USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 33 GLN : amide:sc= -1.45 X(o=-1.4,f=-1.6!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -154:sc= 0 (180deg=0) USER MOD Set 2.1: A 59 LYS NZ :NH3+ 180:sc= -2.63! (180deg=-2.78!) USER MOD Set 2.2: A 63 TYR OH : rot 30:sc= -0.771! USER MOD Set 3.1: A 8 LYS NZ :NH3+ -173:sc= 0.388 (180deg=0) USER MOD Set 3.2: A 38 TYR OH : rot 180:sc= 0.358 USER MOD Single : A 4 SER OG : rot 31:sc= 0.302 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00718 USER MOD Single : A 7 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD Single : A 14 THR OG1 : rot 83:sc= 0.629 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -21:sc= 0.454 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.68) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0557 USER MOD Single : A 32 TYR OH : rot 180:sc= -1.53 USER MOD Single : A 34 HIS : no HE2:sc= 0.312 K(o=0.31,f=-1.1) USER MOD Single : A 41 HIS : no HD1:sc= -0.0354 K(o=-0.035,f=-0.86) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.152) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.118) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 60 CYS SG : rot 68:sc= -2.44 USER MOD Single : A 62 GLN : amide:sc= -0.939 X(o=-0.94,f=-0.53) USER MOD Single : A 69 LYS NZ :NH3+ -147:sc= -2.21 (180deg=-4.94!) USER MOD Single : A 73 TYR OH : rot -17:sc= -2.16! USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 4 14.887 -9.846 -0.445 1.00 1.00 N ATOM 16 CA SER A 4 15.275 -8.632 0.261 1.00 1.00 C ATOM 17 C SER A 4 14.039 -7.903 0.769 1.00 1.00 C ATOM 18 O SER A 4 12.946 -8.059 0.225 1.00 1.00 O ATOM 19 CB SER A 4 16.070 -7.716 -0.666 1.00 1.00 C ATOM 20 OG SER A 4 17.076 -8.477 -1.322 1.00 1.00 O ATOM 0 HA SER A 4 15.900 -8.907 1.111 1.00 1.00 H new ATOM 0 HB2 SER A 4 15.407 -7.257 -1.400 1.00 1.00 H new ATOM 0 HB3 SER A 4 16.524 -6.906 -0.095 1.00 1.00 H new ATOM 0 HG SER A 4 16.765 -9.399 -1.438 1.00 1.00 H new ATOM 26 N THR A 5 14.216 -7.118 1.823 1.00 1.00 N ATOM 27 CA THR A 5 13.099 -6.387 2.402 1.00 1.00 C ATOM 28 C THR A 5 12.509 -5.428 1.377 1.00 1.00 C ATOM 29 O THR A 5 11.290 -5.346 1.220 1.00 1.00 O ATOM 30 CB THR A 5 13.572 -5.579 3.616 1.00 1.00 C ATOM 31 OG1 THR A 5 14.421 -6.386 4.418 1.00 1.00 O ATOM 32 CG2 THR A 5 12.367 -5.145 4.452 1.00 1.00 C ATOM 0 H THR A 5 15.111 -6.972 2.289 1.00 1.00 H new ATOM 0 HA THR A 5 12.341 -7.107 2.709 1.00 1.00 H new ATOM 0 HB THR A 5 14.113 -4.698 3.269 1.00 1.00 H new ATOM 0 HG1 THR A 5 14.726 -5.870 5.194 1.00 1.00 H new ATOM 0 HG21 THR A 5 12.709 -4.571 5.313 1.00 1.00 H new ATOM 0 HG22 THR A 5 11.706 -4.527 3.844 1.00 1.00 H new ATOM 0 HG23 THR A 5 11.826 -6.027 4.795 1.00 1.00 H new ATOM 40 N LEU A 6 13.378 -4.694 0.684 1.00 1.00 N ATOM 41 CA LEU A 6 12.920 -3.737 -0.311 1.00 1.00 C ATOM 42 C LEU A 6 12.280 -4.456 -1.495 1.00 1.00 C ATOM 43 O LEU A 6 11.224 -4.059 -1.984 1.00 1.00 O ATOM 44 CB LEU A 6 14.118 -2.895 -0.797 1.00 1.00 C ATOM 45 CG LEU A 6 13.663 -1.483 -1.214 1.00 1.00 C ATOM 46 CD1 LEU A 6 12.514 -1.578 -2.220 1.00 1.00 C ATOM 47 CD2 LEU A 6 13.208 -0.681 0.026 1.00 1.00 C ATOM 0 H LEU A 6 14.391 -4.745 0.794 1.00 1.00 H new ATOM 0 HA LEU A 6 12.171 -3.087 0.142 1.00 1.00 H new ATOM 0 HB2 LEU A 6 14.862 -2.822 -0.004 1.00 1.00 H new ATOM 0 HB3 LEU A 6 14.598 -3.391 -1.641 1.00 1.00 H new ATOM 0 HG LEU A 6 14.503 -0.968 -1.680 1.00 1.00 H new ATOM 0 HD11 LEU A 6 12.199 -0.575 -2.509 1.00 1.00 H new ATOM 0 HD12 LEU A 6 12.848 -2.122 -3.104 1.00 1.00 H new ATOM 0 HD13 LEU A 6 11.675 -2.105 -1.765 1.00 1.00 H new ATOM 0 HD21 LEU A 6 12.889 0.315 -0.282 1.00 1.00 H new ATOM 0 HD22 LEU A 6 12.377 -1.196 0.507 1.00 1.00 H new ATOM 0 HD23 LEU A 6 14.037 -0.595 0.728 1.00 1.00 H new ATOM 59 N GLN A 7 12.937 -5.509 -1.962 1.00 1.00 N ATOM 60 CA GLN A 7 12.426 -6.251 -3.100 1.00 1.00 C ATOM 61 C GLN A 7 11.030 -6.769 -2.810 1.00 1.00 C ATOM 62 O GLN A 7 10.132 -6.665 -3.647 1.00 1.00 O ATOM 63 CB GLN A 7 13.367 -7.417 -3.428 1.00 1.00 C ATOM 64 CG GLN A 7 12.846 -8.188 -4.647 1.00 1.00 C ATOM 65 CD GLN A 7 12.780 -7.269 -5.862 1.00 1.00 C ATOM 66 OE1 GLN A 7 13.812 -6.830 -6.366 1.00 1.00 O ATOM 67 NE2 GLN A 7 11.616 -6.940 -6.351 1.00 1.00 N ATOM 0 H GLN A 7 13.812 -5.863 -1.575 1.00 1.00 H new ATOM 0 HA GLN A 7 12.375 -5.584 -3.960 1.00 1.00 H new ATOM 0 HB2 GLN A 7 14.370 -7.040 -3.628 1.00 1.00 H new ATOM 0 HB3 GLN A 7 13.443 -8.085 -2.570 1.00 1.00 H new ATOM 0 HG2 GLN A 7 13.499 -9.035 -4.857 1.00 1.00 H new ATOM 0 HG3 GLN A 7 11.857 -8.594 -4.434 1.00 1.00 H new ATOM 0 HE21 GLN A 7 10.763 -7.307 -5.929 1.00 1.00 H new ATOM 0 HE22 GLN A 7 11.559 -6.316 -7.156 1.00 1.00 H new ATOM 76 N LYS A 8 10.848 -7.326 -1.625 1.00 1.00 N ATOM 77 CA LYS A 8 9.549 -7.854 -1.247 1.00 1.00 C ATOM 78 C LYS A 8 8.524 -6.729 -1.166 1.00 1.00 C ATOM 79 O LYS A 8 7.387 -6.876 -1.615 1.00 1.00 O ATOM 80 CB LYS A 8 9.642 -8.565 0.106 1.00 1.00 C ATOM 81 CG LYS A 8 8.535 -9.620 0.219 1.00 1.00 C ATOM 82 CD LYS A 8 8.717 -10.400 1.513 1.00 1.00 C ATOM 83 CE LYS A 8 7.653 -11.490 1.609 1.00 1.00 C ATOM 84 NZ LYS A 8 7.849 -12.270 2.867 1.00 1.00 N ATOM 0 H LYS A 8 11.574 -7.424 -0.915 1.00 1.00 H new ATOM 0 HA LYS A 8 9.232 -8.569 -2.006 1.00 1.00 H new ATOM 0 HB2 LYS A 8 10.619 -9.037 0.212 1.00 1.00 H new ATOM 0 HB3 LYS A 8 9.549 -7.840 0.915 1.00 1.00 H new ATOM 0 HG2 LYS A 8 7.556 -9.140 0.204 1.00 1.00 H new ATOM 0 HG3 LYS A 8 8.572 -10.296 -0.635 1.00 1.00 H new ATOM 0 HD2 LYS A 8 9.712 -10.845 1.544 1.00 1.00 H new ATOM 0 HD3 LYS A 8 8.642 -9.728 2.368 1.00 1.00 H new ATOM 0 HE2 LYS A 8 6.659 -11.044 1.597 1.00 1.00 H new ATOM 0 HE3 LYS A 8 7.716 -12.152 0.745 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 7.202 -13.084 2.875 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 8.831 -12.608 2.916 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 7.651 -11.662 3.687 1.00 1.00 H new ATOM 98 N ALA A 9 8.932 -5.606 -0.584 1.00 1.00 N ATOM 99 CA ALA A 9 8.032 -4.473 -0.448 1.00 1.00 C ATOM 100 C ALA A 9 7.510 -4.057 -1.823 1.00 1.00 C ATOM 101 O ALA A 9 6.315 -3.815 -2.000 1.00 1.00 O ATOM 102 CB ALA A 9 8.773 -3.304 0.221 1.00 1.00 C ATOM 0 H ALA A 9 9.867 -5.459 -0.205 1.00 1.00 H new ATOM 0 HA ALA A 9 7.184 -4.756 0.175 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.097 -2.455 0.322 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.121 -3.611 1.207 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.627 -3.016 -0.392 1.00 1.00 H new ATOM 108 N ILE A 10 8.416 -4.000 -2.795 1.00 1.00 N ATOM 109 CA ILE A 10 8.040 -3.635 -4.158 1.00 1.00 C ATOM 110 C ILE A 10 7.103 -4.695 -4.736 1.00 1.00 C ATOM 111 O ILE A 10 6.151 -4.403 -5.443 1.00 1.00 O ATOM 112 CB ILE A 10 9.281 -3.473 -5.044 1.00 1.00 C ATOM 113 CG1 ILE A 10 10.078 -2.255 -4.576 1.00 1.00 C ATOM 114 CG2 ILE A 10 8.841 -3.248 -6.492 1.00 1.00 C ATOM 115 CD1 ILE A 10 11.445 -2.229 -5.271 1.00 1.00 C ATOM 0 H ILE A 10 9.408 -4.200 -2.667 1.00 1.00 H new ATOM 0 HA ILE A 10 7.521 -2.677 -4.132 1.00 1.00 H new ATOM 0 HB ILE A 10 9.897 -4.370 -4.977 1.00 1.00 H new ATOM 0 HG12 ILE A 10 9.528 -1.341 -4.801 1.00 1.00 H new ATOM 0 HG13 ILE A 10 10.210 -2.289 -3.495 1.00 1.00 H new ATOM 0 HG21 ILE A 10 9.720 -3.132 -7.126 1.00 1.00 H new ATOM 0 HG22 ILE A 10 8.259 -4.104 -6.832 1.00 1.00 H new ATOM 0 HG23 ILE A 10 8.230 -2.347 -6.551 1.00 1.00 H new ATOM 0 HD11 ILE A 10 12.008 -1.359 -4.934 1.00 1.00 H new ATOM 0 HD12 ILE A 10 11.996 -3.136 -5.024 1.00 1.00 H new ATOM 0 HD13 ILE A 10 11.303 -2.173 -6.350 1.00 1.00 H new ATOM 127 N ASP A 11 7.409 -5.941 -4.488 1.00 1.00 N ATOM 128 CA ASP A 11 6.586 -7.003 -5.025 1.00 1.00 C ATOM 129 C ASP A 11 5.146 -6.876 -4.528 1.00 1.00 C ATOM 130 O ASP A 11 4.194 -6.971 -5.314 1.00 1.00 O ATOM 131 CB ASP A 11 7.167 -8.336 -4.591 1.00 1.00 C ATOM 132 CG ASP A 11 6.570 -9.466 -5.419 1.00 1.00 C ATOM 133 OD1 ASP A 11 5.504 -9.266 -5.976 1.00 1.00 O ATOM 134 OD2 ASP A 11 7.190 -10.510 -5.484 1.00 1.00 O ATOM 0 H ASP A 11 8.206 -6.247 -3.929 1.00 1.00 H new ATOM 0 HA ASP A 11 6.575 -6.935 -6.113 1.00 1.00 H new ATOM 0 HB2 ASP A 11 8.251 -8.324 -4.708 1.00 1.00 H new ATOM 0 HB3 ASP A 11 6.962 -8.503 -3.534 1.00 1.00 H new ATOM 139 N LEU A 12 4.989 -6.676 -3.221 1.00 1.00 N ATOM 140 CA LEU A 12 3.669 -6.561 -2.613 1.00 1.00 C ATOM 141 C LEU A 12 2.916 -5.347 -3.140 1.00 1.00 C ATOM 142 O LEU A 12 1.722 -5.426 -3.427 1.00 1.00 O ATOM 143 CB LEU A 12 3.828 -6.414 -1.097 1.00 1.00 C ATOM 144 CG LEU A 12 4.490 -7.666 -0.501 1.00 1.00 C ATOM 145 CD1 LEU A 12 4.998 -7.343 0.907 1.00 1.00 C ATOM 146 CD2 LEU A 12 3.486 -8.829 -0.431 1.00 1.00 C ATOM 0 H LEU A 12 5.763 -6.590 -2.563 1.00 1.00 H new ATOM 0 HA LEU A 12 3.102 -7.458 -2.863 1.00 1.00 H new ATOM 0 HB2 LEU A 12 4.432 -5.535 -0.872 1.00 1.00 H new ATOM 0 HB3 LEU A 12 2.852 -6.257 -0.637 1.00 1.00 H new ATOM 0 HG LEU A 12 5.322 -7.964 -1.139 1.00 1.00 H new ATOM 0 HD11 LEU A 12 5.469 -8.228 1.336 1.00 1.00 H new ATOM 0 HD12 LEU A 12 5.726 -6.534 0.854 1.00 1.00 H new ATOM 0 HD13 LEU A 12 4.161 -7.038 1.535 1.00 1.00 H new ATOM 0 HD21 LEU A 12 3.974 -9.706 -0.006 1.00 1.00 H new ATOM 0 HD22 LEU A 12 2.642 -8.544 0.197 1.00 1.00 H new ATOM 0 HD23 LEU A 12 3.129 -9.063 -1.434 1.00 1.00 H new ATOM 158 N VAL A 13 3.613 -4.225 -3.265 1.00 1.00 N ATOM 159 CA VAL A 13 2.972 -3.013 -3.757 1.00 1.00 C ATOM 160 C VAL A 13 2.583 -3.171 -5.227 1.00 1.00 C ATOM 161 O VAL A 13 1.518 -2.720 -5.648 1.00 1.00 O ATOM 162 CB VAL A 13 3.891 -1.794 -3.562 1.00 1.00 C ATOM 163 CG1 VAL A 13 4.916 -1.718 -4.684 1.00 1.00 C ATOM 164 CG2 VAL A 13 3.071 -0.508 -3.564 1.00 1.00 C ATOM 0 H VAL A 13 4.603 -4.129 -3.038 1.00 1.00 H new ATOM 0 HA VAL A 13 2.063 -2.847 -3.180 1.00 1.00 H new ATOM 0 HB VAL A 13 4.401 -1.906 -2.605 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.558 -0.851 -4.532 1.00 1.00 H new ATOM 0 HG12 VAL A 13 5.523 -2.623 -4.684 1.00 1.00 H new ATOM 0 HG13 VAL A 13 4.402 -1.625 -5.641 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.734 0.346 -3.425 1.00 1.00 H new ATOM 0 HG22 VAL A 13 2.549 -0.411 -4.516 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.344 -0.539 -2.753 1.00 1.00 H new ATOM 174 N THR A 14 3.460 -3.808 -6.002 1.00 1.00 N ATOM 175 CA THR A 14 3.194 -4.005 -7.425 1.00 1.00 C ATOM 176 C THR A 14 1.876 -4.748 -7.596 1.00 1.00 C ATOM 177 O THR A 14 0.980 -4.310 -8.332 1.00 1.00 O ATOM 178 CB THR A 14 4.346 -4.804 -8.053 1.00 1.00 C ATOM 179 OG1 THR A 14 5.477 -3.955 -8.188 1.00 1.00 O ATOM 180 CG2 THR A 14 3.944 -5.342 -9.432 1.00 1.00 C ATOM 0 H THR A 14 4.347 -4.191 -5.675 1.00 1.00 H new ATOM 0 HA THR A 14 3.121 -3.040 -7.926 1.00 1.00 H new ATOM 0 HB THR A 14 4.584 -5.650 -7.408 1.00 1.00 H new ATOM 0 HG1 THR A 14 5.961 -3.917 -7.337 1.00 1.00 H new ATOM 0 HG21 THR A 14 4.774 -5.905 -9.859 1.00 1.00 H new ATOM 0 HG22 THR A 14 3.078 -5.995 -9.329 1.00 1.00 H new ATOM 0 HG23 THR A 14 3.694 -4.509 -10.089 1.00 1.00 H new ATOM 188 N LYS A 15 1.747 -5.859 -6.900 1.00 1.00 N ATOM 189 CA LYS A 15 0.522 -6.619 -6.984 1.00 1.00 C ATOM 190 C LYS A 15 -0.632 -5.773 -6.465 1.00 1.00 C ATOM 191 O LYS A 15 -1.718 -5.776 -7.027 1.00 1.00 O ATOM 192 CB LYS A 15 0.657 -7.906 -6.188 1.00 1.00 C ATOM 193 CG LYS A 15 -0.586 -8.781 -6.397 1.00 1.00 C ATOM 194 CD LYS A 15 -0.261 -10.220 -5.996 1.00 1.00 C ATOM 195 CE LYS A 15 0.411 -10.240 -4.619 1.00 1.00 C ATOM 196 NZ LYS A 15 0.330 -11.610 -4.046 1.00 1.00 N ATOM 0 H LYS A 15 2.460 -6.248 -6.283 1.00 1.00 H new ATOM 0 HA LYS A 15 0.321 -6.883 -8.022 1.00 1.00 H new ATOM 0 HB2 LYS A 15 1.550 -8.446 -6.502 1.00 1.00 H new ATOM 0 HB3 LYS A 15 0.778 -7.678 -5.129 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -1.416 -8.403 -5.800 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -0.901 -8.744 -7.440 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -1.174 -10.815 -5.973 1.00 1.00 H new ATOM 0 HD3 LYS A 15 0.397 -10.673 -6.738 1.00 1.00 H new ATOM 0 HE2 LYS A 15 1.453 -9.932 -4.707 1.00 1.00 H new ATOM 0 HE3 LYS A 15 -0.077 -9.527 -3.954 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 0.786 -11.623 -3.111 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -0.668 -11.887 -3.948 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 0.815 -12.280 -4.677 1.00 1.00 H new ATOM 210 N ALA A 16 -0.405 -5.044 -5.388 1.00 1.00 N ATOM 211 CA ALA A 16 -1.459 -4.217 -4.829 1.00 1.00 C ATOM 212 C ALA A 16 -2.074 -3.324 -5.897 1.00 1.00 C ATOM 213 O ALA A 16 -3.293 -3.162 -5.958 1.00 1.00 O ATOM 214 CB ALA A 16 -0.888 -3.344 -3.713 1.00 1.00 C ATOM 0 H ALA A 16 0.484 -5.007 -4.889 1.00 1.00 H new ATOM 0 HA ALA A 16 -2.234 -4.873 -4.432 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -1.681 -2.724 -3.295 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -0.473 -3.979 -2.930 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -0.102 -2.705 -4.117 1.00 1.00 H new ATOM 220 N THR A 17 -1.227 -2.740 -6.729 1.00 1.00 N ATOM 221 CA THR A 17 -1.715 -1.861 -7.774 1.00 1.00 C ATOM 222 C THR A 17 -2.518 -2.646 -8.803 1.00 1.00 C ATOM 223 O THR A 17 -3.546 -2.172 -9.296 1.00 1.00 O ATOM 224 CB THR A 17 -0.543 -1.162 -8.473 1.00 1.00 C ATOM 225 OG1 THR A 17 0.347 -2.142 -8.982 1.00 1.00 O ATOM 226 CG2 THR A 17 0.212 -0.258 -7.487 1.00 1.00 C ATOM 0 H THR A 17 -0.214 -2.857 -6.701 1.00 1.00 H new ATOM 0 HA THR A 17 -2.360 -1.113 -7.312 1.00 1.00 H new ATOM 0 HB THR A 17 -0.933 -0.548 -9.285 1.00 1.00 H new ATOM 0 HG1 THR A 17 0.210 -2.987 -8.505 1.00 1.00 H new ATOM 0 HG21 THR A 17 1.040 0.229 -8.001 1.00 1.00 H new ATOM 0 HG22 THR A 17 -0.467 0.499 -7.094 1.00 1.00 H new ATOM 0 HG23 THR A 17 0.599 -0.860 -6.665 1.00 1.00 H new ATOM 234 N GLU A 18 -2.059 -3.857 -9.114 1.00 1.00 N ATOM 235 CA GLU A 18 -2.773 -4.680 -10.080 1.00 1.00 C ATOM 236 C GLU A 18 -4.164 -5.021 -9.551 1.00 1.00 C ATOM 237 O GLU A 18 -5.147 -4.999 -10.290 1.00 1.00 O ATOM 238 CB GLU A 18 -1.958 -5.963 -10.420 1.00 1.00 C ATOM 239 CG GLU A 18 -2.507 -7.204 -9.691 1.00 1.00 C ATOM 240 CD GLU A 18 -1.606 -8.415 -9.929 1.00 1.00 C ATOM 241 OE1 GLU A 18 -0.399 -8.244 -9.920 1.00 1.00 O ATOM 242 OE2 GLU A 18 -2.138 -9.500 -10.110 1.00 1.00 O ATOM 0 H GLU A 18 -1.218 -4.279 -8.721 1.00 1.00 H new ATOM 0 HA GLU A 18 -2.893 -4.117 -11.005 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -1.983 -6.134 -11.496 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -0.914 -5.813 -10.145 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.578 -7.002 -8.622 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -3.516 -7.421 -10.042 1.00 1.00 H new ATOM 249 N GLU A 19 -4.234 -5.333 -8.259 1.00 1.00 N ATOM 250 CA GLU A 19 -5.498 -5.675 -7.632 1.00 1.00 C ATOM 251 C GLU A 19 -6.431 -4.472 -7.620 1.00 1.00 C ATOM 252 O GLU A 19 -7.629 -4.597 -7.867 1.00 1.00 O ATOM 253 CB GLU A 19 -5.244 -6.145 -6.200 1.00 1.00 C ATOM 254 CG GLU A 19 -4.563 -7.522 -6.203 1.00 1.00 C ATOM 255 CD GLU A 19 -5.476 -8.578 -6.822 1.00 1.00 C ATOM 256 OE1 GLU A 19 -6.603 -8.699 -6.368 1.00 1.00 O ATOM 257 OE2 GLU A 19 -5.039 -9.245 -7.745 1.00 1.00 O ATOM 0 H GLU A 19 -3.430 -5.355 -7.632 1.00 1.00 H new ATOM 0 HA GLU A 19 -5.970 -6.475 -8.203 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.616 -5.422 -5.679 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -6.187 -6.199 -5.655 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -3.629 -7.469 -6.762 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -4.308 -7.809 -5.183 1.00 1.00 H new ATOM 264 N ASP A 20 -5.878 -3.304 -7.343 1.00 1.00 N ATOM 265 CA ASP A 20 -6.684 -2.099 -7.316 1.00 1.00 C ATOM 266 C ASP A 20 -7.340 -1.895 -8.675 1.00 1.00 C ATOM 267 O ASP A 20 -8.512 -1.529 -8.763 1.00 1.00 O ATOM 268 CB ASP A 20 -5.804 -0.900 -6.983 1.00 1.00 C ATOM 269 CG ASP A 20 -6.674 0.297 -6.617 1.00 1.00 C ATOM 270 OD1 ASP A 20 -7.859 0.253 -6.902 1.00 1.00 O ATOM 271 OD2 ASP A 20 -6.142 1.242 -6.056 1.00 1.00 O ATOM 0 H ASP A 20 -4.889 -3.166 -7.137 1.00 1.00 H new ATOM 0 HA ASP A 20 -7.457 -2.198 -6.554 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -5.140 -1.145 -6.154 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -5.172 -0.654 -7.836 1.00 1.00 H new ATOM 276 N LYS A 21 -6.579 -2.153 -9.733 1.00 1.00 N ATOM 277 CA LYS A 21 -7.106 -2.014 -11.080 1.00 1.00 C ATOM 278 C LYS A 21 -8.199 -3.046 -11.320 1.00 1.00 C ATOM 279 O LYS A 21 -9.214 -2.757 -11.950 1.00 1.00 O ATOM 280 CB LYS A 21 -5.995 -2.203 -12.110 1.00 1.00 C ATOM 281 CG LYS A 21 -4.993 -1.045 -12.000 1.00 1.00 C ATOM 282 CD LYS A 21 -3.809 -1.262 -12.990 1.00 1.00 C ATOM 283 CE LYS A 21 -2.470 -1.073 -12.260 1.00 1.00 C ATOM 284 NZ LYS A 21 -1.359 -1.095 -13.250 1.00 1.00 N ATOM 0 H LYS A 21 -5.606 -2.456 -9.683 1.00 1.00 H new ATOM 0 HA LYS A 21 -7.522 -1.012 -11.186 1.00 1.00 H new ATOM 0 HB2 LYS A 21 -5.488 -3.154 -11.944 1.00 1.00 H new ATOM 0 HB3 LYS A 21 -6.418 -2.238 -13.114 1.00 1.00 H new ATOM 0 HG2 LYS A 21 -5.492 -0.101 -12.219 1.00 1.00 H new ATOM 0 HG3 LYS A 21 -4.616 -0.977 -10.980 1.00 1.00 H new ATOM 0 HD2 LYS A 21 -3.861 -2.263 -13.418 1.00 1.00 H new ATOM 0 HD3 LYS A 21 -3.883 -0.557 -13.818 1.00 1.00 H new ATOM 0 HE2 LYS A 21 -2.469 -0.128 -11.717 1.00 1.00 H new ATOM 0 HE3 LYS A 21 -2.330 -1.864 -11.523 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 -0.452 -0.967 -12.757 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 -1.356 -2.008 -13.749 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 -1.491 -0.326 -13.937 1.00 1.00 H new ATOM 298 N ALA A 22 -7.977 -4.255 -10.810 1.00 1.00 N ATOM 299 CA ALA A 22 -8.947 -5.330 -10.980 1.00 1.00 C ATOM 300 C ALA A 22 -10.160 -5.101 -10.100 1.00 1.00 C ATOM 301 O ALA A 22 -11.030 -5.970 -9.985 1.00 1.00 O ATOM 302 CB ALA A 22 -8.302 -6.673 -10.650 1.00 1.00 C ATOM 0 H ALA A 22 -7.143 -4.512 -10.282 1.00 1.00 H new ATOM 0 HA ALA A 22 -9.275 -5.339 -12.020 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -9.034 -7.470 -10.780 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -7.457 -6.844 -11.317 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -7.953 -6.665 -9.617 1.00 1.00 H new ATOM 308 N LYS A 23 -10.210 -3.924 -9.487 1.00 1.00 N ATOM 309 CA LYS A 23 -11.310 -3.544 -8.600 1.00 1.00 C ATOM 310 C LYS A 23 -11.280 -4.370 -7.322 1.00 1.00 C ATOM 311 O LYS A 23 -12.310 -4.564 -6.672 1.00 1.00 O ATOM 312 CB LYS A 23 -12.660 -3.733 -9.299 1.00 1.00 C ATOM 313 CG LYS A 23 -12.640 -3.059 -10.670 1.00 1.00 C ATOM 314 CD LYS A 23 -12.480 -1.546 -10.510 1.00 1.00 C ATOM 315 CE LYS A 23 -12.840 -0.844 -11.820 1.00 1.00 C ATOM 316 NZ LYS A 23 -12.710 0.628 -11.630 1.00 1.00 N ATOM 0 H LYS A 23 -9.493 -3.206 -9.589 1.00 1.00 H new ATOM 0 HA LYS A 23 -11.185 -2.491 -8.347 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -12.875 -4.796 -9.411 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -13.457 -3.309 -8.688 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -11.821 -3.458 -11.268 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -13.563 -3.280 -11.206 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -13.122 -1.186 -9.706 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -11.454 -1.308 -10.229 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -12.182 -1.180 -12.621 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -13.858 -1.097 -12.116 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -12.953 1.115 -12.516 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -13.355 0.939 -10.876 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -11.731 0.859 -11.365 1.00 1.00 H new ATOM 330 N ASN A 24 -10.090 -4.844 -6.959 1.00 1.00 N ATOM 331 CA ASN A 24 -9.932 -5.642 -5.744 1.00 1.00 C ATOM 332 C ASN A 24 -9.438 -4.754 -4.596 1.00 1.00 C ATOM 333 O ASN A 24 -8.296 -4.857 -4.154 1.00 1.00 O ATOM 334 CB ASN A 24 -8.933 -6.787 -6.016 1.00 1.00 C ATOM 335 CG ASN A 24 -9.643 -8.126 -6.198 1.00 1.00 C ATOM 336 OD1 ASN A 24 -10.740 -8.187 -6.752 1.00 1.00 O ATOM 337 ND2 ASN A 24 -9.067 -9.207 -5.747 1.00 1.00 N ATOM 0 H ASN A 24 -9.228 -4.692 -7.483 1.00 1.00 H new ATOM 0 HA ASN A 24 -10.892 -6.069 -5.456 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -8.353 -6.559 -6.910 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -8.228 -6.859 -5.188 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -9.526 -10.112 -5.853 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -8.158 -9.147 -5.289 1.00 1.00 H new ATOM 344 N TYR A 25 -10.300 -3.872 -4.131 1.00 1.00 N ATOM 345 CA TYR A 25 -9.948 -2.964 -3.047 1.00 1.00 C ATOM 346 C TYR A 25 -9.508 -3.744 -1.820 1.00 1.00 C ATOM 347 O TYR A 25 -8.531 -3.388 -1.191 1.00 1.00 O ATOM 348 CB TYR A 25 -11.150 -2.094 -2.678 1.00 1.00 C ATOM 349 CG TYR A 25 -11.870 -1.661 -3.940 1.00 1.00 C ATOM 350 CD1 TYR A 25 -11.140 -1.237 -5.066 1.00 1.00 C ATOM 351 CD2 TYR A 25 -13.270 -1.701 -3.986 1.00 1.00 C ATOM 352 CE1 TYR A 25 -11.820 -0.859 -6.228 1.00 1.00 C ATOM 353 CE2 TYR A 25 -13.940 -1.315 -5.150 1.00 1.00 C ATOM 354 CZ TYR A 25 -13.220 -0.897 -6.272 1.00 1.00 C ATOM 355 OH TYR A 25 -13.880 -0.524 -7.421 1.00 1.00 O ATOM 0 H TYR A 25 -11.251 -3.761 -4.484 1.00 1.00 H new ATOM 0 HA TYR A 25 -9.127 -2.333 -3.387 1.00 1.00 H new ATOM 0 HB2 TYR A 25 -11.830 -2.650 -2.032 1.00 1.00 H new ATOM 0 HB3 TYR A 25 -10.820 -1.220 -2.117 1.00 1.00 H new ATOM 0 HD1 TYR A 25 -10.061 -1.204 -5.033 1.00 1.00 H new ATOM 0 HD2 TYR A 25 -13.830 -2.030 -3.123 1.00 1.00 H new ATOM 0 HE1 TYR A 25 -11.264 -0.536 -7.096 1.00 1.00 H new ATOM 0 HE2 TYR A 25 -15.019 -1.340 -5.182 1.00 1.00 H new ATOM 0 HH TYR A 25 -14.847 -0.609 -7.285 1.00 1.00 H new ATOM 365 N GLU A 26 -10.220 -4.808 -1.491 1.00 1.00 N ATOM 366 CA GLU A 26 -9.884 -5.609 -0.320 1.00 1.00 C ATOM 367 C GLU A 26 -8.478 -6.208 -0.436 1.00 1.00 C ATOM 368 O GLU A 26 -7.646 -6.052 0.469 1.00 1.00 O ATOM 369 CB GLU A 26 -10.920 -6.739 -0.167 1.00 1.00 C ATOM 370 CG GLU A 26 -12.080 -6.276 0.710 1.00 1.00 C ATOM 371 CD GLU A 26 -13.170 -7.342 0.725 1.00 1.00 C ATOM 372 OE1 GLU A 26 -12.960 -8.382 0.121 1.00 1.00 O ATOM 373 OE2 GLU A 26 -14.200 -7.105 1.336 1.00 1.00 O ATOM 0 H GLU A 26 -11.031 -5.139 -2.014 1.00 1.00 H new ATOM 0 HA GLU A 26 -9.900 -4.962 0.557 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -11.292 -7.036 -1.147 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -10.449 -7.617 0.275 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -11.729 -6.087 1.724 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -12.482 -5.336 0.332 1.00 1.00 H new ATOM 380 N GLU A 27 -8.214 -6.891 -1.543 1.00 1.00 N ATOM 381 CA GLU A 27 -6.908 -7.509 -1.736 1.00 1.00 C ATOM 382 C GLU A 27 -5.831 -6.436 -1.853 1.00 1.00 C ATOM 383 O GLU A 27 -4.775 -6.527 -1.228 1.00 1.00 O ATOM 384 CB GLU A 27 -6.922 -8.379 -3.005 1.00 1.00 C ATOM 385 CG GLU A 27 -5.887 -9.499 -2.893 1.00 1.00 C ATOM 386 CD GLU A 27 -6.381 -10.570 -1.925 1.00 1.00 C ATOM 387 OE1 GLU A 27 -7.520 -10.470 -1.496 1.00 1.00 O ATOM 388 OE2 GLU A 27 -5.615 -11.470 -1.628 1.00 1.00 O ATOM 0 H GLU A 27 -8.874 -7.030 -2.309 1.00 1.00 H new ATOM 0 HA GLU A 27 -6.685 -8.139 -0.875 1.00 1.00 H new ATOM 0 HB2 GLU A 27 -7.915 -8.805 -3.151 1.00 1.00 H new ATOM 0 HB3 GLU A 27 -6.708 -7.763 -3.879 1.00 1.00 H new ATOM 0 HG2 GLU A 27 -5.707 -9.939 -3.874 1.00 1.00 H new ATOM 0 HG3 GLU A 27 -4.936 -9.094 -2.546 1.00 1.00 H new ATOM 395 N ALA A 28 -6.113 -5.414 -2.651 1.00 1.00 N ATOM 396 CA ALA A 28 -5.166 -4.329 -2.843 1.00 1.00 C ATOM 397 C ALA A 28 -4.793 -3.693 -1.508 1.00 1.00 C ATOM 398 O ALA A 28 -3.619 -3.425 -1.253 1.00 1.00 O ATOM 399 CB ALA A 28 -5.772 -3.271 -3.770 1.00 1.00 C ATOM 0 H ALA A 28 -6.985 -5.316 -3.172 1.00 1.00 H new ATOM 0 HA ALA A 28 -4.262 -4.736 -3.296 1.00 1.00 H new ATOM 0 HB1 ALA A 28 -5.058 -2.459 -3.911 1.00 1.00 H new ATOM 0 HB2 ALA A 28 -6.004 -3.722 -4.735 1.00 1.00 H new ATOM 0 HB3 ALA A 28 -6.686 -2.877 -3.325 1.00 1.00 H new ATOM 405 N LEU A 29 -5.789 -3.447 -0.659 1.00 1.00 N ATOM 406 CA LEU A 29 -5.546 -2.825 0.640 1.00 1.00 C ATOM 407 C LEU A 29 -4.617 -3.669 1.492 1.00 1.00 C ATOM 408 O LEU A 29 -3.688 -3.151 2.117 1.00 1.00 O ATOM 409 CB LEU A 29 -6.901 -2.653 1.365 1.00 1.00 C ATOM 410 CG LEU A 29 -7.014 -1.282 2.020 1.00 1.00 C ATOM 411 CD1 LEU A 29 -8.456 -1.030 2.449 1.00 1.00 C ATOM 412 CD2 LEU A 29 -6.104 -1.203 3.247 1.00 1.00 C ATOM 0 H LEU A 29 -6.767 -3.668 -0.846 1.00 1.00 H new ATOM 0 HA LEU A 29 -5.068 -1.858 0.483 1.00 1.00 H new ATOM 0 HB2 LEU A 29 -7.715 -2.785 0.653 1.00 1.00 H new ATOM 0 HB3 LEU A 29 -7.011 -3.429 2.122 1.00 1.00 H new ATOM 0 HG LEU A 29 -6.708 -0.526 1.297 1.00 1.00 H new ATOM 0 HD11 LEU A 29 -8.530 -0.048 2.917 1.00 1.00 H new ATOM 0 HD12 LEU A 29 -9.107 -1.066 1.576 1.00 1.00 H new ATOM 0 HD13 LEU A 29 -8.763 -1.795 3.162 1.00 1.00 H new ATOM 0 HD21 LEU A 29 -6.195 -0.218 3.705 1.00 1.00 H new ATOM 0 HD22 LEU A 29 -6.398 -1.966 3.967 1.00 1.00 H new ATOM 0 HD23 LEU A 29 -5.070 -1.368 2.944 1.00 1.00 H new ATOM 424 N ARG A 30 -4.865 -4.964 1.524 1.00 1.00 N ATOM 425 CA ARG A 30 -4.021 -5.833 2.322 1.00 1.00 C ATOM 426 C ARG A 30 -2.578 -5.748 1.836 1.00 1.00 C ATOM 427 O ARG A 30 -1.641 -5.668 2.635 1.00 1.00 O ATOM 428 CB ARG A 30 -4.525 -7.270 2.223 1.00 1.00 C ATOM 429 CG ARG A 30 -5.847 -7.387 2.981 1.00 1.00 C ATOM 430 CD ARG A 30 -6.380 -8.811 2.853 1.00 1.00 C ATOM 431 NE ARG A 30 -7.661 -8.940 3.541 1.00 1.00 N ATOM 432 CZ ARG A 30 -7.724 -9.212 4.842 1.00 1.00 C ATOM 433 NH1 ARG A 30 -6.627 -9.369 5.533 1.00 1.00 N ATOM 434 NH2 ARG A 30 -8.885 -9.322 5.428 1.00 1.00 N ATOM 0 H ARG A 30 -5.622 -5.428 1.022 1.00 1.00 H new ATOM 0 HA ARG A 30 -4.059 -5.513 3.363 1.00 1.00 H new ATOM 0 HB2 ARG A 30 -4.664 -7.549 1.179 1.00 1.00 H new ATOM 0 HB3 ARG A 30 -3.789 -7.957 2.641 1.00 1.00 H new ATOM 0 HG2 ARG A 30 -5.700 -7.135 4.031 1.00 1.00 H new ATOM 0 HG3 ARG A 30 -6.572 -6.678 2.581 1.00 1.00 H new ATOM 0 HD2 ARG A 30 -6.498 -9.068 1.800 1.00 1.00 H new ATOM 0 HD3 ARG A 30 -5.661 -9.514 3.274 1.00 1.00 H new ATOM 0 HE ARG A 30 -8.526 -8.819 3.014 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -5.719 -9.283 5.076 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -6.678 -9.577 6.530 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -9.742 -9.200 4.889 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -8.935 -9.530 6.425 1.00 1.00 H new ATOM 448 N LEU A 31 -2.404 -5.761 0.519 1.00 1.00 N ATOM 449 CA LEU A 31 -1.069 -5.687 -0.061 1.00 1.00 C ATOM 450 C LEU A 31 -0.425 -4.326 0.214 1.00 1.00 C ATOM 451 O LEU A 31 0.773 -4.245 0.485 1.00 1.00 O ATOM 452 CB LEU A 31 -1.140 -5.931 -1.568 1.00 1.00 C ATOM 453 CG LEU A 31 -1.732 -7.322 -1.837 1.00 1.00 C ATOM 454 CD1 LEU A 31 -2.019 -7.463 -3.332 1.00 1.00 C ATOM 455 CD2 LEU A 31 -0.756 -8.423 -1.392 1.00 1.00 C ATOM 0 H LEU A 31 -3.162 -5.821 -0.161 1.00 1.00 H new ATOM 0 HA LEU A 31 -0.454 -6.458 0.403 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -1.754 -5.165 -2.042 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -0.145 -5.857 -2.006 1.00 1.00 H new ATOM 0 HG LEU A 31 -2.655 -7.430 -1.268 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -2.440 -8.449 -3.530 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -2.730 -6.696 -3.640 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -1.092 -7.345 -3.893 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -1.195 -9.401 -1.591 1.00 1.00 H new ATOM 0 HD22 LEU A 31 0.179 -8.325 -1.944 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -0.559 -8.325 -0.324 1.00 1.00 H new ATOM 467 N TYR A 32 -1.221 -3.259 0.136 1.00 1.00 N ATOM 468 CA TYR A 32 -0.697 -1.915 0.373 1.00 1.00 C ATOM 469 C TYR A 32 -0.115 -1.802 1.782 1.00 1.00 C ATOM 470 O TYR A 32 1.001 -1.311 1.967 1.00 1.00 O ATOM 471 CB TYR A 32 -1.820 -0.868 0.193 1.00 1.00 C ATOM 472 CG TYR A 32 -1.946 -0.465 -1.267 1.00 1.00 C ATOM 473 CD1 TYR A 32 -0.864 0.142 -1.921 1.00 1.00 C ATOM 474 CD2 TYR A 32 -3.140 -0.695 -1.965 1.00 1.00 C ATOM 475 CE1 TYR A 32 -0.976 0.516 -3.265 1.00 1.00 C ATOM 476 CE2 TYR A 32 -3.247 -0.323 -3.310 1.00 1.00 C ATOM 477 CZ TYR A 32 -2.165 0.282 -3.958 1.00 1.00 C ATOM 478 OH TYR A 32 -2.272 0.641 -5.283 1.00 1.00 O ATOM 0 H TYR A 32 -2.216 -3.298 -0.086 1.00 1.00 H new ATOM 0 HA TYR A 32 0.096 -1.726 -0.351 1.00 1.00 H new ATOM 0 HB2 TYR A 32 -2.766 -1.278 0.546 1.00 1.00 H new ATOM 0 HB3 TYR A 32 -1.606 0.011 0.801 1.00 1.00 H new ATOM 0 HD1 TYR A 32 0.057 0.321 -1.387 1.00 1.00 H new ATOM 0 HD2 TYR A 32 -3.977 -1.159 -1.465 1.00 1.00 H new ATOM 0 HE1 TYR A 32 -0.142 0.986 -3.766 1.00 1.00 H new ATOM 0 HE2 TYR A 32 -4.166 -0.503 -3.848 1.00 1.00 H new ATOM 0 HH TYR A 32 -3.164 0.407 -5.614 1.00 1.00 H new ATOM 488 N GLN A 33 -0.874 -2.254 2.768 1.00 1.00 N ATOM 489 CA GLN A 33 -0.420 -2.186 4.150 1.00 1.00 C ATOM 490 C GLN A 33 0.813 -3.058 4.362 1.00 1.00 C ATOM 491 O GLN A 33 1.760 -2.661 5.046 1.00 1.00 O ATOM 492 CB GLN A 33 -1.542 -2.649 5.082 1.00 1.00 C ATOM 493 CG GLN A 33 -2.687 -1.637 5.043 1.00 1.00 C ATOM 494 CD GLN A 33 -3.836 -2.116 5.923 1.00 1.00 C ATOM 495 OE1 GLN A 33 -3.717 -3.138 6.599 1.00 1.00 O ATOM 496 NE2 GLN A 33 -4.950 -1.436 5.956 1.00 1.00 N ATOM 0 H GLN A 33 -1.798 -2.668 2.641 1.00 1.00 H new ATOM 0 HA GLN A 33 -0.155 -1.153 4.375 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -1.901 -3.632 4.777 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -1.166 -2.749 6.100 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -2.336 -0.664 5.387 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -3.033 -1.506 4.018 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -5.048 -0.589 5.396 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -5.723 -1.751 6.542 1.00 1.00 H new ATOM 505 N HIS A 34 0.800 -4.242 3.765 1.00 1.00 N ATOM 506 CA HIS A 34 1.929 -5.157 3.900 1.00 1.00 C ATOM 507 C HIS A 34 3.183 -4.564 3.260 1.00 1.00 C ATOM 508 O HIS A 34 4.246 -4.498 3.882 1.00 1.00 O ATOM 509 CB HIS A 34 1.573 -6.499 3.226 1.00 1.00 C ATOM 510 CG HIS A 34 0.962 -7.433 4.238 1.00 1.00 C ATOM 511 ND1 HIS A 34 -0.379 -7.784 4.211 1.00 1.00 N ATOM 512 CD2 HIS A 34 1.499 -8.082 5.319 1.00 1.00 C ATOM 513 CE1 HIS A 34 -0.602 -8.611 5.249 1.00 1.00 C ATOM 514 NE2 HIS A 34 0.511 -8.826 5.957 1.00 1.00 N ATOM 0 H HIS A 34 0.033 -4.590 3.190 1.00 1.00 H new ATOM 0 HA HIS A 34 2.134 -5.319 4.958 1.00 1.00 H new ATOM 0 HB2 HIS A 34 0.875 -6.330 2.406 1.00 1.00 H new ATOM 0 HB3 HIS A 34 2.468 -6.949 2.796 1.00 1.00 H new ATOM 0 HD1 HIS A 34 -1.070 -7.472 3.529 1.00 1.00 H new ATOM 0 HD2 HIS A 34 2.532 -8.025 5.629 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -1.562 -9.047 5.481 1.00 1.00 H new ATOM 523 N ALA A 35 3.046 -4.127 2.019 1.00 1.00 N ATOM 524 CA ALA A 35 4.172 -3.547 1.307 1.00 1.00 C ATOM 525 C ALA A 35 4.785 -2.409 2.109 1.00 1.00 C ATOM 526 O ALA A 35 6.004 -2.333 2.263 1.00 1.00 O ATOM 527 CB ALA A 35 3.717 -3.027 -0.052 1.00 1.00 C ATOM 0 H ALA A 35 2.176 -4.162 1.488 1.00 1.00 H new ATOM 0 HA ALA A 35 4.925 -4.322 1.166 1.00 1.00 H new ATOM 0 HB1 ALA A 35 4.567 -2.594 -0.579 1.00 1.00 H new ATOM 0 HB2 ALA A 35 3.308 -3.850 -0.638 1.00 1.00 H new ATOM 0 HB3 ALA A 35 2.950 -2.265 0.088 1.00 1.00 H new ATOM 533 N VAL A 36 3.935 -1.532 2.627 1.00 1.00 N ATOM 534 CA VAL A 36 4.418 -0.407 3.410 1.00 1.00 C ATOM 535 C VAL A 36 5.220 -0.906 4.607 1.00 1.00 C ATOM 536 O VAL A 36 6.286 -0.373 4.914 1.00 1.00 O ATOM 537 CB VAL A 36 3.243 0.463 3.879 1.00 1.00 C ATOM 538 CG1 VAL A 36 3.744 1.455 4.943 1.00 1.00 C ATOM 539 CG2 VAL A 36 2.658 1.230 2.673 1.00 1.00 C ATOM 0 H VAL A 36 2.922 -1.578 2.520 1.00 1.00 H new ATOM 0 HA VAL A 36 5.069 0.202 2.782 1.00 1.00 H new ATOM 0 HB VAL A 36 2.464 -0.166 4.311 1.00 1.00 H new ATOM 0 HG11 VAL A 36 2.914 2.076 5.281 1.00 1.00 H new ATOM 0 HG12 VAL A 36 4.153 0.904 5.790 1.00 1.00 H new ATOM 0 HG13 VAL A 36 4.520 2.088 4.513 1.00 1.00 H new ATOM 0 HG21 VAL A 36 1.824 1.848 3.005 1.00 1.00 H new ATOM 0 HG22 VAL A 36 3.429 1.865 2.237 1.00 1.00 H new ATOM 0 HG23 VAL A 36 2.308 0.519 1.925 1.00 1.00 H new ATOM 549 N GLU A 37 4.707 -1.927 5.276 1.00 1.00 N ATOM 550 CA GLU A 37 5.399 -2.478 6.432 1.00 1.00 C ATOM 551 C GLU A 37 6.835 -2.849 6.071 1.00 1.00 C ATOM 552 O GLU A 37 7.779 -2.481 6.773 1.00 1.00 O ATOM 553 CB GLU A 37 4.670 -3.737 6.914 1.00 1.00 C ATOM 554 CG GLU A 37 5.020 -4.012 8.378 1.00 1.00 C ATOM 555 CD GLU A 37 4.384 -2.953 9.275 1.00 1.00 C ATOM 556 OE1 GLU A 37 3.634 -2.140 8.759 1.00 1.00 O ATOM 557 OE2 GLU A 37 4.663 -2.967 10.462 1.00 1.00 O ATOM 0 H GLU A 37 3.826 -2.386 5.043 1.00 1.00 H new ATOM 0 HA GLU A 37 5.410 -1.724 7.219 1.00 1.00 H new ATOM 0 HB2 GLU A 37 3.593 -3.608 6.806 1.00 1.00 H new ATOM 0 HB3 GLU A 37 4.952 -4.590 6.297 1.00 1.00 H new ATOM 0 HG2 GLU A 37 4.667 -5.003 8.665 1.00 1.00 H new ATOM 0 HG3 GLU A 37 6.102 -4.009 8.509 1.00 1.00 H new ATOM 564 N TYR A 38 6.991 -3.587 4.978 1.00 1.00 N ATOM 565 CA TYR A 38 8.324 -4.005 4.549 1.00 1.00 C ATOM 566 C TYR A 38 9.183 -2.800 4.192 1.00 1.00 C ATOM 567 O TYR A 38 10.385 -2.785 4.457 1.00 1.00 O ATOM 568 CB TYR A 38 8.244 -4.949 3.338 1.00 1.00 C ATOM 569 CG TYR A 38 7.944 -6.354 3.797 1.00 1.00 C ATOM 570 CD1 TYR A 38 8.997 -7.200 4.152 1.00 1.00 C ATOM 571 CD2 TYR A 38 6.625 -6.806 3.873 1.00 1.00 C ATOM 572 CE1 TYR A 38 8.733 -8.501 4.583 1.00 1.00 C ATOM 573 CE2 TYR A 38 6.356 -8.107 4.305 1.00 1.00 C ATOM 574 CZ TYR A 38 7.412 -8.958 4.660 1.00 1.00 C ATOM 575 OH TYR A 38 7.150 -10.240 5.088 1.00 1.00 O ATOM 0 H TYR A 38 6.227 -3.905 4.381 1.00 1.00 H new ATOM 0 HA TYR A 38 8.782 -4.536 5.383 1.00 1.00 H new ATOM 0 HB2 TYR A 38 7.468 -4.609 2.652 1.00 1.00 H new ATOM 0 HB3 TYR A 38 9.186 -4.930 2.789 1.00 1.00 H new ATOM 0 HD1 TYR A 38 10.016 -6.847 4.093 1.00 1.00 H new ATOM 0 HD2 TYR A 38 5.813 -6.150 3.598 1.00 1.00 H new ATOM 0 HE1 TYR A 38 9.548 -9.155 4.857 1.00 1.00 H new ATOM 0 HE2 TYR A 38 5.336 -8.457 4.365 1.00 1.00 H new ATOM 0 HH TYR A 38 6.182 -10.395 5.083 1.00 1.00 H new ATOM 585 N PHE A 39 8.569 -1.798 3.586 1.00 1.00 N ATOM 586 CA PHE A 39 9.305 -0.604 3.197 1.00 1.00 C ATOM 587 C PHE A 39 9.920 0.068 4.427 1.00 1.00 C ATOM 588 O PHE A 39 11.112 0.390 4.442 1.00 1.00 O ATOM 589 CB PHE A 39 8.349 0.375 2.480 1.00 1.00 C ATOM 590 CG PHE A 39 8.322 0.093 0.987 1.00 1.00 C ATOM 591 CD1 PHE A 39 9.487 0.268 0.240 1.00 1.00 C ATOM 592 CD2 PHE A 39 7.143 -0.331 0.350 1.00 1.00 C ATOM 593 CE1 PHE A 39 9.486 0.020 -1.137 1.00 1.00 C ATOM 594 CE2 PHE A 39 7.142 -0.579 -1.031 1.00 1.00 C ATOM 595 CZ PHE A 39 8.314 -0.403 -1.772 1.00 1.00 C ATOM 0 H PHE A 39 7.576 -1.785 3.354 1.00 1.00 H new ATOM 0 HA PHE A 39 10.111 -0.886 2.520 1.00 1.00 H new ATOM 0 HB2 PHE A 39 7.345 0.280 2.893 1.00 1.00 H new ATOM 0 HB3 PHE A 39 8.670 1.402 2.657 1.00 1.00 H new ATOM 0 HD1 PHE A 39 10.394 0.596 0.727 1.00 1.00 H new ATOM 0 HD2 PHE A 39 6.238 -0.466 0.924 1.00 1.00 H new ATOM 0 HE1 PHE A 39 10.391 0.155 -1.710 1.00 1.00 H new ATOM 0 HE2 PHE A 39 6.237 -0.906 -1.521 1.00 1.00 H new ATOM 0 HZ PHE A 39 8.314 -0.594 -2.835 1.00 1.00 H new ATOM 605 N LEU A 40 9.098 0.260 5.450 1.00 1.00 N ATOM 606 CA LEU A 40 9.544 0.891 6.686 1.00 1.00 C ATOM 607 C LEU A 40 10.617 0.035 7.351 1.00 1.00 C ATOM 608 O LEU A 40 11.608 0.543 7.876 1.00 1.00 O ATOM 609 CB LEU A 40 8.353 1.053 7.631 1.00 1.00 C ATOM 610 CG LEU A 40 7.308 1.983 6.999 1.00 1.00 C ATOM 611 CD1 LEU A 40 6.011 1.900 7.806 1.00 1.00 C ATOM 612 CD2 LEU A 40 7.807 3.438 6.981 1.00 1.00 C ATOM 0 H LEU A 40 8.115 -0.013 5.448 1.00 1.00 H new ATOM 0 HA LEU A 40 9.965 1.871 6.459 1.00 1.00 H new ATOM 0 HB2 LEU A 40 7.908 0.080 7.840 1.00 1.00 H new ATOM 0 HB3 LEU A 40 8.687 1.462 8.585 1.00 1.00 H new ATOM 0 HG LEU A 40 7.134 1.666 5.971 1.00 1.00 H new ATOM 0 HD11 LEU A 40 5.264 2.558 7.363 1.00 1.00 H new ATOM 0 HD12 LEU A 40 5.642 0.874 7.797 1.00 1.00 H new ATOM 0 HD13 LEU A 40 6.202 2.208 8.834 1.00 1.00 H new ATOM 0 HD21 LEU A 40 7.049 4.077 6.528 1.00 1.00 H new ATOM 0 HD22 LEU A 40 7.999 3.769 8.001 1.00 1.00 H new ATOM 0 HD23 LEU A 40 8.727 3.500 6.400 1.00 1.00 H new ATOM 624 N HIS A 41 10.432 -1.270 7.295 1.00 1.00 N ATOM 625 CA HIS A 41 11.400 -2.185 7.878 1.00 1.00 C ATOM 626 C HIS A 41 12.712 -2.144 7.097 1.00 1.00 C ATOM 627 O HIS A 41 13.776 -2.398 7.637 1.00 1.00 O ATOM 628 CB HIS A 41 10.840 -3.611 7.854 1.00 1.00 C ATOM 629 CG HIS A 41 11.691 -4.511 8.711 1.00 1.00 C ATOM 630 ND1 HIS A 41 12.847 -5.105 8.232 1.00 1.00 N ATOM 631 CD2 HIS A 41 11.568 -4.930 10.015 1.00 1.00 C ATOM 632 CE1 HIS A 41 13.370 -5.840 9.228 1.00 1.00 C ATOM 633 NE2 HIS A 41 12.631 -5.768 10.339 1.00 1.00 N ATOM 0 H HIS A 41 9.628 -1.720 6.856 1.00 1.00 H new ATOM 0 HA HIS A 41 11.591 -1.881 8.907 1.00 1.00 H new ATOM 0 HB2 HIS A 41 9.812 -3.614 8.218 1.00 1.00 H new ATOM 0 HB3 HIS A 41 10.817 -3.985 6.830 1.00 1.00 H new ATOM 0 HD2 HIS A 41 10.768 -4.651 10.685 1.00 1.00 H new ATOM 0 HE1 HIS A 41 14.278 -6.419 9.141 1.00 1.00 H new ATOM 0 HE2 HIS A 41 12.808 -6.228 11.232 1.00 1.00 H new ATOM 642 N ALA A 42 12.634 -1.846 5.817 1.00 1.00 N ATOM 643 CA ALA A 42 13.822 -1.800 4.989 1.00 1.00 C ATOM 644 C ALA A 42 14.689 -0.595 5.322 1.00 1.00 C ATOM 645 O ALA A 42 15.876 -0.729 5.515 1.00 1.00 O ATOM 646 CB ALA A 42 13.412 -1.755 3.509 1.00 1.00 C ATOM 0 H ALA A 42 11.764 -1.633 5.328 1.00 1.00 H new ATOM 0 HA ALA A 42 14.409 -2.697 5.185 1.00 1.00 H new ATOM 0 HB1 ALA A 42 14.305 -1.720 2.885 1.00 1.00 H new ATOM 0 HB2 ALA A 42 12.833 -2.646 3.265 1.00 1.00 H new ATOM 0 HB3 ALA A 42 12.807 -0.867 3.326 1.00 1.00 H new ATOM 652 N ILE A 43 14.082 0.571 5.432 1.00 1.00 N ATOM 653 CA ILE A 43 14.849 1.775 5.760 1.00 1.00 C ATOM 654 C ILE A 43 15.388 1.755 7.196 1.00 1.00 C ATOM 655 O ILE A 43 16.459 2.302 7.460 1.00 1.00 O ATOM 656 CB ILE A 43 13.977 3.012 5.572 1.00 1.00 C ATOM 657 CG1 ILE A 43 12.623 2.763 6.216 1.00 1.00 C ATOM 658 CG2 ILE A 43 13.784 3.294 4.087 1.00 1.00 C ATOM 659 CD1 ILE A 43 11.783 4.036 6.194 1.00 1.00 C ATOM 0 H ILE A 43 13.081 0.718 5.304 1.00 1.00 H new ATOM 0 HA ILE A 43 15.703 1.802 5.084 1.00 1.00 H new ATOM 0 HB ILE A 43 14.462 3.871 6.037 1.00 1.00 H new ATOM 0 HG12 ILE A 43 12.102 1.966 5.686 1.00 1.00 H new ATOM 0 HG13 ILE A 43 12.758 2.426 7.244 1.00 1.00 H new ATOM 0 HG21 ILE A 43 13.160 4.179 3.963 1.00 1.00 H new ATOM 0 HG22 ILE A 43 14.754 3.465 3.620 1.00 1.00 H new ATOM 0 HG23 ILE A 43 13.300 2.439 3.614 1.00 1.00 H new ATOM 0 HD11 ILE A 43 10.816 3.842 6.659 1.00 1.00 H new ATOM 0 HD12 ILE A 43 12.299 4.822 6.745 1.00 1.00 H new ATOM 0 HD13 ILE A 43 11.632 4.355 5.163 1.00 1.00 H new ATOM 671 N LYS A 44 14.648 1.138 8.123 1.00 1.00 N ATOM 672 CA LYS A 44 15.089 1.093 9.523 1.00 1.00 C ATOM 673 C LYS A 44 16.086 -0.001 9.792 1.00 1.00 C ATOM 674 O LYS A 44 17.091 0.205 10.472 1.00 1.00 O ATOM 675 CB LYS A 44 13.917 0.849 10.457 1.00 1.00 C ATOM 676 CG LYS A 44 12.962 1.979 10.322 1.00 1.00 C ATOM 677 CD LYS A 44 11.810 1.795 11.285 1.00 1.00 C ATOM 678 CE LYS A 44 10.753 2.857 11.007 1.00 1.00 C ATOM 679 NZ LYS A 44 11.269 4.209 11.370 1.00 1.00 N ATOM 0 H LYS A 44 13.760 0.672 7.937 1.00 1.00 H new ATOM 0 HA LYS A 44 15.552 2.063 9.703 1.00 1.00 H new ATOM 0 HB2 LYS A 44 13.426 -0.093 10.211 1.00 1.00 H new ATOM 0 HB3 LYS A 44 14.264 0.768 11.487 1.00 1.00 H new ATOM 0 HG2 LYS A 44 13.470 2.922 10.524 1.00 1.00 H new ATOM 0 HG3 LYS A 44 12.588 2.031 9.299 1.00 1.00 H new ATOM 0 HD2 LYS A 44 11.381 0.799 11.172 1.00 1.00 H new ATOM 0 HD3 LYS A 44 12.163 1.876 12.313 1.00 1.00 H new ATOM 0 HE2 LYS A 44 10.476 2.837 9.953 1.00 1.00 H new ATOM 0 HE3 LYS A 44 9.850 2.640 11.578 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 10.484 4.891 11.371 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 11.698 4.174 12.317 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 11.985 4.505 10.676 1.00 1.00 H new ATOM 802 N ALA A 52 17.075 7.718 -0.919 1.00 1.00 N ATOM 803 CA ALA A 52 16.253 6.526 -0.932 1.00 1.00 C ATOM 804 C ALA A 52 15.212 6.607 0.183 1.00 1.00 C ATOM 805 O ALA A 52 14.020 6.485 -0.069 1.00 1.00 O ATOM 806 CB ALA A 52 17.156 5.306 -0.720 1.00 1.00 C ATOM 0 HA ALA A 52 15.735 6.439 -1.887 1.00 1.00 H new ATOM 0 HB1 ALA A 52 16.551 4.400 -0.727 1.00 1.00 H new ATOM 0 HB2 ALA A 52 17.894 5.256 -1.521 1.00 1.00 H new ATOM 0 HB3 ALA A 52 17.667 5.394 0.239 1.00 1.00 H new ATOM 812 N LYS A 53 15.674 6.831 1.415 1.00 1.00 N ATOM 813 CA LYS A 53 14.760 6.914 2.551 1.00 1.00 C ATOM 814 C LYS A 53 13.617 7.866 2.250 1.00 1.00 C ATOM 815 O LYS A 53 12.450 7.504 2.379 1.00 1.00 O ATOM 816 CB LYS A 53 15.519 7.396 3.820 1.00 1.00 C ATOM 817 CG LYS A 53 15.798 6.220 4.775 1.00 1.00 C ATOM 818 CD LYS A 53 17.017 5.396 4.302 1.00 1.00 C ATOM 819 CE LYS A 53 18.236 5.683 5.187 1.00 1.00 C ATOM 820 NZ LYS A 53 18.589 7.125 5.082 1.00 1.00 N ATOM 0 H LYS A 53 16.659 6.956 1.648 1.00 1.00 H new ATOM 0 HA LYS A 53 14.352 5.919 2.732 1.00 1.00 H new ATOM 0 HB2 LYS A 53 16.459 7.865 3.530 1.00 1.00 H new ATOM 0 HB3 LYS A 53 14.930 8.155 4.334 1.00 1.00 H new ATOM 0 HG2 LYS A 53 15.980 6.599 5.781 1.00 1.00 H new ATOM 0 HG3 LYS A 53 14.920 5.577 4.831 1.00 1.00 H new ATOM 0 HD2 LYS A 53 16.779 4.333 4.334 1.00 1.00 H new ATOM 0 HD3 LYS A 53 17.248 5.640 3.265 1.00 1.00 H new ATOM 0 HE2 LYS A 53 18.017 5.425 6.223 1.00 1.00 H new ATOM 0 HE3 LYS A 53 19.079 5.066 4.876 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 19.537 7.280 5.480 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 18.582 7.412 4.083 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 17.895 7.692 5.610 1.00 1.00 H new ATOM 834 N GLU A 54 13.943 9.077 1.843 1.00 1.00 N ATOM 835 CA GLU A 54 12.907 10.037 1.533 1.00 1.00 C ATOM 836 C GLU A 54 11.953 9.442 0.522 1.00 1.00 C ATOM 837 O GLU A 54 10.739 9.616 0.618 1.00 1.00 O ATOM 838 CB GLU A 54 13.537 11.307 0.977 1.00 1.00 C ATOM 839 CG GLU A 54 14.158 12.093 2.126 1.00 1.00 C ATOM 840 CD GLU A 54 14.902 13.310 1.593 1.00 1.00 C ATOM 841 OE1 GLU A 54 14.884 13.510 0.389 1.00 1.00 O ATOM 842 OE2 GLU A 54 15.481 14.024 2.395 1.00 1.00 O ATOM 0 H GLU A 54 14.898 9.414 1.721 1.00 1.00 H new ATOM 0 HA GLU A 54 12.355 10.284 2.440 1.00 1.00 H new ATOM 0 HB2 GLU A 54 14.297 11.058 0.236 1.00 1.00 H new ATOM 0 HB3 GLU A 54 12.784 11.911 0.470 1.00 1.00 H new ATOM 0 HG2 GLU A 54 13.380 12.409 2.821 1.00 1.00 H new ATOM 0 HG3 GLU A 54 14.843 11.455 2.684 1.00 1.00 H new ATOM 849 N SER A 55 12.505 8.725 -0.438 1.00 1.00 N ATOM 850 CA SER A 55 11.677 8.103 -1.444 1.00 1.00 C ATOM 851 C SER A 55 10.713 7.104 -0.791 1.00 1.00 C ATOM 852 O SER A 55 9.531 7.051 -1.141 1.00 1.00 O ATOM 853 CB SER A 55 12.564 7.393 -2.472 1.00 1.00 C ATOM 854 OG SER A 55 13.694 8.198 -2.753 1.00 1.00 O ATOM 0 H SER A 55 13.507 8.562 -0.540 1.00 1.00 H new ATOM 0 HA SER A 55 11.090 8.869 -1.950 1.00 1.00 H new ATOM 0 HB2 SER A 55 12.881 6.423 -2.088 1.00 1.00 H new ATOM 0 HB3 SER A 55 12.001 7.205 -3.386 1.00 1.00 H new ATOM 0 HG SER A 55 14.264 7.745 -3.409 1.00 1.00 H new ATOM 860 N ILE A 56 11.229 6.305 0.147 1.00 1.00 N ATOM 861 CA ILE A 56 10.410 5.300 0.822 1.00 1.00 C ATOM 862 C ILE A 56 9.362 5.970 1.709 1.00 1.00 C ATOM 863 O ILE A 56 8.211 5.556 1.747 1.00 1.00 O ATOM 864 CB ILE A 56 11.286 4.404 1.713 1.00 1.00 C ATOM 865 CG1 ILE A 56 12.500 3.864 0.940 1.00 1.00 C ATOM 866 CG2 ILE A 56 10.458 3.212 2.195 1.00 1.00 C ATOM 867 CD1 ILE A 56 12.086 3.367 -0.436 1.00 1.00 C ATOM 0 H ILE A 56 12.202 6.335 0.453 1.00 1.00 H new ATOM 0 HA ILE A 56 9.921 4.702 0.053 1.00 1.00 H new ATOM 0 HB ILE A 56 11.638 5.004 2.553 1.00 1.00 H new ATOM 0 HG12 ILE A 56 13.250 4.648 0.838 1.00 1.00 H new ATOM 0 HG13 ILE A 56 12.962 3.052 1.501 1.00 1.00 H new ATOM 0 HG21 ILE A 56 11.074 2.573 2.827 1.00 1.00 H new ATOM 0 HG22 ILE A 56 9.602 3.571 2.766 1.00 1.00 H new ATOM 0 HG23 ILE A 56 10.107 2.641 1.335 1.00 1.00 H new ATOM 0 HD11 ILE A 56 12.961 2.990 -0.965 1.00 1.00 H new ATOM 0 HD12 ILE A 56 11.354 2.567 -0.329 1.00 1.00 H new ATOM 0 HD13 ILE A 56 11.646 4.188 -1.002 1.00 1.00 H new ATOM 879 N ARG A 57 9.791 6.987 2.451 1.00 1.00 N ATOM 880 CA ARG A 57 8.882 7.678 3.357 1.00 1.00 C ATOM 881 C ARG A 57 7.743 8.317 2.577 1.00 1.00 C ATOM 882 O ARG A 57 6.571 8.027 2.817 1.00 1.00 O ATOM 883 CB ARG A 57 9.635 8.759 4.134 1.00 1.00 C ATOM 884 CG ARG A 57 10.654 8.100 5.063 1.00 1.00 C ATOM 885 CD ARG A 57 11.257 9.158 5.987 1.00 1.00 C ATOM 886 NE ARG A 57 12.249 8.558 6.870 1.00 1.00 N ATOM 887 CZ ARG A 57 12.851 9.274 7.816 1.00 1.00 C ATOM 888 NH1 ARG A 57 12.550 10.535 7.971 1.00 1.00 N ATOM 889 NH2 ARG A 57 13.740 8.717 8.590 1.00 1.00 N ATOM 0 H ARG A 57 10.746 7.346 2.444 1.00 1.00 H new ATOM 0 HA ARG A 57 8.472 6.949 4.056 1.00 1.00 H new ATOM 0 HB2 ARG A 57 10.140 9.434 3.443 1.00 1.00 H new ATOM 0 HB3 ARG A 57 8.935 9.361 4.713 1.00 1.00 H new ATOM 0 HG2 ARG A 57 10.174 7.318 5.652 1.00 1.00 H new ATOM 0 HG3 ARG A 57 11.440 7.622 4.478 1.00 1.00 H new ATOM 0 HD2 ARG A 57 11.719 9.947 5.394 1.00 1.00 H new ATOM 0 HD3 ARG A 57 10.469 9.624 6.579 1.00 1.00 H new ATOM 0 HE ARG A 57 12.486 7.572 6.761 1.00 1.00 H new ATOM 0 HH11 ARG A 57 11.853 10.971 7.367 1.00 1.00 H new ATOM 0 HH12 ARG A 57 13.011 11.084 8.696 1.00 1.00 H new ATOM 0 HH21 ARG A 57 13.974 7.732 8.471 1.00 1.00 H new ATOM 0 HH22 ARG A 57 14.201 9.267 9.315 1.00 1.00 H new ATOM 903 N ALA A 58 8.089 9.193 1.643 1.00 1.00 N ATOM 904 CA ALA A 58 7.080 9.872 0.844 1.00 1.00 C ATOM 905 C ALA A 58 6.139 8.859 0.197 1.00 1.00 C ATOM 906 O ALA A 58 4.912 8.980 0.281 1.00 1.00 O ATOM 907 CB ALA A 58 7.772 10.708 -0.239 1.00 1.00 C ATOM 0 H ALA A 58 9.052 9.448 1.422 1.00 1.00 H new ATOM 0 HA ALA A 58 6.492 10.523 1.491 1.00 1.00 H new ATOM 0 HB1 ALA A 58 7.020 11.219 -0.840 1.00 1.00 H new ATOM 0 HB2 ALA A 58 8.423 11.445 0.231 1.00 1.00 H new ATOM 0 HB3 ALA A 58 8.366 10.055 -0.879 1.00 1.00 H new ATOM 913 N LYS A 59 6.721 7.856 -0.441 1.00 1.00 N ATOM 914 CA LYS A 59 5.929 6.829 -1.098 1.00 1.00 C ATOM 915 C LYS A 59 5.093 6.058 -0.085 1.00 1.00 C ATOM 916 O LYS A 59 3.919 5.768 -0.321 1.00 1.00 O ATOM 917 CB LYS A 59 6.862 5.894 -1.856 1.00 1.00 C ATOM 918 CG LYS A 59 7.489 6.639 -3.055 1.00 1.00 C ATOM 919 CD LYS A 59 6.486 6.858 -4.213 1.00 1.00 C ATOM 920 CE LYS A 59 5.873 5.530 -4.654 1.00 1.00 C ATOM 921 NZ LYS A 59 6.898 4.464 -4.529 1.00 1.00 N ATOM 0 H LYS A 59 7.730 7.731 -0.518 1.00 1.00 H new ATOM 0 HA LYS A 59 5.239 7.298 -1.800 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.646 5.531 -1.192 1.00 1.00 H new ATOM 0 HB3 LYS A 59 6.311 5.021 -2.206 1.00 1.00 H new ATOM 0 HG2 LYS A 59 7.867 7.605 -2.720 1.00 1.00 H new ATOM 0 HG3 LYS A 59 8.344 6.072 -3.423 1.00 1.00 H new ATOM 0 HD2 LYS A 59 5.698 7.540 -3.894 1.00 1.00 H new ATOM 0 HD3 LYS A 59 6.993 7.328 -5.056 1.00 1.00 H new ATOM 0 HE2 LYS A 59 5.005 5.293 -4.039 1.00 1.00 H new ATOM 0 HE3 LYS A 59 5.524 5.599 -5.684 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 6.491 3.554 -4.827 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 7.713 4.693 -5.133 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 7.209 4.396 -3.539 1.00 1.00 H new ATOM 935 N CYS A 60 5.702 5.729 1.038 1.00 1.00 N ATOM 936 CA CYS A 60 5.004 4.992 2.080 1.00 1.00 C ATOM 937 C CYS A 60 3.703 5.711 2.412 1.00 1.00 C ATOM 938 O CYS A 60 2.670 5.078 2.624 1.00 1.00 O ATOM 939 CB CYS A 60 5.895 4.878 3.322 1.00 1.00 C ATOM 940 SG CYS A 60 6.958 3.420 3.165 1.00 1.00 S ATOM 0 H CYS A 60 6.672 5.957 1.254 1.00 1.00 H new ATOM 0 HA CYS A 60 4.774 3.985 1.733 1.00 1.00 H new ATOM 0 HB2 CYS A 60 6.503 5.776 3.431 1.00 1.00 H new ATOM 0 HB3 CYS A 60 5.280 4.799 4.219 1.00 1.00 H new ATOM 0 HG CYS A 60 7.822 3.613 2.213 1.00 1.00 H new ATOM 946 N VAL A 61 3.755 7.035 2.429 1.00 1.00 N ATOM 947 CA VAL A 61 2.558 7.816 2.703 1.00 1.00 C ATOM 948 C VAL A 61 1.544 7.617 1.583 1.00 1.00 C ATOM 949 O VAL A 61 0.365 7.377 1.836 1.00 1.00 O ATOM 950 CB VAL A 61 2.907 9.296 2.819 1.00 1.00 C ATOM 951 CG1 VAL A 61 1.635 10.101 3.095 1.00 1.00 C ATOM 952 CG2 VAL A 61 3.901 9.494 3.961 1.00 1.00 C ATOM 0 H VAL A 61 4.598 7.584 2.259 1.00 1.00 H new ATOM 0 HA VAL A 61 2.128 7.478 3.646 1.00 1.00 H new ATOM 0 HB VAL A 61 3.354 9.640 1.887 1.00 1.00 H new ATOM 0 HG11 VAL A 61 1.885 11.159 3.178 1.00 1.00 H new ATOM 0 HG12 VAL A 61 0.929 9.958 2.277 1.00 1.00 H new ATOM 0 HG13 VAL A 61 1.184 9.761 4.027 1.00 1.00 H new ATOM 0 HG21 VAL A 61 4.152 10.551 4.046 1.00 1.00 H new ATOM 0 HG22 VAL A 61 3.456 9.151 4.895 1.00 1.00 H new ATOM 0 HG23 VAL A 61 4.806 8.921 3.759 1.00 1.00 H new ATOM 962 N GLN A 62 2.005 7.735 0.339 1.00 1.00 N ATOM 963 CA GLN A 62 1.106 7.578 -0.804 1.00 1.00 C ATOM 964 C GLN A 62 0.393 6.232 -0.744 1.00 1.00 C ATOM 965 O GLN A 62 -0.830 6.153 -0.912 1.00 1.00 O ATOM 966 CB GLN A 62 1.906 7.672 -2.103 1.00 1.00 C ATOM 967 CG GLN A 62 2.592 9.035 -2.167 1.00 1.00 C ATOM 968 CD GLN A 62 3.446 9.137 -3.426 1.00 1.00 C ATOM 969 OE1 GLN A 62 3.003 8.766 -4.514 1.00 1.00 O ATOM 970 NE2 GLN A 62 4.653 9.624 -3.340 1.00 1.00 N ATOM 0 H GLN A 62 2.976 7.935 0.099 1.00 1.00 H new ATOM 0 HA GLN A 62 0.360 8.372 -0.772 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.648 6.875 -2.147 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.247 7.542 -2.961 1.00 1.00 H new ATOM 0 HG2 GLN A 62 1.844 9.827 -2.161 1.00 1.00 H new ATOM 0 HG3 GLN A 62 3.215 9.179 -1.284 1.00 1.00 H new ATOM 0 HE21 GLN A 62 5.016 9.930 -2.437 1.00 1.00 H new ATOM 0 HE22 GLN A 62 5.234 9.699 -4.175 1.00 1.00 H new ATOM 979 N TYR A 63 1.159 5.174 -0.498 1.00 1.00 N ATOM 980 CA TYR A 63 0.583 3.838 -0.418 1.00 1.00 C ATOM 981 C TYR A 63 -0.418 3.754 0.726 1.00 1.00 C ATOM 982 O TYR A 63 -1.547 3.294 0.543 1.00 1.00 O ATOM 983 CB TYR A 63 1.695 2.790 -0.217 1.00 1.00 C ATOM 984 CG TYR A 63 2.654 2.770 -1.403 1.00 1.00 C ATOM 985 CD1 TYR A 63 2.166 2.731 -2.711 1.00 1.00 C ATOM 986 CD2 TYR A 63 4.040 2.791 -1.188 1.00 1.00 C ATOM 987 CE1 TYR A 63 3.043 2.719 -3.799 1.00 1.00 C ATOM 988 CE2 TYR A 63 4.921 2.780 -2.277 1.00 1.00 C ATOM 989 CZ TYR A 63 4.422 2.748 -3.584 1.00 1.00 C ATOM 990 OH TYR A 63 5.287 2.733 -4.657 1.00 1.00 O ATOM 0 H TYR A 63 2.168 5.215 -0.352 1.00 1.00 H new ATOM 0 HA TYR A 63 0.063 3.632 -1.354 1.00 1.00 H new ATOM 0 HB2 TYR A 63 2.247 3.012 0.697 1.00 1.00 H new ATOM 0 HB3 TYR A 63 1.250 1.803 -0.089 1.00 1.00 H new ATOM 0 HD1 TYR A 63 1.100 2.710 -2.883 1.00 1.00 H new ATOM 0 HD2 TYR A 63 4.429 2.816 -0.181 1.00 1.00 H new ATOM 0 HE1 TYR A 63 2.654 2.687 -4.806 1.00 1.00 H new ATOM 0 HE2 TYR A 63 5.988 2.796 -2.108 1.00 1.00 H new ATOM 0 HH TYR A 63 4.864 3.172 -5.424 1.00 1.00 H new ATOM 1000 N LEU A 64 -0.005 4.193 1.905 1.00 1.00 N ATOM 1001 CA LEU A 64 -0.899 4.139 3.049 1.00 1.00 C ATOM 1002 C LEU A 64 -2.148 4.961 2.776 1.00 1.00 C ATOM 1003 O LEU A 64 -3.256 4.492 3.013 1.00 1.00 O ATOM 1004 CB LEU A 64 -0.189 4.651 4.311 1.00 1.00 C ATOM 1005 CG LEU A 64 0.454 3.492 5.087 1.00 1.00 C ATOM 1006 CD1 LEU A 64 1.486 4.064 6.059 1.00 1.00 C ATOM 1007 CD2 LEU A 64 -0.615 2.708 5.876 1.00 1.00 C ATOM 0 H LEU A 64 0.920 4.581 2.092 1.00 1.00 H new ATOM 0 HA LEU A 64 -1.190 3.102 3.214 1.00 1.00 H new ATOM 0 HB2 LEU A 64 0.576 5.377 4.034 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -0.904 5.169 4.950 1.00 1.00 H new ATOM 0 HG LEU A 64 0.933 2.811 4.383 1.00 1.00 H new ATOM 0 HD11 LEU A 64 1.950 3.251 6.617 1.00 1.00 H new ATOM 0 HD12 LEU A 64 2.251 4.604 5.501 1.00 1.00 H new ATOM 0 HD13 LEU A 64 0.994 4.745 6.753 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -0.140 1.891 6.419 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -1.108 3.375 6.583 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -1.353 2.303 5.184 1.00 1.00 H new ATOM 1019 N ASP A 65 -1.986 6.177 2.284 1.00 1.00 N ATOM 1020 CA ASP A 65 -3.136 7.018 2.012 1.00 1.00 C ATOM 1021 C ASP A 65 -4.146 6.269 1.171 1.00 1.00 C ATOM 1022 O ASP A 65 -5.346 6.294 1.453 1.00 1.00 O ATOM 1023 CB ASP A 65 -2.665 8.268 1.271 1.00 1.00 C ATOM 1024 CG ASP A 65 -3.846 9.169 0.942 1.00 1.00 C ATOM 1025 OD1 ASP A 65 -4.965 8.780 1.230 1.00 1.00 O ATOM 1026 OD2 ASP A 65 -3.612 10.240 0.408 1.00 1.00 O ATOM 0 H ASP A 65 -1.083 6.599 2.068 1.00 1.00 H new ATOM 0 HA ASP A 65 -3.613 7.300 2.951 1.00 1.00 H new ATOM 0 HB2 ASP A 65 -1.945 8.811 1.883 1.00 1.00 H new ATOM 0 HB3 ASP A 65 -2.151 7.982 0.353 1.00 1.00 H new ATOM 1031 N ARG A 66 -3.665 5.595 0.142 1.00 1.00 N ATOM 1032 CA ARG A 66 -4.563 4.844 -0.707 1.00 1.00 C ATOM 1033 C ARG A 66 -5.260 3.766 0.119 1.00 1.00 C ATOM 1034 O ARG A 66 -6.462 3.539 -0.012 1.00 1.00 O ATOM 1035 CB ARG A 66 -3.777 4.212 -1.850 1.00 1.00 C ATOM 1036 CG ARG A 66 -3.307 5.302 -2.829 1.00 1.00 C ATOM 1037 CD ARG A 66 -4.466 5.799 -3.703 1.00 1.00 C ATOM 1038 NE ARG A 66 -5.195 4.667 -4.252 1.00 1.00 N ATOM 1039 CZ ARG A 66 -6.352 4.831 -4.874 1.00 1.00 C ATOM 1040 NH1 ARG A 66 -6.860 6.027 -5.004 1.00 1.00 N ATOM 1041 NH2 ARG A 66 -6.980 3.794 -5.351 1.00 1.00 N ATOM 0 H ARG A 66 -2.680 5.553 -0.120 1.00 1.00 H new ATOM 0 HA ARG A 66 -5.317 5.511 -1.126 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -2.917 3.670 -1.456 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -4.399 3.486 -2.373 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -2.884 6.138 -2.271 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -2.513 4.907 -3.463 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -5.137 6.422 -3.112 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -4.082 6.422 -4.511 1.00 1.00 H new ATOM 0 HE ARG A 66 -4.807 3.728 -4.156 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -6.365 6.835 -4.626 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -7.751 6.153 -5.483 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -6.580 2.862 -5.244 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -7.872 3.914 -5.831 1.00 1.00 H new ATOM 1055 N ALA A 67 -4.496 3.076 0.948 1.00 1.00 N ATOM 1056 CA ALA A 67 -5.068 2.016 1.761 1.00 1.00 C ATOM 1057 C ALA A 67 -6.133 2.578 2.714 1.00 1.00 C ATOM 1058 O ALA A 67 -7.149 1.931 2.982 1.00 1.00 O ATOM 1059 CB ALA A 67 -3.958 1.299 2.546 1.00 1.00 C ATOM 0 H ALA A 67 -3.495 3.226 1.075 1.00 1.00 H new ATOM 0 HA ALA A 67 -5.553 1.294 1.104 1.00 1.00 H new ATOM 0 HB1 ALA A 67 -4.395 0.506 3.153 1.00 1.00 H new ATOM 0 HB2 ALA A 67 -3.240 0.868 1.849 1.00 1.00 H new ATOM 0 HB3 ALA A 67 -3.451 2.014 3.194 1.00 1.00 H new ATOM 1065 N GLU A 68 -5.892 3.785 3.218 1.00 1.00 N ATOM 1066 CA GLU A 68 -6.817 4.444 4.138 1.00 1.00 C ATOM 1067 C GLU A 68 -8.154 4.749 3.477 1.00 1.00 C ATOM 1068 O GLU A 68 -9.207 4.367 3.986 1.00 1.00 O ATOM 1069 CB GLU A 68 -6.199 5.757 4.614 1.00 1.00 C ATOM 1070 CG GLU A 68 -5.012 5.467 5.527 1.00 1.00 C ATOM 1071 CD GLU A 68 -4.300 6.767 5.887 1.00 1.00 C ATOM 1072 OE1 GLU A 68 -4.739 7.806 5.423 1.00 1.00 O ATOM 1073 OE2 GLU A 68 -3.327 6.705 6.620 1.00 1.00 O ATOM 0 H GLU A 68 -5.058 4.331 3.003 1.00 1.00 H new ATOM 0 HA GLU A 68 -6.994 3.767 4.974 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -5.875 6.349 3.758 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -6.944 6.348 5.147 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -5.354 4.967 6.433 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -4.318 4.788 5.031 1.00 1.00 H new ATOM 1080 N LYS A 69 -8.118 5.450 2.350 1.00 1.00 N ATOM 1081 CA LYS A 69 -9.357 5.793 1.670 1.00 1.00 C ATOM 1082 C LYS A 69 -10.090 4.518 1.252 1.00 1.00 C ATOM 1083 O LYS A 69 -11.330 4.461 1.272 1.00 1.00 O ATOM 1084 CB LYS A 69 -9.075 6.669 0.442 1.00 1.00 C ATOM 1085 CG LYS A 69 -8.230 5.882 -0.541 1.00 1.00 C ATOM 1086 CD LYS A 69 -7.870 6.735 -1.764 1.00 1.00 C ATOM 1087 CE LYS A 69 -9.139 7.230 -2.467 1.00 1.00 C ATOM 1088 NZ LYS A 69 -8.815 7.572 -3.884 1.00 1.00 N ATOM 0 H LYS A 69 -7.267 5.784 1.898 1.00 1.00 H new ATOM 0 HA LYS A 69 -9.987 6.358 2.357 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -10.011 6.974 -0.026 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -8.556 7.580 0.740 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -7.318 5.541 -0.050 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -8.772 4.992 -0.861 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -7.263 7.586 -1.455 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -7.268 6.149 -2.458 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -9.911 6.461 -2.434 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -9.537 8.104 -1.951 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -9.409 8.368 -4.194 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -7.813 7.840 -3.956 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -8.998 6.747 -4.491 1.00 1.00 H new ATOM 1102 N LEU A 70 -9.320 3.493 0.870 1.00 1.00 N ATOM 1103 CA LEU A 70 -9.912 2.230 0.442 1.00 1.00 C ATOM 1104 C LEU A 70 -10.730 1.635 1.571 1.00 1.00 C ATOM 1105 O LEU A 70 -11.880 1.230 1.382 1.00 1.00 O ATOM 1106 CB LEU A 70 -8.798 1.249 0.011 1.00 1.00 C ATOM 1107 CG LEU A 70 -8.323 1.592 -1.416 1.00 1.00 C ATOM 1108 CD1 LEU A 70 -6.954 0.961 -1.694 1.00 1.00 C ATOM 1109 CD2 LEU A 70 -9.331 1.080 -2.470 1.00 1.00 C ATOM 0 H LEU A 70 -8.300 3.516 0.850 1.00 1.00 H new ATOM 0 HA LEU A 70 -10.569 2.411 -0.408 1.00 1.00 H new ATOM 0 HB2 LEU A 70 -7.961 1.307 0.707 1.00 1.00 H new ATOM 0 HB3 LEU A 70 -9.170 0.225 0.044 1.00 1.00 H new ATOM 0 HG LEU A 70 -8.248 2.677 -1.485 1.00 1.00 H new ATOM 0 HD11 LEU A 70 -6.635 1.214 -2.705 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -6.226 1.342 -0.978 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -7.026 -0.122 -1.597 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -8.974 1.334 -3.468 1.00 1.00 H new ATOM 0 HD22 LEU A 70 -9.429 -0.002 -2.384 1.00 1.00 H new ATOM 0 HD23 LEU A 70 -10.302 1.547 -2.302 1.00 1.00 H new ATOM 1121 N LYS A 71 -10.140 1.633 2.744 1.00 1.00 N ATOM 1122 CA LYS A 71 -10.790 1.129 3.946 1.00 1.00 C ATOM 1123 C LYS A 71 -11.900 2.067 4.396 1.00 1.00 C ATOM 1124 O LYS A 71 -12.830 1.661 5.089 1.00 1.00 O ATOM 1125 CB LYS A 71 -9.776 0.994 5.086 1.00 1.00 C ATOM 1126 CG LYS A 71 -10.410 0.214 6.239 1.00 1.00 C ATOM 1127 CD LYS A 71 -9.491 0.203 7.459 1.00 1.00 C ATOM 1128 CE LYS A 71 -8.118 -0.344 7.071 1.00 1.00 C ATOM 1129 NZ LYS A 71 -7.406 -0.803 8.296 1.00 1.00 N ATOM 0 H LYS A 71 -9.194 1.980 2.899 1.00 1.00 H new ATOM 0 HA LYS A 71 -11.213 0.153 3.706 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -8.882 0.480 4.733 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -9.463 1.980 5.428 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -11.367 0.663 6.504 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -10.614 -0.809 5.923 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -9.390 1.212 7.858 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -9.927 -0.410 8.248 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -8.228 -1.171 6.369 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -7.536 0.427 6.566 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -6.379 -0.757 8.138 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -7.661 -0.190 9.096 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -7.680 -1.783 8.510 1.00 1.00 H new ATOM 1143 N ASP A 72 -11.790 3.334 4.022 1.00 1.00 N ATOM 1144 CA ASP A 72 -12.780 4.323 4.425 1.00 1.00 C ATOM 1145 C ASP A 72 -14.150 4.060 3.824 1.00 1.00 C ATOM 1146 O ASP A 72 -15.150 3.934 4.545 1.00 1.00 O ATOM 1147 CB ASP A 72 -12.310 5.693 3.936 1.00 1.00 C ATOM 1148 CG ASP A 72 -13.100 6.800 4.613 1.00 1.00 C ATOM 1149 OD1 ASP A 72 -13.010 6.908 5.824 1.00 1.00 O ATOM 1150 OD2 ASP A 72 -13.790 7.527 3.910 1.00 1.00 O ATOM 0 H ASP A 72 -11.032 3.699 3.445 1.00 1.00 H new ATOM 0 HA ASP A 72 -12.873 4.275 5.510 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -11.248 5.816 4.146 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -12.431 5.761 2.855 1.00 1.00 H new ATOM 1155 N TYR A 73 -14.210 3.982 2.495 1.00 1.00 N ATOM 1156 CA TYR A 73 -15.490 3.747 1.854 1.00 1.00 C ATOM 1157 C TYR A 73 -15.880 2.283 1.962 1.00 1.00 C ATOM 1158 O TYR A 73 -17.060 1.963 2.050 1.00 1.00 O ATOM 1159 CB TYR A 73 -15.520 4.199 0.391 1.00 1.00 C ATOM 1160 CG TYR A 73 -14.770 3.229 -0.481 1.00 1.00 C ATOM 1161 CD1 TYR A 73 -15.390 2.041 -0.885 1.00 1.00 C ATOM 1162 CD2 TYR A 73 -13.470 3.517 -0.896 1.00 1.00 C ATOM 1163 CE1 TYR A 73 -14.710 1.143 -1.696 1.00 1.00 C ATOM 1164 CE2 TYR A 73 -12.790 2.618 -1.712 1.00 1.00 C ATOM 1165 CZ TYR A 73 -13.410 1.432 -2.110 1.00 1.00 C ATOM 1166 OH TYR A 73 -12.730 0.538 -2.887 1.00 1.00 O ATOM 0 H TYR A 73 -13.413 4.075 1.865 1.00 1.00 H new ATOM 0 HA TYR A 73 -16.220 4.357 2.387 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -16.553 4.278 0.051 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -15.078 5.192 0.303 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -16.398 1.823 -0.565 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -12.993 4.435 -0.585 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -15.186 0.224 -2.005 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -11.784 2.837 -2.037 1.00 1.00 H new ATOM 0 HH TYR A 73 -13.164 -0.339 -2.833 1.00 1.00 H new ATOM 1176 N LEU A 74 -14.870 1.403 1.979 1.00 1.00 N ATOM 1177 CA LEU A 74 -15.150 -0.033 2.098 1.00 1.00 C ATOM 1178 C LEU A 74 -15.890 -0.316 3.399 1.00 1.00 C ATOM 1179 O LEU A 74 -16.920 -0.994 3.406 1.00 1.00 O ATOM 1180 CB LEU A 74 -13.830 -0.821 2.105 1.00 1.00 C ATOM 1181 CG LEU A 74 -13.330 -1.049 0.669 1.00 1.00 C ATOM 1182 CD1 LEU A 74 -11.850 -1.513 0.684 1.00 1.00 C ATOM 1183 CD2 LEU A 74 -14.230 -2.101 -0.037 1.00 1.00 C ATOM 0 H LEU A 74 -13.882 1.649 1.914 1.00 1.00 H new ATOM 0 HA LEU A 74 -15.764 -0.338 1.251 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -13.078 -0.276 2.676 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -13.975 -1.780 2.602 1.00 1.00 H new ATOM 0 HG LEU A 74 -13.386 -0.112 0.115 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -11.508 -1.671 -0.339 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -11.234 -0.749 1.159 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -11.767 -2.445 1.243 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -13.873 -2.261 -1.055 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -14.191 -3.041 0.513 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -15.258 -1.740 -0.065 1.00 1.00 H new ATOM 1273 N PRO B 171 7.160 1.929 -7.915 1.00 1.00 N ATOM 1274 CA PRO B 171 5.986 2.120 -8.828 1.00 1.00 C ATOM 1275 C PRO B 171 5.081 3.255 -8.356 1.00 1.00 C ATOM 1276 O PRO B 171 5.245 3.778 -7.253 1.00 1.00 O ATOM 1277 CB PRO B 171 5.246 0.771 -8.777 1.00 1.00 C ATOM 1278 CG PRO B 171 5.660 0.164 -7.482 1.00 1.00 C ATOM 1279 CD PRO B 171 7.099 0.609 -7.258 1.00 1.00 C ATOM 0 HA PRO B 171 6.294 2.396 -9.837 1.00 1.00 H new ATOM 0 HB2 PRO B 171 4.166 0.909 -8.822 1.00 1.00 H new ATOM 0 HB3 PRO B 171 5.522 0.136 -9.619 1.00 1.00 H new ATOM 0 HG2 PRO B 171 5.016 0.499 -6.669 1.00 1.00 H new ATOM 0 HG3 PRO B 171 5.588 -0.923 -7.519 1.00 1.00 H new ATOM 0 HD2 PRO B 171 7.337 0.678 -6.196 1.00 1.00 H new ATOM 0 HD3 PRO B 171 7.809 -0.091 -7.699 1.00 1.00 H new ATOM 1287 N GLU B 172 4.115 3.621 -9.197 1.00 1.00 N ATOM 1288 CA GLU B 172 3.169 4.685 -8.861 1.00 1.00 C ATOM 1289 C GLU B 172 1.781 4.094 -8.656 1.00 1.00 C ATOM 1290 O GLU B 172 1.317 3.278 -9.452 1.00 1.00 O ATOM 1291 CB GLU B 172 3.120 5.726 -9.979 1.00 1.00 C ATOM 1292 CG GLU B 172 2.211 6.882 -9.552 1.00 1.00 C ATOM 1293 CD GLU B 172 2.202 7.959 -10.630 1.00 1.00 C ATOM 1294 OE1 GLU B 172 2.643 7.672 -11.730 1.00 1.00 O ATOM 1295 OE2 GLU B 172 1.749 9.056 -10.340 1.00 1.00 O ATOM 0 H GLU B 172 3.967 3.198 -10.113 1.00 1.00 H new ATOM 0 HA GLU B 172 3.499 5.168 -7.942 1.00 1.00 H new ATOM 0 HB2 GLU B 172 4.123 6.096 -10.192 1.00 1.00 H new ATOM 0 HB3 GLU B 172 2.746 5.273 -10.897 1.00 1.00 H new ATOM 0 HG2 GLU B 172 1.198 6.516 -9.382 1.00 1.00 H new ATOM 0 HG3 GLU B 172 2.561 7.302 -8.609 1.00 1.00 H new ATOM 1302 N VAL B 173 1.132 4.499 -7.573 1.00 1.00 N ATOM 1303 CA VAL B 173 -0.196 3.988 -7.258 1.00 1.00 C ATOM 1304 C VAL B 173 -1.205 4.365 -8.358 1.00 1.00 C ATOM 1305 O VAL B 173 -1.165 5.475 -8.886 1.00 1.00 O ATOM 1306 CB VAL B 173 -0.674 4.534 -5.879 1.00 1.00 C ATOM 1307 CG1 VAL B 173 -0.575 3.445 -4.803 1.00 1.00 C ATOM 1308 CG2 VAL B 173 0.205 5.712 -5.447 1.00 1.00 C ATOM 0 H VAL B 173 1.499 5.174 -6.902 1.00 1.00 H new ATOM 0 HA VAL B 173 -0.137 2.901 -7.205 1.00 1.00 H new ATOM 0 HB VAL B 173 -1.711 4.853 -5.987 1.00 1.00 H new ATOM 0 HG11 VAL B 173 -0.913 3.846 -3.847 1.00 1.00 H new ATOM 0 HG12 VAL B 173 -1.202 2.598 -5.084 1.00 1.00 H new ATOM 0 HG13 VAL B 173 0.460 3.116 -4.712 1.00 1.00 H new ATOM 0 HG21 VAL B 173 -0.137 6.087 -4.482 1.00 1.00 H new ATOM 0 HG22 VAL B 173 1.240 5.381 -5.362 1.00 1.00 H new ATOM 0 HG23 VAL B 173 0.138 6.507 -6.189 1.00 1.00 H new ATOM 1318 N PRO B 174 -2.111 3.472 -8.692 1.00 1.00 N ATOM 1319 CA PRO B 174 -3.148 3.748 -9.730 1.00 1.00 C ATOM 1320 C PRO B 174 -4.210 4.719 -9.219 1.00 1.00 C ATOM 1321 O PRO B 174 -4.446 4.814 -8.013 1.00 1.00 O ATOM 1322 CB PRO B 174 -3.740 2.364 -10.020 1.00 1.00 C ATOM 1323 CG PRO B 174 -3.567 1.598 -8.759 1.00 1.00 C ATOM 1324 CD PRO B 174 -2.273 2.113 -8.137 1.00 1.00 C ATOM 0 HA PRO B 174 -2.738 4.226 -10.620 1.00 1.00 H new ATOM 0 HB2 PRO B 174 -4.792 2.435 -10.297 1.00 1.00 H new ATOM 0 HB3 PRO B 174 -3.224 1.880 -10.849 1.00 1.00 H new ATOM 0 HG2 PRO B 174 -4.412 1.752 -8.088 1.00 1.00 H new ATOM 0 HG3 PRO B 174 -3.508 0.528 -8.956 1.00 1.00 H new ATOM 0 HD2 PRO B 174 -2.336 2.134 -7.049 1.00 1.00 H new ATOM 0 HD3 PRO B 174 -1.427 1.475 -8.395 1.00 1.00 H new