12.604 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.159 -8.755 -10.229 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.134 -9.487 -11.324 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.404 -7.900 -11.183 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.354 -9.120 -9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.593 -8.231 -8.622 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.079 -10.203 -8.662 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.904 -11.096 -9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.241 -10.738 -7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.563 -10.079 -6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.237 -12.419 -6.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.756 -12.178 -7.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.475 -12.817 -7.928 1.00 0.00 H new ATOM 736 N TYR A 52 -2.851 -5.753 -9.794 1.00 0.00 N ATOM 737 CA TYR A 52 -2.757 -4.641 -8.856 1.00 0.00 C ATOM 738 C TYR A 52 -3.657 -3.487 -9.286 1.00 0.00 C ATOM 739 O TYR A 52 -3.563 -2.998 -10.412 1.00 0.00 O ATOM 740 CB TYR A 52 -1.309 -4.159 -8.747 1.00 0.00 C ATOM 741 CG TYR A 52 -0.353 -5.220 -8.250 1.00 0.00 C ATOM 742 CD1 TYR A 52 -0.326 -5.586 -6.910 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.523 -5.857 -9.120 1.00 0.00 C ATOM 744 CE1 TYR A 52 0.545 -6.554 -6.451 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.397 -6.827 -8.670 1.00 0.00 C ATOM 746 CZ TYR A 52 1.405 -7.173 -7.335 1.00 0.00 C ATOM 747 OH TYR A 52 2.275 -8.138 -6.882 1.00 0.00 O ATOM 0 H TYR A 52 -2.448 -5.565 -10.712 1.00 0.00 H new ATOM 0 HA TYR A 52 -3.091 -4.994 -7.880 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.976 -3.811 -9.725 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.270 -3.303 -8.074 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.998 -5.105 -6.215 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.520 -5.589 -10.166 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.553 -6.825 -5.406 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.071 -7.312 -9.360 1.00 0.00 H new ATOM 0 HH TYR A 52 2.810 -8.474 -7.631 1.00 0.00 H new ATOM 757 N SER A 53 -4.530 -3.057 -8.380 1.00 0.00 N ATOM 758 CA SER A 53 -5.451 -1.963 -8.666 1.00 0.00 C ATOM 759 C SER A 53 -4.986 -0.673 -7.997 1.00 0.00 C ATOM 760 O SER A 53 -5.413 -0.345 -6.889 1.00 0.00 O ATOM 761 CB SER A 53 -6.861 -2.318 -8.190 1.00 0.00 C ATOM 762 OG SER A 53 -7.563 -3.053 -9.178 1.00 0.00 O ATOM 0 H SER A 53 -4.619 -3.449 -7.443 1.00 0.00 H new ATOM 0 HA SER A 53 -5.468 -1.807 -9.745 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.802 -2.902 -7.271 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.409 -1.406 -7.953 1.00 0.00 H new ATOM 0 HG SER A 53 -7.830 -3.922 -8.811 1.00 0.00 H new ATOM 768 N LEU A 54 -4.107 0.055 -8.677 1.00 0.00 N ATOM 769 CA LEU A 54 -3.583 1.310 -8.150 1.00 0.00 C ATOM 770 C LEU A 54 -4.580 2.446 -8.354 1.00 0.00 C ATOM 771 O LEU A 54 -4.775 2.920 -9.474 1.00 0.00 O ATOM 772 CB LEU A 54 -2.255 1.655 -8.826 1.00 0.00 C ATOM 773 CG LEU A 54 -1.037 0.855 -8.360 1.00 0.00 C ATOM 774 CD1 LEU A 54 -0.814 1.043 -6.868 1.00 0.00 C ATOM 775 CD2 LEU A 54 -1.208 -0.620 -8.695 1.00 0.00 C ATOM 0 H LEU A 54 -3.742 -0.202 -9.594 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.418 1.184 -7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.369 1.512 -9.901 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.053 2.714 -8.665 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.158 1.227 -8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.056 0.467 -6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.646 2.099 -6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.693 0.699 -6.323 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.332 -1.174 -8.356 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.097 -1.006 -8.196 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.317 -0.738 -9.773 1.00 0.00 H new ATOM 787 N ARG A 55 -5.207 2.879 -7.266 1.00 0.00 N ATOM 788 CA ARG A 55 -6.183 3.960 -7.326 1.00 0.00 C ATOM 789 C ARG A 55 -5.682 5.189 -6.572 1.00 0.00 C ATOM 790 O ARG A 55 -5.967 5.360 -5.387 1.00 0.00 O ATOM 791 CB ARG A 55 -7.521 3.501 -6.741 1.00 0.00 C ATOM 792 CG ARG A 55 -8.575 4.595 -6.701 1.00 0.00 C ATOM 793 CD ARG A 55 -9.142 4.874 -8.085 1.00 0.00 C ATOM 794 NE ARG A 55 -10.175 3.912 -8.457 1.00 0.00 N ATOM 795 CZ ARG A 55 -11.055 4.118 -9.430 1.00 0.00 C ATOM 796 NH1 ARG A 55 -11.027 5.247 -10.126 1.00 0.00 N ATOM 797 NH2 ARG A 55 -11.966 3.195 -9.710 1.00 0.00 N ATOM 0 H ARG A 55 -5.057 2.498 -6.332 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.324 4.230 -8.373 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.899 2.666 -7.331 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.357 3.129 -5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.381 4.301 -6.029 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.139 5.507 -6.295 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.559 5.881 -8.110 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.337 4.844 -8.819 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.224 3.033 -7.941 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.328 5.959 -9.914 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.704 5.403 -10.873 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.991 2.325 -9.178 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.641 3.355 -10.458 1.00 0.00 H new ATOM 811 N GLN A 56 -4.933 6.038 -7.268 1.00 0.00 N ATOM 812 CA GLN A 56 -4.390 7.249 -6.664 1.00 0.00 C ATOM 813 C GLN A 56 -5.331 8.431 -6.875 1.00 0.00 C ATOM 814 O GLN A 56 -5.692 8.756 -8.006 1.00 0.00 O ATOM 815 CB GLN A 56 -3.015 7.566 -7.252 1.00 0.00 C ATOM 816 CG GLN A 56 -2.382 8.823 -6.678 1.00 0.00 C ATOM 817 CD GLN A 56 -0.924 8.972 -7.065 1.00 0.00 C ATOM 818 OE1 GLN A 56 -0.375 8.144 -7.793 1.00 0.00 O ATOM 819 NE2 GLN A 56 -0.287 10.032 -6.580 1.00 0.00 N ATOM 0 H GLN A 56 -4.688 5.910 -8.250 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.287 7.076 -5.593 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.350 6.721 -7.075 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.108 7.677 -8.332 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.937 9.695 -7.024 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.465 8.803 -5.591 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.780 10.693 -5.980 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.696 10.185 -6.807 1.00 0.00 H new ATOM 828 N ASP A 57 -5.725 9.070 -5.779 1.00 0.00 N ATOM 829 CA ASP A 57 -6.623 10.217 -5.843 1.00 0.00 C ATOM 830 C ASP A 57 -5.903 11.496 -5.429 1.00 0.00 C ATOM 831 O ASP A 57 -5.959 11.905 -4.270 1.00 0.00 O ATOM 832 CB ASP A 57 -7.841 9.989 -4.946 1.00 0.00 C ATOM 833 CG ASP A 57 -8.414 8.593 -5.091 1.00 0.00 C ATOM 834 OD1 ASP A 57 -8.838 8.240 -6.211 1.00 0.00 O ATOM 835 OD2 ASP A 57 -8.439 7.854 -4.085 1.00 0.00 O ATOM 0 H ASP A 57 -5.436 8.813 -4.835 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.957 10.328 -6.875 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.559 10.157 -3.906 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.610 10.721 -5.190 1.00 0.00 H new ATOM 840 N GLY A 58 -5.225 12.124 -6.385 1.00 0.00 N ATOM 841 CA GLY A 58 -4.501 13.349 -6.100 1.00 0.00 C ATOM 842 C GLY A 58 -3.261 13.109 -5.263 1.00 0.00 C ATOM 843 O GLY A 58 -2.257 12.599 -5.760 1.00 0.00 O ATOM 0 H GLY A 58 -5.164 11.806 -7.352 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.216 13.825 -7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.159 14.043 -5.578 1.00 0.00 H new ATOM 847 N ALA A 59 -3.329 13.478 -3.988 1.00 0.00 N ATOM 848 CA ALA A 59 -2.203 13.299 -3.080 1.00 0.00 C ATOM 849 C ALA A 59 -2.348 12.015 -2.271 1.00 0.00 C ATOM 850 O ALA A 59 -1.366 11.476 -1.760 1.00 0.00 O ATOM 851 CB ALA A 59 -2.078 14.498 -2.152 1.00 0.00 C ATOM 0 H ALA A 59 -4.152 13.903 -3.561 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.295 13.220 -3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.233 14.351 -1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.919 15.400 -2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.992 14.603 -1.568 1.00 0.00 H new ATOM 857 N VAL A 60 -3.580 11.528 -2.158 1.00 0.00 N ATOM 858 CA VAL A 60 -3.854 10.306 -1.411 1.00 0.00 C ATOM 859 C VAL A 60 -3.706 9.075 -2.298 1.00 0.00 C ATOM 860 O VAL A 60 -4.587 8.766 -3.101 1.00 0.00 O ATOM 861 CB VAL A 60 -5.271 10.323 -0.808 1.00 0.00 C ATOM 862 CG1 VAL A 60 -5.572 9.003 -0.114 1.00 0.00 C ATOM 863 CG2 VAL A 60 -5.425 11.489 0.157 1.00 0.00 C ATOM 0 H VAL A 60 -4.404 11.961 -2.574 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.124 10.258 -0.603 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.990 10.453 -1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.577 9.034 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.505 8.189 -0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.850 8.839 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.432 11.486 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.698 11.392 0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.255 12.426 -0.374 1.00 0.00 H new ATOM 873 N CYS A 61 -2.587 8.376 -2.148 1.00 0.00 N ATOM 874 CA CYS A 61 -2.322 7.177 -2.936 1.00 0.00 C ATOM 875 C CYS A 61 -2.906 5.942 -2.259 1.00 0.00 C ATOM 876 O CYS A 61 -2.935 5.849 -1.033 1.00 0.00 O ATOM 877 CB CYS A 61 -0.817 6.998 -3.140 1.00 0.00 C ATOM 878 SG CYS A 61 -0.020 8.373 -4.002 1.00 0.00 S ATOM 0 H CYS A 61 -1.848 8.618 -1.488 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.801 7.297 -3.908 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.342 6.869 -2.167 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.644 6.081 -3.703 1.00 0.00 H new ATOM 0 HG CYS A 61 1.258 8.353 -3.763 1.00 0.00 H new ATOM 884 N GLU A 62 -3.374 4.996 -3.068 1.00 0.00 N ATOM 885 CA GLU A 62 -3.960 3.767 -2.546 1.00 0.00 C ATOM 886 C GLU A 62 -3.637 2.582 -3.453 1.00 0.00 C ATOM 887 O GLU A 62 -3.808 2.653 -4.671 1.00 0.00 O ATOM 888 CB GLU A 62 -5.476 3.918 -2.407 1.00 0.00 C ATOM 889 CG GLU A 62 -6.158 2.697 -1.813 1.00 0.00 C ATOM 890 CD GLU A 62 -7.567 2.990 -1.336 1.00 0.00 C ATOM 891 OE1 GLU A 62 -8.247 3.824 -1.968 1.00 0.00 O ATOM 892 OE2 GLU A 62 -7.990 2.384 -0.329 1.00 0.00 O ATOM 0 H GLU A 62 -3.359 5.057 -4.086 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.529 3.578 -1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.690 4.784 -1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.904 4.121 -3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.189 1.904 -2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.565 2.325 -0.977 1.00 0.00 H new ATOM 899 N LEU A 63 -3.169 1.495 -2.850 1.00 0.00 N ATOM 900 CA LEU A 63 -2.821 0.294 -3.602 1.00 0.00 C ATOM 901 C LEU A 63 -3.723 -0.873 -3.212 1.00 0.00 C ATOM 902 O LEU A 63 -3.981 -1.101 -2.031 1.00 0.00 O ATOM 903 CB LEU A 63 -1.357 -0.076 -3.361 1.00 0.00 C ATOM 904 CG LEU A 63 -0.977 -1.531 -3.639 1.00 0.00 C ATOM 905 CD1 LEU A 63 -0.825 -1.767 -5.134 1.00 0.00 C ATOM 906 CD2 LEU A 63 0.305 -1.897 -2.907 1.00 0.00 C ATOM 0 H LEU A 63 -3.022 1.420 -1.843 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.967 0.504 -4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.734 0.566 -3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.112 0.150 -2.323 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.778 -2.172 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.554 -2.808 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.768 -1.546 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.044 -1.117 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.560 -2.936 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.114 -1.250 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.161 -1.768 -1.834 1.00 0.00 H new ATOM 918 N GLN A 64 -4.197 -1.608 -4.213 1.00 0.00 N ATOM 919 CA GLN A 64 -5.068 -2.753 -3.973 1.00 0.00 C ATOM 920 C GLN A 64 -4.438 -4.037 -4.503 1.00 0.00 C ATOM 921 O GLN A 64 -4.022 -4.104 -5.660 1.00 0.00 O ATOM 922 CB GLN A 64 -6.431 -2.529 -4.632 1.00 0.00 C ATOM 923 CG GLN A 64 -7.384 -1.696 -3.791 1.00 0.00 C ATOM 924 CD GLN A 64 -8.159 -2.529 -2.789 1.00 0.00 C ATOM 925 OE1 GLN A 64 -7.660 -3.534 -2.282 1.00 0.00 O ATOM 926 NE2 GLN A 64 -9.387 -2.115 -2.498 1.00 0.00 N ATOM 0 H GLN A 64 -3.993 -1.431 -5.197 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.205 -2.855 -2.896 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.284 -2.037 -5.594 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.890 -3.496 -4.836 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.819 -0.929 -3.261 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -8.084 -1.179 -4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.761 -1.276 -2.942 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.956 -2.636 -1.831 1.00 0.00 H new ATOM 935 N ILE A 65 -4.371 -5.053 -3.649 1.00 0.00 N ATOM 936 CA ILE A 65 -3.793 -6.334 -4.032 1.00 0.00 C ATOM 937 C ILE A 65 -4.849 -7.435 -4.035 1.00 0.00 C ATOM 938 O ILE A 65 -5.244 -7.934 -2.981 1.00 0.00 O ATOM 939 CB ILE A 65 -2.647 -6.740 -3.086 1.00 0.00 C ATOM 940 CG1 ILE A 65 -1.719 -5.550 -2.834 1.00 0.00 C ATOM 941 CG2 ILE A 65 -1.870 -7.912 -3.667 1.00 0.00 C ATOM 942 CD1 ILE A 65 -0.986 -5.624 -1.513 1.00 0.00 C ATOM 0 H ILE A 65 -4.710 -5.013 -2.688 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.396 -6.212 -5.040 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.075 -7.051 -2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.990 -5.491 -3.642 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.304 -4.631 -2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.064 -8.187 -2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.539 -8.762 -3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.450 -7.628 -4.632 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.347 -4.748 -1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.708 -5.652 -0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.374 -6.525 -1.487 1.00 0.00 H new ATOM 954 N HIS A 66 -5.300 -7.811 -5.227 1.00 0.00 N ATOM 955 CA HIS A 66 -6.309 -8.855 -5.368 1.00 0.00 C ATOM 956 C HIS A 66 -5.707 -10.231 -5.102 1.00 0.00 C ATOM 957 O HIS A 66 -4.697 -10.604 -5.698 1.00 0.00 O ATOM 958 CB HIS A 66 -6.921 -8.816 -6.768 1.00 0.00 C ATOM 959 CG HIS A 66 -7.484 -7.478 -7.139 1.00 0.00 C ATOM 960 ND1 HIS A 66 -8.720 -7.038 -6.717 1.00 0.00 N ATOM 961 CD2 HIS A 66 -6.970 -6.481 -7.896 1.00 0.00 C ATOM 962 CE1 HIS A 66 -8.944 -5.829 -7.199 1.00 0.00 C ATOM 963 NE2 HIS A 66 -7.896 -5.467 -7.918 1.00 0.00 N ATOM 0 H HIS A 66 -4.983 -7.409 -6.109 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.092 -8.671 -4.632 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.160 -9.095 -7.496 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.712 -9.564 -6.831 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -9.362 -7.564 -6.124 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.010 -6.482 -8.391 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -9.832 -5.237 -7.034 1.00 0.00 H new ATOM 971 N GLY A 67 -6.334 -10.982 -4.201 1.00 0.00 N ATOM 972 CA GLY A 67 -5.845 -12.308 -3.871 1.00 0.00 C ATOM 973 C GLY A 67 -4.516 -12.271 -3.142 1.00 0.00 C ATOM 974 O GLY A 67 -3.471 -12.046 -3.753 1.00 0.00 O ATOM 0 H GLY A 67 -7.172 -10.696 -3.694 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.582 -12.820 -3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.738 -12.891 -4.786 1.00 0.00 H new ATOM 978 N LEU A 68 -4.555 -12.492 -1.833 1.00 0.00 N ATOM 979 CA LEU A 68 -3.344 -12.481 -1.019 1.00 0.00 C ATOM 980 C LEU A 68 -2.795 -13.893 -0.842 1.00 0.00 C ATOM 981 O LEU A 68 -3.501 -14.877 -1.061 1.00 0.00 O ATOM 982 CB LEU A 68 -3.630 -11.858 0.348 1.00 0.00 C ATOM 983 CG LEU A 68 -3.720 -10.332 0.384 1.00 0.00 C ATOM 984 CD1 LEU A 68 -4.473 -9.871 1.623 1.00 0.00 C ATOM 985 CD2 LEU A 68 -2.330 -9.714 0.342 1.00 0.00 C ATOM 0 H LEU A 68 -5.411 -12.681 -1.312 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.594 -11.881 -1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.569 -12.266 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.848 -12.172 1.039 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.270 -9.999 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.527 -8.782 1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.481 -10.284 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.951 -10.215 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.414 -8.628 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.754 -10.055 1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.825 -10.017 -0.575 1.00 0.00 H new ATOM 997 N ALA A 69 -1.531 -13.985 -0.442 1.00 0.00 N ATOM 998 CA ALA A 69 -0.888 -15.276 -0.231 1.00 0.00 C ATOM 999 C ALA A 69 0.342 -15.138 0.659 1.00 0.00 C ATOM 1000 O ALA A 69 0.665 -14.045 1.122 1.00 0.00 O ATOM 1001 CB ALA A 69 -0.509 -15.901 -1.566 1.00 0.00 C ATOM 0 H ALA A 69 -0.932 -13.180 -0.258 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.598 -15.930 0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.030 -16.865 -1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.406 -16.044 -2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.181 -15.242 -2.094 1.00 0.00 H new ATOM 1007 N MET A 70 1.023 -16.255 0.897 1.00 0.00 N ATOM 1008 CA MET A 70 2.218 -16.257 1.732 1.00 0.00 C ATOM 1009 C MET A 70 3.381 -15.574 1.020 1.00 0.00 C ATOM 1010 O MET A 70 4.294 -15.052 1.660 1.00 0.00 O ATOM 1011 CB MET A 70 2.604 -17.690 2.104 1.00 0.00 C ATOM 1012 CG MET A 70 1.597 -18.374 3.014 1.00 0.00 C ATOM 1013 SD MET A 70 1.830 -17.949 4.751 1.00 0.00 S ATOM 1014 CE MET A 70 0.313 -17.059 5.088 1.00 0.00 C ATOM 0 H MET A 70 0.767 -17.169 0.524 1.00 0.00 H new ATOM 0 HA MET A 70 1.995 -15.700 2.642 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.714 -18.276 1.192 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.577 -17.680 2.595 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.589 -18.095 2.708 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.680 -19.454 2.894 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.180 -16.962 6.165 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.365 -16.067 4.639 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.531 -17.605 4.665 1.00 0.00 H new ATOM 1024 N ALA A 71 3.342 -15.580 -0.309 1.00 0.00 N ATOM 1025 CA ALA A 71 4.391 -14.960 -1.107 1.00 0.00 C ATOM 1026 C ALA A 71 4.114 -13.475 -1.319 1.00 0.00 C ATOM 1027 O ALA A 71 5.003 -12.718 -1.709 1.00 0.00 O ATOM 1028 CB ALA A 71 4.525 -15.670 -2.446 1.00 0.00 C ATOM 0 H ALA A 71 2.594 -16.008 -0.855 1.00 0.00 H new ATOM 0 HA ALA A 71 5.331 -15.054 -0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.313 -15.196 -3.032 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.777 -16.717 -2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.581 -15.606 -2.988 1.00 0.00 H new ATOM 1034 N ASP A 72 2.877 -13.066 -1.060 1.00 0.00 N ATOM 1035 CA ASP A 72 2.484 -11.671 -1.222 1.00 0.00 C ATOM 1036 C ASP A 72 2.893 -10.846 -0.006 1.00 0.00 C ATOM 1037 O ASP A 72 3.171 -9.653 -0.118 1.00 0.00 O ATOM 1038 CB ASP A 72 0.973 -11.567 -1.439 1.00 0.00 C ATOM 1039 CG ASP A 72 0.520 -12.276 -2.700 1.00 0.00 C ATOM 1040 OD1 ASP A 72 0.389 -13.518 -2.668 1.00 0.00 O ATOM 1041 OD2 ASP A 72 0.297 -11.590 -3.720 1.00 0.00 O ATOM 0 H ASP A 72 2.129 -13.680 -0.737 1.00 0.00 H new ATOM 0 HA ASP A 72 2.998 -11.274 -2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.455 -11.993 -0.580 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.688 -10.516 -1.494 1.00 0.00 H new ATOM 1046 N ASN A 73 2.926 -11.491 1.156 1.00 0.00 N ATOM 1047 CA ASN A 73 3.300 -10.816 2.394 1.00 0.00 C ATOM 1048 C ASN A 73 4.784 -10.463 2.394 1.00 0.00 C ATOM 1049 O ASN A 73 5.513 -10.796 1.461 1.00 0.00 O ATOM 1050 CB ASN A 73 2.975 -11.701 3.599 1.00 0.00 C ATOM 1051 CG ASN A 73 3.845 -12.941 3.658 1.00 0.00 C ATOM 1052 OD1 ASN A 73 5.021 -12.906 3.294 1.00 0.00 O ATOM 1053 ND2 ASN A 73 3.269 -14.046 4.117 1.00 0.00 N ATOM 0 H ASN A 73 2.699 -12.479 1.266 1.00 0.00 H new ATOM 0 HA ASN A 73 2.725 -9.893 2.464 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.106 -11.125 4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.927 -11.998 3.556 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.804 -14.912 4.179 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.291 -14.029 4.408 1.00 0.00 H new ATOM 1060 N GLY A 74 5.226 -9.786 3.450 1.00 0.00 N ATOM 1061 CA GLY A 74 6.621 -9.398 3.553 1.00 0.00 C ATOM 1062 C GLY A 74 6.792 -7.926 3.867 1.00 0.00 C ATOM 1063 O GLY A 74 6.535 -7.489 4.989 1.00 0.00 O ATOM 0 H GLY A 74 4.643 -9.499 4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.103 -9.990 4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.129 -9.628 2.616 1.00 0.00 H new ATOM 1067 N VAL A 75 7.229 -7.157 2.875 1.00 0.00 N ATOM 1068 CA VAL A 75 7.436 -5.724 3.051 1.00 0.00 C ATOM 1069 C VAL A 75 7.265 -4.978 1.732 1.00 0.00 C ATOM 1070 O VAL A 75 7.895 -5.316 0.730 1.00 0.00 O ATOM 1071 CB VAL A 75 8.835 -5.425 3.620 1.00 0.00 C ATOM 1072 CG1 VAL A 75 9.912 -6.052 2.748 1.00 0.00 C ATOM 1073 CG2 VAL A 75 9.048 -3.924 3.748 1.00 0.00 C ATOM 0 H VAL A 75 7.447 -7.502 1.940 1.00 0.00 H new ATOM 0 HA VAL A 75 6.683 -5.380 3.760 1.00 0.00 H new ATOM 0 HB VAL A 75 8.905 -5.865 4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.894 -5.830 3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 75 9.769 -7.132 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 75 9.847 -5.644 1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.042 -3.731 4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.958 -3.459 2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.297 -3.506 4.418 1.00 0.00 H new ATOM 1083 N TYR A 76 6.409 -3.962 1.741 1.00 0.00 N ATOM 1084 CA TYR A 76 6.154 -3.168 0.545 1.00 0.00 C ATOM 1085 C TYR A 76 6.878 -1.828 0.616 1.00 0.00 C ATOM 1086 O TYR A 76 7.199 -1.339 1.699 1.00 0.00 O ATOM 1087 CB TYR A 76 4.651 -2.940 0.370 1.00 0.00 C ATOM 1088 CG TYR A 76 3.877 -4.206 0.080 1.00 0.00 C ATOM 1089 CD1 TYR A 76 3.849 -5.252 0.994 1.00 0.00 C ATOM 1090 CD2 TYR A 76 3.173 -4.356 -1.109 1.00 0.00 C ATOM 1091 CE1 TYR A 76 3.143 -6.410 0.733 1.00 0.00 C ATOM 1092 CE2 TYR A 76 2.463 -5.510 -1.378 1.00 0.00 C ATOM 1093 CZ TYR A 76 2.451 -6.534 -0.454 1.00 0.00 C ATOM 1094 OH TYR A 76 1.747 -7.686 -0.719 1.00 0.00 O ATOM 0 H TYR A 76 5.880 -3.669 2.563 1.00 0.00 H new ATOM 0 HA TYR A 76 6.534 -3.720 -0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.254 -2.480 1.275 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.492 -2.232 -0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.389 -5.158 1.925 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.181 -3.557 -1.835 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.133 -7.214 1.454 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.920 -5.610 -2.306 1.00 0.00 H new ATOM 0 HH TYR A 76 2.073 -8.408 -0.142 1.00 0.00 H new ATOM 1104 N SER A 77 7.132 -1.237 -0.548 1.00 0.00 N ATOM 1105 CA SER A 77 7.821 0.046 -0.620 1.00 0.00 C ATOM 1106 C SER A 77 7.155 0.963 -1.641 1.00 0.00 C ATOM 1107 O SER A 77 6.589 0.500 -2.632 1.00 0.00 O ATOM 1108 CB SER A 77 9.292 -0.161 -0.986 1.00 0.00 C ATOM 1109 OG SER A 77 9.904 -1.107 -0.127 1.00 0.00 O ATOM 0 H SER A 77 6.871 -1.627 -1.454 1.00 0.00 H new ATOM 0 HA SER A 77 7.761 0.519 0.360 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.368 -0.501 -2.019 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.823 0.789 -0.923 1.00 0.00 H new ATOM 0 HG SER A 77 10.843 -1.222 -0.383 1.00 0.00 H new ATOM 1115 N CYS A 78 7.228 2.266 -1.392 1.00 0.00 N ATOM 1116 CA CYS A 78 6.632 3.250 -2.288 1.00 0.00 C ATOM 1117 C CYS A 78 7.562 4.444 -2.481 1.00 0.00 C ATOM 1118 O CYS A 78 7.791 5.222 -1.554 1.00 0.00 O ATOM 1119 CB CYS A 78 5.285 3.722 -1.738 1.00 0.00 C ATOM 1120 SG CYS A 78 4.443 4.932 -2.785 1.00 0.00 S ATOM 0 H CYS A 78 7.694 2.665 -0.577 1.00 0.00 H new ATOM 0 HA CYS A 78 6.475 2.774 -3.256 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.635 2.857 -1.606 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.440 4.157 -0.751 1.00 0.00 H new ATOM 0 HG CYS A 78 3.313 5.268 -2.237 1.00 0.00 H new ATOM 1126 N VAL A 79 8.097 4.582 -3.690 1.00 0.00 N ATOM 1127 CA VAL A 79 9.003 5.680 -4.004 1.00 0.00 C ATOM 1128 C VAL A 79 8.272 6.805 -4.729 1.00 0.00 C ATOM 1129 O VAL A 79 7.661 6.588 -5.776 1.00 0.00 O ATOM 1130 CB VAL A 79 10.181 5.204 -4.875 1.00 0.00 C ATOM 1131 CG1 VAL A 79 11.228 6.300 -5.001 1.00 0.00 C ATOM 1132 CG2 VAL A 79 10.791 3.936 -4.297 1.00 0.00 C ATOM 0 H VAL A 79 7.919 3.947 -4.468 1.00 0.00 H new ATOM 0 HA VAL A 79 9.389 6.053 -3.055 1.00 0.00 H new ATOM 0 HB VAL A 79 9.805 4.977 -5.873 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.053 5.946 -5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.780 7.180 -5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.603 6.561 -4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.622 3.613 -4.924 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.153 4.134 -3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.035 3.151 -4.264 1.00 0.00 H new ATOM 1142 N CYS A 80 8.340 8.006 -4.165 1.00 0.00 N ATOM 1143 CA CYS A 80 7.684 9.166 -4.757 1.00 0.00 C ATOM 1144 C CYS A 80 8.705 10.096 -5.406 1.00 0.00 C ATOM 1145 O CYS A 80 8.400 10.790 -6.374 1.00 0.00 O ATOM 1146 CB CYS A 80 6.888 9.925 -3.695 1.00 0.00 C ATOM 1147 SG CYS A 80 6.468 11.622 -4.159 1.00 0.00 S ATOM 0 H CYS A 80 8.842 8.202 -3.299 1.00 0.00 H new ATOM 0 HA CYS A 80 7.000 8.811 -5.528 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.968 9.379 -3.486 1.00 0.00 H new ATOM 0 HB3 CYS A 80 7.464 9.945 -2.770 1.00 0.00 H new ATOM 0 HG CYS A 80 7.083 11.936 -5.260 1.00 0.00 H new ATOM 1153 N GLY A 81 9.919 10.104 -4.863 1.00 0.00 N ATOM 1154 CA GLY A 81 10.966 10.953 -5.400 1.00 0.00 C ATOM 1155 C GLY A 81 12.250 10.868 -4.599 1.00 0.00 C ATOM 1156 O GLY A 81 13.039 9.941 -4.778 1.00 0.00 O ATOM 0 H GLY A 81 10.196 9.538 -4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.166 10.668 -6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.619 11.986 -5.416 1.00 0.00 H new ATOM 1160 N GLN A 82 12.459 11.838 -3.715 1.00 0.00 N ATOM 1161 CA GLN A 82 13.658 11.869 -2.886 1.00 0.00 C ATOM 1162 C GLN A 82 13.485 10.998 -1.647 1.00 0.00 C ATOM 1163 O GLN A 82 14.450 10.426 -1.140 1.00 0.00 O ATOM 1164 CB GLN A 82 13.980 13.306 -2.472 1.00 0.00 C ATOM 1165 CG GLN A 82 15.390 13.483 -1.933 1.00 0.00 C ATOM 1166 CD GLN A 82 15.734 14.934 -1.660 1.00 0.00 C ATOM 1167 OE1 GLN A 82 14.858 15.744 -1.355 1.00 0.00 O ATOM 1168 NE2 GLN A 82 17.014 15.270 -1.768 1.00 0.00 N ATOM 0 H GLN A 82 11.814 12.612 -3.554 1.00 0.00 H new ATOM 0 HA GLN A 82 14.486 11.473 -3.474 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.844 13.962 -3.332 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.267 13.625 -1.712 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.497 12.909 -1.013 1.00 0.00 H new ATOM 0 HG3 GLN A 82 16.102 13.073 -2.649 1.00 0.00 H new ATOM 0 HE21 GLN A 82 17.706 14.566 -2.023 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.305 16.232 -1.596 1.00 0.00 H new ATOM 1177 N GLU A 83 12.250 10.902 -1.164 1.00 0.00 N ATOM 1178 CA GLU A 83 11.953 10.100 0.017 1.00 0.00 C ATOM 1179 C GLU A 83 11.446 8.716 -0.378 1.00 0.00 C ATOM 1180 O GLU A 83 11.047 8.493 -1.521 1.00 0.00 O ATOM 1181 CB GLU A 83 10.914 10.806 0.892 1.00 0.00 C ATOM 1182 CG GLU A 83 11.396 12.130 1.461 1.00 0.00 C ATOM 1183 CD GLU A 83 11.332 13.257 0.449 1.00 0.00 C ATOM 1184 OE1 GLU A 83 10.647 13.092 -0.582 1.00 0.00 O ATOM 1185 OE2 GLU A 83 11.967 14.305 0.689 1.00 0.00 O ATOM 0 H GLU A 83 11.440 11.369 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 83 12.876 9.981 0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.013 10.980 0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.635 10.147 1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.790 12.391 2.329 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.422 12.019 1.811 1.00 0.00 H new ATOM 1192 N ARG A 84 11.464 7.791 0.576 1.00 0.00 N ATOM 1193 CA ARG A 84 11.008 6.428 0.328 1.00 0.00 C ATOM 1194 C ARG A 84 10.538 5.769 1.621 1.00 0.00 C ATOM 1195 O ARG A 84 11.298 5.649 2.582 1.00 0.00 O ATOM 1196 CB ARG A 84 12.129 5.599 -0.302 1.00 0.00 C ATOM 1197 CG ARG A 84 12.037 4.114 0.009 1.00 0.00 C ATOM 1198 CD ARG A 84 13.032 3.310 -0.812 1.00 0.00 C ATOM 1199 NE ARG A 84 13.247 3.891 -2.135 1.00 0.00 N ATOM 1200 CZ ARG A 84 14.112 4.870 -2.376 1.00 0.00 C ATOM 1201 NH1 ARG A 84 14.839 5.375 -1.389 1.00 0.00 N ATOM 1202 NH2 ARG A 84 14.250 5.347 -3.606 1.00 0.00 N ATOM 0 H ARG A 84 11.789 7.960 1.528 1.00 0.00 H new ATOM 0 HA ARG A 84 10.167 6.473 -0.363 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.108 5.737 -1.383 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.090 5.976 0.049 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.224 3.951 1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.026 3.761 -0.194 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.982 3.258 -0.280 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.670 2.287 -0.920 1.00 0.00 H new ATOM 0 HE ARG A 84 12.703 3.525 -2.916 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.735 5.012 -0.442 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.502 6.127 -1.577 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.692 4.962 -4.368 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.914 6.099 -3.790 1.00 0.00 H new ATOM 1216 N THR A 85 9.278 5.343 1.637 1.00 0.00 N ATOM 1217 CA THR A 85 8.705 4.697 2.812 1.00 0.00 C ATOM 1218 C THR A 85 8.387 3.233 2.533 1.00 0.00 C ATOM 1219 O THR A 85 8.273 2.821 1.379 1.00 0.00 O ATOM 1220 CB THR A 85 7.422 5.411 3.275 1.00 0.00 C ATOM 1221 OG1 THR A 85 6.986 4.871 4.528 1.00 0.00 O ATOM 1222 CG2 THR A 85 6.316 5.262 2.241 1.00 0.00 C ATOM 0 H THR A 85 8.636 5.434 0.850 1.00 0.00 H new ATOM 0 HA THR A 85 9.452 4.759 3.604 1.00 0.00 H new ATOM 0 HB THR A 85 7.646 6.471 3.394 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.522 5.566 5.040 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.420 5.775 2.590 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.639 5.700 1.297 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.095 4.205 2.094 1.00 0.00 H new ATOM 1230 N SER A 86 8.243 2.450 3.598 1.00 0.00 N ATOM 1231 CA SER A 86 7.940 1.030 3.468 1.00 0.00 C ATOM 1232 C SER A 86 6.942 0.587 4.534 1.00 0.00 C ATOM 1233 O SER A 86 6.602 1.351 5.436 1.00 0.00 O ATOM 1234 CB SER A 86 9.222 0.201 3.577 1.00 0.00 C ATOM 1235 OG SER A 86 10.174 0.604 2.608 1.00 0.00 O ATOM 0 H SER A 86 8.331 2.776 4.561 1.00 0.00 H new ATOM 0 HA SER A 86 7.493 0.868 2.487 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.646 0.311 4.575 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.988 -0.855 3.444 1.00 0.00 H new ATOM 0 HG SER A 86 10.084 0.044 1.809 1.00 0.00 H new ATOM 1241 N ALA A 87 6.477 -0.653 4.421 1.00 0.00 N ATOM 1242 CA ALA A 87 5.520 -1.199 5.375 1.00 0.00 C ATOM 1243 C ALA A 87 5.639 -2.717 5.464 1.00 0.00 C ATOM 1244 O ALA A 87 6.331 -3.344 4.662 1.00 0.00 O ATOM 1245 CB ALA A 87 4.104 -0.800 4.989 1.00 0.00 C ATOM 0 H ALA A 87 6.748 -1.298 3.679 1.00 0.00 H new ATOM 0 HA ALA A 87 5.747 -0.785 6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.400 -1.215 5.710 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.021 0.287 4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.875 -1.186 3.996 1.00 0.00 H new ATOM 1251 N THR A 88 4.960 -3.303 6.446 1.00 0.00 N ATOM 1252 CA THR A 88 4.991 -4.747 6.641 1.00 0.00 C ATOM 1253 C THR A 88 3.588 -5.339 6.585 1.00 0.00 C ATOM 1254 O THR A 88 2.712 -4.963 7.365 1.00 0.00 O ATOM 1255 CB THR A 88 5.639 -5.118 7.988 1.00 0.00 C ATOM 1256 OG1 THR A 88 6.888 -4.433 8.135 1.00 0.00 O ATOM 1257 CG2 THR A 88 5.864 -6.619 8.085 1.00 0.00 C ATOM 0 H THR A 88 4.382 -2.799 7.119 1.00 0.00 H new ATOM 0 HA THR A 88 5.591 -5.163 5.831 1.00 0.00 H new ATOM 0 HB THR A 88 4.962 -4.816 8.787 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.293 -4.673 8.995 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.323 -6.857 9.045 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.908 -7.136 8.001 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.523 -6.941 7.278 1.00 0.00 H new ATOM 1265 N LEU A 89 3.379 -6.268 5.658 1.00 0.00 N ATOM 1266 CA LEU A 89 2.081 -6.914 5.501 1.00 0.00 C ATOM 1267 C LEU A 89 2.126 -8.356 5.997 1.00 0.00 C ATOM 1268 O LEU A 89 2.940 -9.158 5.537 1.00 0.00 O ATOM 1269 CB LEU A 89 1.647 -6.881 4.034 1.00 0.00 C ATOM 1270 CG LEU A 89 0.213 -7.327 3.748 1.00 0.00 C ATOM 1271 CD1 LEU A 89 -0.778 -6.452 4.501 1.00 0.00 C ATOM 1272 CD2 LEU A 89 -0.069 -7.291 2.253 1.00 0.00 C ATOM 0 H LEU A 89 4.092 -6.590 5.004 1.00 0.00 H new ATOM 0 HA LEU A 89 1.355 -6.365 6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.771 -5.864 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.324 -7.514 3.461 1.00 0.00 H new ATOM 0 HG LEU A 89 0.096 -8.354 4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.794 -6.784 4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.591 -6.529 5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.661 -5.415 4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.094 -7.612 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.066 -6.275 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.619 -7.960 1.737 1.00 0.00 H new ATOM 1284 N THR A 90 1.246 -8.680 6.939 1.00 0.00 N ATOM 1285 CA THR A 90 1.184 -10.024 7.498 1.00 0.00 C ATOM 1286 C THR A 90 -0.033 -10.781 6.978 1.00 0.00 C ATOM 1287 O THR A 90 -1.155 -10.561 7.434 1.00 0.00 O ATOM 1288 CB THR A 90 1.135 -9.992 9.037 1.00 0.00 C ATOM 1289 OG1 THR A 90 2.375 -9.499 9.556 1.00 0.00 O ATOM 1290 CG2 THR A 90 0.860 -11.378 9.599 1.00 0.00 C ATOM 0 H THR A 90 0.566 -8.029 7.331 1.00 0.00 H new ATOM 0 HA THR A 90 2.091 -10.539 7.182 1.00 0.00 H new ATOM 0 HB THR A 90 0.325 -9.328 9.339 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.335 -9.480 10.535 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.830 -11.330 10.688 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.098 -11.739 9.225 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.651 -12.060 9.288 1.00 0.00 H new ATOM 1298 N VAL A 91 0.195 -11.674 6.020 1.00 0.00 N ATOM 1299 CA VAL A 91 -0.883 -12.464 5.439 1.00 0.00 C ATOM 1300 C VAL A 91 -1.109 -13.749 6.228 1.00 0.00 C ATOM 1301 O VAL A 91 -0.206 -14.575 6.360 1.00 0.00 O ATOM 1302 CB VAL A 91 -0.588 -12.822 3.970 1.00 0.00 C ATOM 1303 CG1 VAL A 91 -1.599 -13.835 3.453 1.00 0.00 C ATOM 1304 CG2 VAL A 91 -0.588 -11.569 3.107 1.00 0.00 C ATOM 0 H VAL A 91 1.117 -11.868 5.630 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.783 -11.851 5.482 1.00 0.00 H new ATOM 0 HB VAL A 91 0.403 -13.274 3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.374 -14.075 2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.546 -14.742 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.602 -13.414 3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.378 -11.840 2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.564 -11.087 3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.178 -10.881 3.465 1.00 0.00 H new ATOM 1314 N ARG A 92 -2.321 -13.911 6.749 1.00 0.00 N ATOM 1315 CA ARG A 92 -2.666 -15.095 7.526 1.00 0.00 C ATOM 1316 C ARG A 92 -3.144 -16.222 6.616 1.00 0.00 C ATOM 1317 O ARG A 92 -3.851 -15.985 5.637 1.00 0.00 O ATOM 1318 CB ARG A 92 -3.749 -14.760 8.553 1.00 0.00 C ATOM 1319 CG ARG A 92 -3.254 -13.894 9.700 1.00 0.00 C ATOM 1320 CD ARG A 92 -2.715 -14.740 10.844 1.00 0.00 C ATOM 1321 NE ARG A 92 -1.353 -15.200 10.590 1.00 0.00 N ATOM 1322 CZ ARG A 92 -0.713 -16.066 11.368 1.00 0.00 C ATOM 1323 NH1 ARG A 92 -1.308 -16.562 12.443 1.00 0.00 N ATOM 1324 NH2 ARG A 92 0.526 -16.437 11.071 1.00 0.00 N ATOM 0 H ARG A 92 -3.080 -13.237 6.647 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.770 -15.429 8.049 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.569 -14.248 8.050 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.153 -15.688 8.958 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.472 -13.225 9.341 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.069 -13.267 10.062 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.735 -14.158 11.766 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.366 -15.601 10.996 1.00 0.00 H new ATOM 0 HE ARG A 92 -0.866 -14.837 9.771 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.260 -16.279 12.675 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -0.814 -17.227 13.038 1.00 0.00 H new ATOM 0 HH21 ARG A 92 0.988 -16.057 10.245 1.00 0.00 H new ATOM 0 HH22 ARG A 92 1.016 -17.102 11.669 1.00 0.00 H new ATOM 1338 N ALA A 93 -2.753 -17.449 6.946 1.00 0.00 N ATOM 1339 CA ALA A 93 -3.143 -18.612 6.159 1.00 0.00 C ATOM 1340 C ALA A 93 -4.514 -19.129 6.585 1.00 0.00 C ATOM 1341 O ALA A 93 -4.822 -19.192 7.776 1.00 0.00 O ATOM 1342 CB ALA A 93 -2.099 -19.711 6.289 1.00 0.00 C ATOM 0 H ALA A 93 -2.167 -17.663 7.753 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.207 -18.308 5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.403 -20.574 5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.138 -19.344 5.929 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.007 -20.004 7.335 1.00 0.00 H new ATOM 1348 N LEU A 94 -5.332 -19.496 5.606 1.00 0.00 N ATOM 1349 CA LEU A 94 -6.671 -20.007 5.879 1.00 0.00 C ATOM 1350 C LEU A 94 -6.613 -21.442 6.392 1.00 0.00 C ATOM 1351 O LEU A 94 -5.781 -22.245 5.968 1.00 0.00 O ATOM 1352 CB LEU A 94 -7.532 -19.939 4.616 1.00 0.00 C ATOM 1353 CG LEU A 94 -7.959 -18.540 4.170 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -8.231 -18.518 2.674 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -9.188 -18.085 4.944 1.00 0.00 C ATOM 0 H LEU A 94 -5.092 -19.450 4.616 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.120 -19.383 6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.982 -20.407 3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.429 -20.536 4.779 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.144 -17.847 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.534 -17.515 2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.326 -18.800 2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.028 -19.223 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.477 -17.087 4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.009 -18.779 4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.959 -18.062 6.009 1.00 0.00 H new