USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 72 ASN : amide:sc= 1.45 K(o=2.4,f=-5.5!) USER MOD Set 1.2: A 74 ASN : amide:sc= 0.944 K(o=2.4,f=0.63) USER MOD Set 2.1: A 42 HIS : no HE2:sc= 0.697 K(o=2.2,f=-6.1!) USER MOD Set 2.2: A 45 ASN : amide:sc= 1.45 K(o=2.2,f=-9!) USER MOD Set 3.1: A 24 THR OG1 : rot -70:sc= 2.18 USER MOD Set 3.2: A 25 LYS NZ :NH3+ 172:sc= 2.09 (180deg=0.686) USER MOD Set 4.1: A 13 THR OG1 : rot -140:sc= 0.863 USER MOD Set 4.2: A 69 LYS NZ :NH3+ -150:sc= 0.874! (180deg=-0.606) USER MOD Single : A 1 SER N :NH3+ 156:sc= -0.914 (180deg=-2.73!) USER MOD Single : A 1 SER OG : rot 89:sc= 1.33 USER MOD Single : A 5 ASN : amide:sc= 0.159 K(o=0.16,f=-3.3!) USER MOD Single : A 18 LYS NZ :NH3+ 144:sc= 0.844 (180deg=-1.81!) USER MOD Single : A 19 TYR OH : rot 162:sc= 0.949 USER MOD Single : A 20 ASN : amide:sc= 0.0303 K(o=0.03,f=-9.7!) USER MOD Single : A 21 GLN : amide:sc= 0.796 K(o=0.8,f=-6.5!) USER MOD Single : A 26 SER OG : rot 148:sc= 1.53 USER MOD Single : A 41 GLN : amide:sc= 2.11 K(o=2.1,f=-5.8!) USER MOD Single : A 47 GLN : amide:sc= 0.34 K(o=0.34,f=-4.5!) USER MOD Single : A 49 MET CE :methyl -162:sc= -0.0214 (180deg=-0.408) USER MOD Single : A 50 GLN : amide:sc= 2.01 K(o=2,f=0) USER MOD Single : A 57 THR OG1 : rot 125:sc= 0.923 USER MOD Single : A 61 LYS NZ :NH3+ -122:sc= 1.35 (180deg=-1.29) USER MOD Single : A 64 GLN : amide:sc= 0.568 K(o=0.57,f=-5.9!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 74:sc= 1 USER MOD Single : A 83 LYS NZ :NH3+ -169:sc= 3.63 (180deg=3.31) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.010 9.612 11.935 1.00 0.00 N ATOM 2 CA SER A 1 -1.115 9.353 12.854 1.00 0.00 C ATOM 3 C SER A 1 -2.155 8.529 12.105 1.00 0.00 C ATOM 4 O SER A 1 -2.434 8.830 10.949 1.00 0.00 O ATOM 5 CB SER A 1 -1.719 10.680 13.315 1.00 0.00 C ATOM 6 OG SER A 1 -0.685 11.614 13.577 1.00 0.00 O ATOM 0 H1 SER A 1 0.500 10.467 12.237 1.00 0.00 H new ATOM 0 H2 SER A 1 0.641 8.801 11.938 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.383 9.753 10.974 1.00 0.00 H new ATOM 0 HA SER A 1 -0.770 8.811 13.735 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.389 11.071 12.549 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.318 10.525 14.213 1.00 0.00 H new ATOM 0 HG SER A 1 -0.469 12.102 12.755 1.00 0.00 H new ATOM 14 N ALA A 2 -2.703 7.489 12.731 1.00 0.00 N ATOM 15 CA ALA A 2 -3.556 6.533 12.036 1.00 0.00 C ATOM 16 C ALA A 2 -4.977 7.091 11.873 1.00 0.00 C ATOM 17 O ALA A 2 -5.594 7.439 12.878 1.00 0.00 O ATOM 18 CB ALA A 2 -3.573 5.197 12.785 1.00 0.00 C ATOM 0 H ALA A 2 -2.569 7.289 13.722 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.149 6.362 11.039 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.214 4.491 12.256 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.560 4.797 12.839 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.957 5.350 13.793 1.00 0.00 H new ATOM 24 N PRO A 3 -5.514 7.184 10.645 1.00 0.00 N ATOM 25 CA PRO A 3 -6.901 7.558 10.429 1.00 0.00 C ATOM 26 C PRO A 3 -7.832 6.444 10.883 1.00 0.00 C ATOM 27 O PRO A 3 -7.432 5.288 10.999 1.00 0.00 O ATOM 28 CB PRO A 3 -7.053 7.810 8.926 1.00 0.00 C ATOM 29 CG PRO A 3 -5.881 7.063 8.283 1.00 0.00 C ATOM 30 CD PRO A 3 -4.842 6.889 9.393 1.00 0.00 C ATOM 0 HA PRO A 3 -7.163 8.446 11.004 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.009 7.438 8.557 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.016 8.875 8.698 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.200 6.097 7.891 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.469 7.627 7.446 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.446 5.873 9.396 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -3.997 7.560 9.240 1.00 0.00 H new ATOM 38 N ALA A 4 -9.104 6.790 11.092 1.00 0.00 N ATOM 39 CA ALA A 4 -10.126 5.791 11.344 1.00 0.00 C ATOM 40 C ALA A 4 -10.228 4.870 10.126 1.00 0.00 C ATOM 41 O ALA A 4 -10.204 3.647 10.237 1.00 0.00 O ATOM 42 CB ALA A 4 -11.462 6.479 11.641 1.00 0.00 C ATOM 0 H ALA A 4 -9.443 7.752 11.090 1.00 0.00 H new ATOM 0 HA ALA A 4 -9.863 5.190 12.214 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -12.226 5.725 11.829 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.356 7.115 12.520 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.756 7.087 10.786 1.00 0.00 H new ATOM 48 N ASN A 5 -10.265 5.476 8.939 1.00 0.00 N ATOM 49 CA ASN A 5 -10.287 4.805 7.643 1.00 0.00 C ATOM 50 C ASN A 5 -8.866 4.430 7.237 1.00 0.00 C ATOM 51 O ASN A 5 -8.432 4.690 6.119 1.00 0.00 O ATOM 52 CB ASN A 5 -10.967 5.679 6.574 1.00 0.00 C ATOM 53 CG ASN A 5 -10.628 7.162 6.691 1.00 0.00 C ATOM 54 OD1 ASN A 5 -10.941 7.809 7.687 1.00 0.00 O ATOM 55 ND2 ASN A 5 -9.941 7.703 5.697 1.00 0.00 N ATOM 0 H ASN A 5 -10.281 6.492 8.853 1.00 0.00 H new ATOM 0 HA ASN A 5 -10.877 3.892 7.728 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.673 5.325 5.586 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -12.047 5.555 6.649 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.658 8.682 5.746 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.695 7.141 4.882 1.00 0.00 H new ATOM 62 N ALA A 6 -8.140 3.789 8.142 1.00 0.00 N ATOM 63 CA ALA A 6 -6.864 3.171 7.834 1.00 0.00 C ATOM 64 C ALA A 6 -7.087 1.766 7.295 1.00 0.00 C ATOM 65 O ALA A 6 -7.840 0.990 7.880 1.00 0.00 O ATOM 66 CB ALA A 6 -6.027 3.116 9.106 1.00 0.00 C ATOM 0 H ALA A 6 -8.424 3.684 9.116 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.342 3.755 7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.064 2.653 8.888 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.867 4.127 9.480 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.550 2.528 9.860 1.00 0.00 H new ATOM 72 N VAL A 7 -6.405 1.416 6.204 1.00 0.00 N ATOM 73 CA VAL A 7 -6.303 0.030 5.798 1.00 0.00 C ATOM 74 C VAL A 7 -5.391 -0.669 6.795 1.00 0.00 C ATOM 75 O VAL A 7 -4.181 -0.424 6.837 1.00 0.00 O ATOM 76 CB VAL A 7 -5.778 -0.114 4.368 1.00 0.00 C ATOM 77 CG1 VAL A 7 -5.683 -1.594 3.978 1.00 0.00 C ATOM 78 CG2 VAL A 7 -6.723 0.579 3.385 1.00 0.00 C ATOM 0 H VAL A 7 -5.921 2.075 5.594 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.292 -0.428 5.797 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.790 0.345 4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.308 -1.678 2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.003 -2.107 4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.671 -2.051 4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.338 0.469 2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.712 0.125 3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.794 1.638 3.633 1.00 0.00 H new ATOM 88 N ALA A 8 -6.010 -1.538 7.587 1.00 0.00 N ATOM 89 CA ALA A 8 -5.346 -2.405 8.533 1.00 0.00 C ATOM 90 C ALA A 8 -4.674 -3.548 7.782 1.00 0.00 C ATOM 91 O ALA A 8 -5.206 -4.024 6.782 1.00 0.00 O ATOM 92 CB ALA A 8 -6.374 -2.971 9.517 1.00 0.00 C ATOM 0 H ALA A 8 -7.023 -1.656 7.582 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.594 -1.839 9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.873 -3.625 10.231 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.855 -2.152 10.051 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.126 -3.539 8.970 1.00 0.00 H new ATOM 98 N ALA A 9 -3.539 -4.034 8.287 1.00 0.00 N ATOM 99 CA ALA A 9 -2.906 -5.246 7.775 1.00 0.00 C ATOM 100 C ALA A 9 -3.927 -6.385 7.653 1.00 0.00 C ATOM 101 O ALA A 9 -3.932 -7.118 6.668 1.00 0.00 O ATOM 102 CB ALA A 9 -1.747 -5.642 8.694 1.00 0.00 C ATOM 0 H ALA A 9 -3.036 -3.599 9.060 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.514 -5.050 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.273 -6.547 8.313 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.015 -4.835 8.725 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.126 -5.827 9.699 1.00 0.00 H new ATOM 108 N ASP A 10 -4.801 -6.502 8.658 1.00 0.00 N ATOM 109 CA ASP A 10 -5.810 -7.548 8.766 1.00 0.00 C ATOM 110 C ASP A 10 -7.152 -7.148 8.121 1.00 0.00 C ATOM 111 O ASP A 10 -8.156 -7.829 8.315 1.00 0.00 O ATOM 112 CB ASP A 10 -5.964 -7.888 10.257 1.00 0.00 C ATOM 113 CG ASP A 10 -6.736 -9.180 10.497 1.00 0.00 C ATOM 114 OD1 ASP A 10 -6.331 -10.200 9.898 1.00 0.00 O ATOM 115 OD2 ASP A 10 -7.672 -9.136 11.324 1.00 0.00 O ATOM 0 H ASP A 10 -4.822 -5.848 9.441 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.486 -8.428 8.210 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.976 -7.973 10.709 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.475 -7.067 10.760 1.00 0.00 H new ATOM 120 N ASP A 11 -7.207 -6.051 7.349 1.00 0.00 N ATOM 121 CA ASP A 11 -8.415 -5.722 6.590 1.00 0.00 C ATOM 122 C ASP A 11 -8.735 -6.887 5.643 1.00 0.00 C ATOM 123 O ASP A 11 -7.840 -7.580 5.164 1.00 0.00 O ATOM 124 CB ASP A 11 -8.241 -4.375 5.865 1.00 0.00 C ATOM 125 CG ASP A 11 -9.317 -3.999 4.857 1.00 0.00 C ATOM 126 OD1 ASP A 11 -10.421 -4.587 4.834 1.00 0.00 O ATOM 127 OD2 ASP A 11 -9.045 -3.081 4.056 1.00 0.00 O ATOM 0 H ASP A 11 -6.440 -5.388 7.237 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.268 -5.595 7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.189 -3.588 6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.281 -4.387 5.349 1.00 0.00 H new ATOM 132 N ALA A 12 -10.012 -7.096 5.338 1.00 0.00 N ATOM 133 CA ALA A 12 -10.430 -8.175 4.455 1.00 0.00 C ATOM 134 C ALA A 12 -9.901 -7.863 3.060 1.00 0.00 C ATOM 135 O ALA A 12 -9.341 -8.713 2.365 1.00 0.00 O ATOM 136 CB ALA A 12 -11.956 -8.291 4.465 1.00 0.00 C ATOM 0 H ALA A 12 -10.779 -6.526 5.694 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.030 -9.133 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.264 -9.100 3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.298 -8.502 5.478 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -12.394 -7.354 4.121 1.00 0.00 H new ATOM 142 N THR A 13 -10.045 -6.596 2.674 1.00 0.00 N ATOM 143 CA THR A 13 -9.499 -6.112 1.428 1.00 0.00 C ATOM 144 C THR A 13 -7.968 -6.240 1.451 1.00 0.00 C ATOM 145 O THR A 13 -7.371 -6.692 0.476 1.00 0.00 O ATOM 146 CB THR A 13 -9.978 -4.673 1.230 1.00 0.00 C ATOM 147 OG1 THR A 13 -11.348 -4.539 1.585 1.00 0.00 O ATOM 148 CG2 THR A 13 -9.793 -4.229 -0.223 1.00 0.00 C ATOM 0 H THR A 13 -10.541 -5.889 3.218 1.00 0.00 H new ATOM 0 HA THR A 13 -9.845 -6.704 0.580 1.00 0.00 H new ATOM 0 HB THR A 13 -9.375 -4.039 1.880 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.796 -3.948 0.944 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.141 -3.202 -0.337 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.738 -4.286 -0.489 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.368 -4.882 -0.879 1.00 0.00 H new ATOM 156 N ALA A 14 -7.321 -5.889 2.571 1.00 0.00 N ATOM 157 CA ALA A 14 -5.873 -6.024 2.682 1.00 0.00 C ATOM 158 C ALA A 14 -5.448 -7.466 2.452 1.00 0.00 C ATOM 159 O ALA A 14 -4.515 -7.720 1.699 1.00 0.00 O ATOM 160 CB ALA A 14 -5.363 -5.573 4.046 1.00 0.00 C ATOM 0 H ALA A 14 -7.777 -5.514 3.402 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.438 -5.382 1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.280 -5.690 4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.621 -4.526 4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.823 -6.180 4.825 1.00 0.00 H new ATOM 166 N ILE A 15 -6.135 -8.408 3.093 1.00 0.00 N ATOM 167 CA ILE A 15 -5.889 -9.828 2.948 1.00 0.00 C ATOM 168 C ILE A 15 -5.978 -10.194 1.465 1.00 0.00 C ATOM 169 O ILE A 15 -5.029 -10.754 0.920 1.00 0.00 O ATOM 170 CB ILE A 15 -6.846 -10.600 3.867 1.00 0.00 C ATOM 171 CG1 ILE A 15 -6.303 -10.476 5.300 1.00 0.00 C ATOM 172 CG2 ILE A 15 -6.971 -12.074 3.458 1.00 0.00 C ATOM 173 CD1 ILE A 15 -7.311 -10.936 6.348 1.00 0.00 C ATOM 0 H ILE A 15 -6.894 -8.194 3.740 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.885 -10.109 3.267 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.848 -10.178 3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.392 -11.067 5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.030 -9.438 5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.658 -12.582 4.135 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.352 -12.138 2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.992 -12.550 3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.877 -10.828 7.342 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.213 -10.328 6.277 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.564 -11.982 6.175 1.00 0.00 H new ATOM 185 N ALA A 16 -7.073 -9.824 0.793 1.00 0.00 N ATOM 186 CA ALA A 16 -7.219 -10.064 -0.642 1.00 0.00 C ATOM 187 C ALA A 16 -6.042 -9.497 -1.454 1.00 0.00 C ATOM 188 O ALA A 16 -5.592 -10.119 -2.414 1.00 0.00 O ATOM 189 CB ALA A 16 -8.554 -9.496 -1.132 1.00 0.00 C ATOM 0 H ALA A 16 -7.871 -9.357 1.223 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.211 -11.142 -0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.656 -9.678 -2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.373 -9.982 -0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.585 -8.423 -0.942 1.00 0.00 H new ATOM 195 N LEU A 17 -5.541 -8.323 -1.067 1.00 0.00 N ATOM 196 CA LEU A 17 -4.424 -7.638 -1.722 1.00 0.00 C ATOM 197 C LEU A 17 -3.066 -8.151 -1.235 1.00 0.00 C ATOM 198 O LEU A 17 -2.044 -7.832 -1.839 1.00 0.00 O ATOM 199 CB LEU A 17 -4.600 -6.126 -1.543 1.00 0.00 C ATOM 200 CG LEU A 17 -5.865 -5.576 -2.223 1.00 0.00 C ATOM 201 CD1 LEU A 17 -6.006 -4.097 -1.857 1.00 0.00 C ATOM 202 CD2 LEU A 17 -5.829 -5.718 -3.750 1.00 0.00 C ATOM 0 H LEU A 17 -5.910 -7.808 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.436 -7.860 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.639 -5.895 -0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.727 -5.615 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.715 -6.159 -1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.899 -3.688 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.091 -3.996 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.129 -3.551 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.747 -5.313 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.974 -5.171 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.740 -6.771 -4.015 1.00 0.00 H new ATOM 214 N LYS A 18 -3.039 -8.955 -0.167 1.00 0.00 N ATOM 215 CA LYS A 18 -1.845 -9.277 0.583 1.00 0.00 C ATOM 216 C LYS A 18 -1.062 -8.001 0.882 1.00 0.00 C ATOM 217 O LYS A 18 0.143 -7.920 0.661 1.00 0.00 O ATOM 218 CB LYS A 18 -1.056 -10.365 -0.146 1.00 0.00 C ATOM 219 CG LYS A 18 -1.867 -11.665 -0.268 1.00 0.00 C ATOM 220 CD LYS A 18 -2.237 -12.363 1.055 1.00 0.00 C ATOM 221 CE LYS A 18 -1.064 -12.879 1.907 1.00 0.00 C ATOM 222 NZ LYS A 18 -0.372 -11.822 2.675 1.00 0.00 N ATOM 0 H LYS A 18 -3.876 -9.407 0.201 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.093 -9.699 1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.781 -10.012 -1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.128 -10.563 0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.788 -11.445 -0.808 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.299 -12.367 -0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.817 -11.665 1.659 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.890 -13.205 0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.435 -13.634 2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.343 -13.372 1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.072 -12.202 3.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.462 -11.498 2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.019 -11.022 2.825 1.00 0.00 H new ATOM 236 N TYR A 19 -1.784 -7.008 1.403 1.00 0.00 N ATOM 237 CA TYR A 19 -1.199 -5.756 1.836 1.00 0.00 C ATOM 238 C TYR A 19 -0.491 -5.948 3.175 1.00 0.00 C ATOM 239 O TYR A 19 -0.958 -6.712 4.019 1.00 0.00 O ATOM 240 CB TYR A 19 -2.268 -4.656 1.898 1.00 0.00 C ATOM 241 CG TYR A 19 -1.968 -3.474 2.808 1.00 0.00 C ATOM 242 CD1 TYR A 19 -1.272 -2.339 2.346 1.00 0.00 C ATOM 243 CD2 TYR A 19 -2.444 -3.491 4.130 1.00 0.00 C ATOM 244 CE1 TYR A 19 -1.166 -1.201 3.171 1.00 0.00 C ATOM 245 CE2 TYR A 19 -2.438 -2.321 4.899 1.00 0.00 C ATOM 246 CZ TYR A 19 -1.868 -1.148 4.386 1.00 0.00 C ATOM 247 OH TYR A 19 -2.033 0.036 5.046 1.00 0.00 O ATOM 0 H TYR A 19 -2.794 -7.058 1.533 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.452 -5.435 1.110 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.429 -4.278 0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.205 -5.108 2.222 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.822 -2.341 1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.816 -4.411 4.555 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.545 -0.370 2.869 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.873 -2.322 5.888 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.764 -0.049 5.693 1.00 0.00 H new ATOM 257 N ASN A 20 0.593 -5.200 3.396 1.00 0.00 N ATOM 258 CA ASN A 20 1.091 -4.913 4.735 1.00 0.00 C ATOM 259 C ASN A 20 1.286 -3.403 4.853 1.00 0.00 C ATOM 260 O ASN A 20 1.729 -2.772 3.896 1.00 0.00 O ATOM 261 CB ASN A 20 2.347 -5.727 5.065 1.00 0.00 C ATOM 262 CG ASN A 20 2.714 -5.673 6.537 1.00 0.00 C ATOM 263 OD1 ASN A 20 2.353 -4.751 7.266 1.00 0.00 O ATOM 264 ND2 ASN A 20 3.464 -6.660 6.997 1.00 0.00 N ATOM 0 H ASN A 20 1.146 -4.779 2.650 1.00 0.00 H new ATOM 0 HA ASN A 20 0.365 -5.226 5.486 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.189 -6.765 4.773 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.182 -5.353 4.473 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.755 -6.667 7.975 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.752 -7.415 6.374 1.00 0.00 H new ATOM 271 N GLN A 21 0.928 -2.844 6.014 1.00 0.00 N ATOM 272 CA GLN A 21 1.160 -1.462 6.420 1.00 0.00 C ATOM 273 C GLN A 21 2.650 -1.135 6.424 1.00 0.00 C ATOM 274 O GLN A 21 3.043 -0.041 6.026 1.00 0.00 O ATOM 275 CB GLN A 21 0.646 -1.278 7.852 1.00 0.00 C ATOM 276 CG GLN A 21 -0.875 -1.138 7.923 1.00 0.00 C ATOM 277 CD GLN A 21 -1.379 -1.200 9.360 1.00 0.00 C ATOM 278 OE1 GLN A 21 -2.102 -2.119 9.734 1.00 0.00 O ATOM 279 NE2 GLN A 21 -0.991 -0.231 10.183 1.00 0.00 N ATOM 0 H GLN A 21 0.441 -3.378 6.734 1.00 0.00 H new ATOM 0 HA GLN A 21 0.645 -0.808 5.717 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.956 -2.130 8.457 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.108 -0.392 8.288 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.175 -0.192 7.472 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.341 -1.931 7.339 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.390 0.519 9.841 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.294 -0.237 11.157 1.00 0.00 H new ATOM 288 N ASP A 22 3.459 -2.066 6.936 1.00 0.00 N ATOM 289 CA ASP A 22 4.909 -1.958 6.936 1.00 0.00 C ATOM 290 C ASP A 22 5.464 -2.910 5.883 1.00 0.00 C ATOM 291 O ASP A 22 5.534 -4.124 6.090 1.00 0.00 O ATOM 292 CB ASP A 22 5.475 -2.260 8.325 1.00 0.00 C ATOM 293 CG ASP A 22 6.988 -2.090 8.369 1.00 0.00 C ATOM 294 OD1 ASP A 22 7.632 -2.064 7.293 1.00 0.00 O ATOM 295 OD2 ASP A 22 7.519 -2.051 9.500 1.00 0.00 O ATOM 0 H ASP A 22 3.115 -2.924 7.366 1.00 0.00 H new ATOM 0 HA ASP A 22 5.208 -0.939 6.689 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.013 -1.598 9.057 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.215 -3.280 8.609 1.00 0.00 H new ATOM 300 N ALA A 23 5.883 -2.350 4.750 1.00 0.00 N ATOM 301 CA ALA A 23 6.464 -3.111 3.666 1.00 0.00 C ATOM 302 C ALA A 23 7.663 -3.954 4.109 1.00 0.00 C ATOM 303 O ALA A 23 7.888 -5.008 3.521 1.00 0.00 O ATOM 304 CB ALA A 23 6.831 -2.167 2.525 1.00 0.00 C ATOM 0 H ALA A 23 5.825 -1.349 4.565 1.00 0.00 H new ATOM 0 HA ALA A 23 5.718 -3.824 3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.269 -2.738 1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.935 -1.657 2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.552 -1.430 2.880 1.00 0.00 H new ATOM 310 N THR A 24 8.422 -3.565 5.144 1.00 0.00 N ATOM 311 CA THR A 24 9.557 -4.388 5.564 1.00 0.00 C ATOM 312 C THR A 24 9.104 -5.723 6.172 1.00 0.00 C ATOM 313 O THR A 24 9.935 -6.601 6.392 1.00 0.00 O ATOM 314 CB THR A 24 10.530 -3.626 6.484 1.00 0.00 C ATOM 315 OG1 THR A 24 9.929 -3.232 7.699 1.00 0.00 O ATOM 316 CG2 THR A 24 11.098 -2.381 5.799 1.00 0.00 C ATOM 0 H THR A 24 8.276 -2.714 5.688 1.00 0.00 H new ATOM 0 HA THR A 24 10.118 -4.628 4.661 1.00 0.00 H new ATOM 0 HB THR A 24 11.335 -4.328 6.700 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.272 -2.526 7.525 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.780 -1.870 6.479 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.637 -2.675 4.898 1.00 0.00 H new ATOM 0 HG23 THR A 24 10.283 -1.709 5.531 1.00 0.00 H new ATOM 324 N LYS A 25 7.802 -5.887 6.450 1.00 0.00 N ATOM 325 CA LYS A 25 7.206 -7.136 6.887 1.00 0.00 C ATOM 326 C LYS A 25 6.212 -7.649 5.835 1.00 0.00 C ATOM 327 O LYS A 25 5.382 -8.508 6.131 1.00 0.00 O ATOM 328 CB LYS A 25 6.535 -6.913 8.249 1.00 0.00 C ATOM 329 CG LYS A 25 7.537 -6.651 9.387 1.00 0.00 C ATOM 330 CD LYS A 25 7.809 -5.152 9.559 1.00 0.00 C ATOM 331 CE LYS A 25 8.983 -4.874 10.505 1.00 0.00 C ATOM 332 NZ LYS A 25 9.474 -3.494 10.326 1.00 0.00 N ATOM 0 H LYS A 25 7.125 -5.128 6.372 1.00 0.00 H new ATOM 0 HA LYS A 25 7.974 -7.901 6.999 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.851 -6.067 8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.934 -7.788 8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.147 -7.061 10.319 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.472 -7.170 9.177 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.019 -4.710 8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.913 -4.665 9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.669 -5.024 11.538 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.789 -5.581 10.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.175 -3.277 11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.916 -3.402 9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.677 -2.830 10.400 1.00 0.00 H new ATOM 346 N SER A 26 6.271 -7.131 4.605 1.00 0.00 N ATOM 347 CA SER A 26 5.588 -7.735 3.474 1.00 0.00 C ATOM 348 C SER A 26 6.398 -8.916 2.931 1.00 0.00 C ATOM 349 O SER A 26 7.619 -8.988 3.061 1.00 0.00 O ATOM 350 CB SER A 26 5.352 -6.691 2.376 1.00 0.00 C ATOM 351 OG SER A 26 4.891 -7.293 1.183 1.00 0.00 O ATOM 0 H SER A 26 6.792 -6.286 4.373 1.00 0.00 H new ATOM 0 HA SER A 26 4.620 -8.108 3.809 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.623 -5.957 2.720 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.279 -6.152 2.179 1.00 0.00 H new ATOM 0 HG SER A 26 4.289 -6.676 0.717 1.00 0.00 H new ATOM 357 N GLU A 27 5.681 -9.791 2.236 1.00 0.00 N ATOM 358 CA GLU A 27 6.158 -10.836 1.355 1.00 0.00 C ATOM 359 C GLU A 27 6.727 -10.275 0.041 1.00 0.00 C ATOM 360 O GLU A 27 7.105 -11.052 -0.835 1.00 0.00 O ATOM 361 CB GLU A 27 5.003 -11.818 1.094 1.00 0.00 C ATOM 362 CG GLU A 27 3.774 -11.194 0.406 1.00 0.00 C ATOM 363 CD GLU A 27 2.852 -10.431 1.351 1.00 0.00 C ATOM 364 OE1 GLU A 27 3.146 -9.240 1.603 1.00 0.00 O ATOM 365 OE2 GLU A 27 1.900 -11.067 1.853 1.00 0.00 O ATOM 0 H GLU A 27 4.662 -9.781 2.283 1.00 0.00 H new ATOM 0 HA GLU A 27 6.984 -11.357 1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.372 -12.637 0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.690 -12.251 2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.114 -10.517 -0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.203 -11.985 -0.081 1.00 0.00 H new ATOM 372 N ARG A 28 6.803 -8.949 -0.128 1.00 0.00 N ATOM 373 CA ARG A 28 7.284 -8.304 -1.340 1.00 0.00 C ATOM 374 C ARG A 28 8.591 -8.905 -1.862 1.00 0.00 C ATOM 375 O ARG A 28 8.748 -9.085 -3.064 1.00 0.00 O ATOM 376 CB ARG A 28 7.398 -6.794 -1.104 1.00 0.00 C ATOM 377 CG ARG A 28 8.346 -6.416 0.034 1.00 0.00 C ATOM 378 CD ARG A 28 8.467 -4.896 0.128 1.00 0.00 C ATOM 379 NE ARG A 28 9.527 -4.521 1.083 1.00 0.00 N ATOM 380 CZ ARG A 28 9.945 -3.276 1.356 1.00 0.00 C ATOM 381 NH1 ARG A 28 9.526 -2.234 0.641 1.00 0.00 N ATOM 382 NH2 ARG A 28 10.867 -3.048 2.292 1.00 0.00 N ATOM 0 H ARG A 28 6.524 -8.286 0.595 1.00 0.00 H new ATOM 0 HA ARG A 28 6.554 -8.486 -2.129 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.740 -6.317 -2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.408 -6.394 -0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 28 7.975 -6.819 0.977 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.328 -6.858 -0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.691 -4.482 -0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.516 -4.468 0.445 1.00 0.00 H new ATOM 0 HE ARG A 28 9.986 -5.282 1.584 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.875 -2.374 -0.131 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.856 -1.295 0.866 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.267 -3.827 2.814 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.172 -2.094 2.485 1.00 0.00 H new ATOM 396 N VAL A 29 9.518 -9.236 -0.962 1.00 0.00 N ATOM 397 CA VAL A 29 10.779 -9.903 -1.273 1.00 0.00 C ATOM 398 C VAL A 29 10.534 -11.237 -1.982 1.00 0.00 C ATOM 399 O VAL A 29 11.212 -11.559 -2.953 1.00 0.00 O ATOM 400 CB VAL A 29 11.594 -10.032 0.027 1.00 0.00 C ATOM 401 CG1 VAL A 29 12.252 -11.398 0.248 1.00 0.00 C ATOM 402 CG2 VAL A 29 12.670 -8.944 0.105 1.00 0.00 C ATOM 0 H VAL A 29 9.407 -9.041 0.033 1.00 0.00 H new ATOM 0 HA VAL A 29 11.365 -9.312 -1.977 1.00 0.00 H new ATOM 0 HB VAL A 29 10.857 -9.913 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.802 -11.389 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.484 -12.170 0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.939 -11.608 -0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 29 13.233 -9.055 1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.346 -9.040 -0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.197 -7.962 0.083 1.00 0.00 H new ATOM 412 N ALA A 30 9.564 -12.010 -1.494 1.00 0.00 N ATOM 413 CA ALA A 30 9.191 -13.286 -2.088 1.00 0.00 C ATOM 414 C ALA A 30 8.523 -13.054 -3.442 1.00 0.00 C ATOM 415 O ALA A 30 8.835 -13.731 -4.417 1.00 0.00 O ATOM 416 CB ALA A 30 8.267 -14.063 -1.143 1.00 0.00 C ATOM 0 H ALA A 30 9.014 -11.764 -0.671 1.00 0.00 H new ATOM 0 HA ALA A 30 10.089 -13.883 -2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.996 -15.015 -1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.782 -14.247 -0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.365 -13.481 -0.956 1.00 0.00 H new ATOM 422 N ALA A 31 7.591 -12.097 -3.496 1.00 0.00 N ATOM 423 CA ALA A 31 6.877 -11.766 -4.723 1.00 0.00 C ATOM 424 C ALA A 31 7.833 -11.273 -5.817 1.00 0.00 C ATOM 425 O ALA A 31 7.654 -11.603 -6.986 1.00 0.00 O ATOM 426 CB ALA A 31 5.803 -10.719 -4.423 1.00 0.00 C ATOM 0 H ALA A 31 7.315 -11.535 -2.691 1.00 0.00 H new ATOM 0 HA ALA A 31 6.400 -12.671 -5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.269 -10.472 -5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.101 -11.118 -3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.273 -9.820 -4.023 1.00 0.00 H new ATOM 432 N ALA A 32 8.813 -10.451 -5.426 1.00 0.00 N ATOM 433 CA ALA A 32 9.795 -9.789 -6.278 1.00 0.00 C ATOM 434 C ALA A 32 9.190 -9.308 -7.599 1.00 0.00 C ATOM 435 O ALA A 32 9.677 -9.638 -8.679 1.00 0.00 O ATOM 436 CB ALA A 32 11.020 -10.687 -6.478 1.00 0.00 C ATOM 0 H ALA A 32 8.946 -10.218 -4.442 1.00 0.00 H new ATOM 0 HA ALA A 32 10.130 -8.886 -5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.743 -10.179 -7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.476 -10.901 -5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.714 -11.621 -6.949 1.00 0.00 H new ATOM 442 N ARG A 33 8.125 -8.505 -7.509 1.00 0.00 N ATOM 443 CA ARG A 33 7.494 -7.935 -8.692 1.00 0.00 C ATOM 444 C ARG A 33 8.510 -7.092 -9.471 1.00 0.00 C ATOM 445 O ARG A 33 9.376 -6.481 -8.847 1.00 0.00 O ATOM 446 CB ARG A 33 6.267 -7.120 -8.301 1.00 0.00 C ATOM 447 CG ARG A 33 5.151 -8.142 -8.109 1.00 0.00 C ATOM 448 CD ARG A 33 3.897 -7.502 -7.555 1.00 0.00 C ATOM 449 NE ARG A 33 3.391 -6.406 -8.398 1.00 0.00 N ATOM 450 CZ ARG A 33 2.580 -6.504 -9.461 1.00 0.00 C ATOM 451 NH1 ARG A 33 2.192 -7.703 -9.904 1.00 0.00 N ATOM 452 NH2 ARG A 33 2.176 -5.389 -10.079 1.00 0.00 N ATOM 0 H ARG A 33 7.686 -8.238 -6.628 1.00 0.00 H new ATOM 0 HA ARG A 33 7.156 -8.741 -9.343 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.445 -6.555 -7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.011 -6.398 -9.076 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.926 -8.619 -9.063 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.489 -8.927 -7.432 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.122 -8.262 -7.453 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.102 -7.119 -6.555 1.00 0.00 H new ATOM 0 HE ARG A 33 3.692 -5.465 -8.144 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.513 -8.549 -9.433 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.575 -7.773 -10.713 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.485 -4.478 -9.740 1.00 0.00 H new ATOM 0 HH22 ARG A 33 1.559 -5.450 -10.889 1.00 0.00 H new ATOM 466 N PRO A 34 8.425 -7.036 -10.808 1.00 0.00 N ATOM 467 CA PRO A 34 9.282 -6.170 -11.600 1.00 0.00 C ATOM 468 C PRO A 34 8.960 -4.701 -11.304 1.00 0.00 C ATOM 469 O PRO A 34 7.913 -4.393 -10.737 1.00 0.00 O ATOM 470 CB PRO A 34 8.992 -6.544 -13.057 1.00 0.00 C ATOM 471 CG PRO A 34 7.542 -7.028 -13.010 1.00 0.00 C ATOM 472 CD PRO A 34 7.452 -7.716 -11.647 1.00 0.00 C ATOM 0 HA PRO A 34 10.340 -6.297 -11.372 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.110 -5.690 -13.723 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.665 -7.323 -13.415 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.838 -6.200 -13.091 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.320 -7.717 -13.825 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.448 -7.634 -11.231 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.677 -8.779 -11.728 1.00 0.00 H new ATOM 480 N GLY A 35 9.871 -3.803 -11.691 1.00 0.00 N ATOM 481 CA GLY A 35 9.742 -2.363 -11.514 1.00 0.00 C ATOM 482 C GLY A 35 11.002 -1.823 -10.846 1.00 0.00 C ATOM 483 O GLY A 35 11.770 -1.092 -11.463 1.00 0.00 O ATOM 0 H GLY A 35 10.742 -4.071 -12.149 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.592 -1.878 -12.479 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.868 -2.137 -10.904 1.00 0.00 H new ATOM 487 N LEU A 36 11.223 -2.219 -9.591 1.00 0.00 N ATOM 488 CA LEU A 36 12.368 -1.861 -8.758 1.00 0.00 C ATOM 489 C LEU A 36 12.505 -3.001 -7.738 1.00 0.00 C ATOM 490 O LEU A 36 11.586 -3.816 -7.637 1.00 0.00 O ATOM 491 CB LEU A 36 12.116 -0.487 -8.104 1.00 0.00 C ATOM 492 CG LEU A 36 13.190 0.590 -8.333 1.00 0.00 C ATOM 493 CD1 LEU A 36 13.448 0.904 -9.811 1.00 0.00 C ATOM 494 CD2 LEU A 36 12.751 1.873 -7.619 1.00 0.00 C ATOM 0 H LEU A 36 10.570 -2.832 -9.103 1.00 0.00 H new ATOM 0 HA LEU A 36 13.297 -1.756 -9.319 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.164 -0.103 -8.472 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.006 -0.636 -7.030 1.00 0.00 H new ATOM 0 HG LEU A 36 14.125 0.198 -7.933 1.00 0.00 H new ATOM 0 HD11 LEU A 36 14.217 1.672 -9.891 1.00 0.00 H new ATOM 0 HD12 LEU A 36 13.782 0.001 -10.322 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.528 1.262 -10.273 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.502 2.649 -7.771 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.796 2.207 -8.025 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.642 1.677 -6.552 1.00 0.00 H new ATOM 506 N PRO A 37 13.625 -3.121 -7.012 1.00 0.00 N ATOM 507 CA PRO A 37 13.885 -4.268 -6.159 1.00 0.00 C ATOM 508 C PRO A 37 12.953 -4.204 -4.945 1.00 0.00 C ATOM 509 O PRO A 37 12.527 -3.111 -4.564 1.00 0.00 O ATOM 510 CB PRO A 37 15.373 -4.178 -5.808 1.00 0.00 C ATOM 511 CG PRO A 37 15.681 -2.683 -5.883 1.00 0.00 C ATOM 512 CD PRO A 37 14.642 -2.105 -6.848 1.00 0.00 C ATOM 0 HA PRO A 37 13.686 -5.231 -6.629 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.573 -4.577 -4.814 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.984 -4.747 -6.509 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.608 -2.216 -4.901 1.00 0.00 H new ATOM 0 HG3 PRO A 37 16.694 -2.508 -6.245 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.212 -1.186 -6.450 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.099 -1.855 -7.806 1.00 0.00 H new ATOM 520 N PRO A 38 12.593 -5.359 -4.354 1.00 0.00 N ATOM 521 CA PRO A 38 11.457 -5.474 -3.455 1.00 0.00 C ATOM 522 C PRO A 38 11.515 -4.432 -2.348 1.00 0.00 C ATOM 523 O PRO A 38 10.523 -3.764 -2.076 1.00 0.00 O ATOM 524 CB PRO A 38 11.435 -6.918 -2.941 1.00 0.00 C ATOM 525 CG PRO A 38 12.815 -7.474 -3.291 1.00 0.00 C ATOM 526 CD PRO A 38 13.274 -6.636 -4.483 1.00 0.00 C ATOM 0 HA PRO A 38 10.520 -5.267 -3.972 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.254 -6.953 -1.867 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.643 -7.496 -3.417 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.505 -7.382 -2.452 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.763 -8.532 -3.546 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.356 -6.505 -4.475 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.019 -7.122 -5.425 1.00 0.00 H new ATOM 534 N GLU A 39 12.680 -4.228 -1.740 1.00 0.00 N ATOM 535 CA GLU A 39 12.760 -3.339 -0.602 1.00 0.00 C ATOM 536 C GLU A 39 12.416 -1.872 -0.914 1.00 0.00 C ATOM 537 O GLU A 39 11.883 -1.170 -0.044 1.00 0.00 O ATOM 538 CB GLU A 39 14.025 -3.611 0.210 1.00 0.00 C ATOM 539 CG GLU A 39 14.000 -5.058 0.751 1.00 0.00 C ATOM 540 CD GLU A 39 12.828 -5.281 1.706 1.00 0.00 C ATOM 541 OE1 GLU A 39 12.852 -4.678 2.802 1.00 0.00 O ATOM 542 OE2 GLU A 39 11.811 -5.873 1.286 1.00 0.00 O ATOM 0 H GLU A 39 13.562 -4.660 -2.015 1.00 0.00 H new ATOM 0 HA GLU A 39 11.943 -3.578 0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.907 -3.461 -0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.096 -2.905 1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.929 -5.757 -0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.936 -5.270 1.267 1.00 0.00 H new ATOM 549 N GLU A 40 12.593 -1.431 -2.163 1.00 0.00 N ATOM 550 CA GLU A 40 12.155 -0.110 -2.600 1.00 0.00 C ATOM 551 C GLU A 40 10.654 -0.068 -2.917 1.00 0.00 C ATOM 552 O GLU A 40 10.092 1.017 -3.077 1.00 0.00 O ATOM 553 CB GLU A 40 12.960 0.327 -3.826 1.00 0.00 C ATOM 554 CG GLU A 40 14.459 0.436 -3.522 1.00 0.00 C ATOM 555 CD GLU A 40 15.206 1.026 -4.711 1.00 0.00 C ATOM 556 OE1 GLU A 40 14.869 2.175 -5.067 1.00 0.00 O ATOM 557 OE2 GLU A 40 16.074 0.311 -5.253 1.00 0.00 O ATOM 0 H GLU A 40 13.043 -1.981 -2.895 1.00 0.00 H new ATOM 0 HA GLU A 40 12.332 0.580 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.805 -0.388 -4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.591 1.290 -4.177 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.613 1.061 -2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.860 -0.550 -3.286 1.00 0.00 H new ATOM 564 N GLN A 41 9.987 -1.218 -3.031 1.00 0.00 N ATOM 565 CA GLN A 41 8.580 -1.274 -3.394 1.00 0.00 C ATOM 566 C GLN A 41 7.727 -0.905 -2.190 1.00 0.00 C ATOM 567 O GLN A 41 7.752 -1.616 -1.186 1.00 0.00 O ATOM 568 CB GLN A 41 8.188 -2.680 -3.863 1.00 0.00 C ATOM 569 CG GLN A 41 9.032 -3.153 -5.044 1.00 0.00 C ATOM 570 CD GLN A 41 8.523 -4.462 -5.638 1.00 0.00 C ATOM 571 OE1 GLN A 41 7.488 -4.994 -5.235 1.00 0.00 O ATOM 572 NE2 GLN A 41 9.267 -4.983 -6.603 1.00 0.00 N ATOM 0 H GLN A 41 10.411 -2.132 -2.873 1.00 0.00 H new ATOM 0 HA GLN A 41 8.413 -0.569 -4.209 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.300 -3.381 -3.036 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.135 -2.686 -4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.034 -2.384 -5.816 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.065 -3.282 -4.720 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.117 -4.507 -6.905 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.989 -5.860 -7.044 1.00 0.00 H new ATOM 581 N HIS A 42 6.943 0.167 -2.279 1.00 0.00 N ATOM 582 CA HIS A 42 5.896 0.436 -1.308 1.00 0.00 C ATOM 583 C HIS A 42 4.882 1.416 -1.900 1.00 0.00 C ATOM 584 O HIS A 42 5.146 2.007 -2.949 1.00 0.00 O ATOM 585 CB HIS A 42 6.481 0.870 0.055 1.00 0.00 C ATOM 586 CG HIS A 42 7.837 1.528 0.036 1.00 0.00 C ATOM 587 ND1 HIS A 42 8.271 2.454 -0.887 1.00 0.00 N ATOM 588 CD2 HIS A 42 8.892 1.216 0.849 1.00 0.00 C ATOM 589 CE1 HIS A 42 9.574 2.691 -0.657 1.00 0.00 C ATOM 590 NE2 HIS A 42 9.973 1.951 0.397 1.00 0.00 N ATOM 0 H HIS A 42 7.017 0.864 -3.020 1.00 0.00 H new ATOM 0 HA HIS A 42 5.352 -0.483 -1.092 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.777 1.558 0.523 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.540 -0.010 0.695 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.703 2.884 -1.617 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.883 0.529 1.682 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.199 3.365 -1.224 1.00 0.00 H new ATOM 599 N CYS A 43 3.725 1.561 -1.248 1.00 0.00 N ATOM 600 CA CYS A 43 2.614 2.405 -1.670 1.00 0.00 C ATOM 601 C CYS A 43 3.117 3.810 -2.032 1.00 0.00 C ATOM 602 O CYS A 43 2.696 4.395 -3.028 1.00 0.00 O ATOM 603 CB CYS A 43 1.540 2.420 -0.609 1.00 0.00 C ATOM 604 SG CYS A 43 0.851 0.765 -0.274 1.00 0.00 S ATOM 0 H CYS A 43 3.533 1.070 -0.375 1.00 0.00 H new ATOM 0 HA CYS A 43 2.163 1.992 -2.572 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.953 2.830 0.313 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.736 3.086 -0.922 1.00 0.00 H new ATOM 609 N ALA A 44 4.082 4.325 -1.261 1.00 0.00 N ATOM 610 CA ALA A 44 4.811 5.566 -1.512 1.00 0.00 C ATOM 611 C ALA A 44 5.095 5.805 -3.000 1.00 0.00 C ATOM 612 O ALA A 44 4.900 6.911 -3.500 1.00 0.00 O ATOM 613 CB ALA A 44 6.134 5.546 -0.739 1.00 0.00 C ATOM 0 H ALA A 44 4.388 3.863 -0.405 1.00 0.00 H new ATOM 0 HA ALA A 44 4.175 6.383 -1.172 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.679 6.472 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.931 5.454 0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.735 4.699 -1.069 1.00 0.00 H new ATOM 619 N ASN A 45 5.585 4.775 -3.695 1.00 0.00 N ATOM 620 CA ASN A 45 5.979 4.829 -5.099 1.00 0.00 C ATOM 621 C ASN A 45 5.116 3.891 -5.948 1.00 0.00 C ATOM 622 O ASN A 45 5.521 3.523 -7.050 1.00 0.00 O ATOM 623 CB ASN A 45 7.495 4.578 -5.247 1.00 0.00 C ATOM 624 CG ASN A 45 8.037 3.325 -4.549 1.00 0.00 C ATOM 625 OD1 ASN A 45 7.602 2.960 -3.459 1.00 0.00 O ATOM 626 ND2 ASN A 45 9.055 2.682 -5.108 1.00 0.00 N ATOM 0 H ASN A 45 5.721 3.853 -3.280 1.00 0.00 H new ATOM 0 HA ASN A 45 5.796 5.832 -5.484 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.730 4.509 -6.309 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.027 5.446 -4.858 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.477 1.884 -4.633 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.415 2.986 -6.013 1.00 0.00 H new ATOM 633 N CYS A 46 3.912 3.554 -5.474 1.00 0.00 N ATOM 634 CA CYS A 46 2.964 2.715 -6.192 1.00 0.00 C ATOM 635 C CYS A 46 2.197 3.547 -7.228 1.00 0.00 C ATOM 636 O CYS A 46 1.867 4.716 -6.994 1.00 0.00 O ATOM 637 CB CYS A 46 2.063 2.031 -5.210 1.00 0.00 C ATOM 638 SG CYS A 46 0.887 0.915 -5.997 1.00 0.00 S ATOM 0 H CYS A 46 3.569 3.865 -4.565 1.00 0.00 H new ATOM 0 HA CYS A 46 3.491 1.939 -6.747 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.669 1.470 -4.499 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.517 2.783 -4.640 1.00 0.00 H new ATOM 643 N GLN A 47 1.981 2.968 -8.408 1.00 0.00 N ATOM 644 CA GLN A 47 1.681 3.653 -9.649 1.00 0.00 C ATOM 645 C GLN A 47 0.576 4.688 -9.499 1.00 0.00 C ATOM 646 O GLN A 47 0.830 5.878 -9.706 1.00 0.00 O ATOM 647 CB GLN A 47 1.426 2.631 -10.762 1.00 0.00 C ATOM 648 CG GLN A 47 1.031 3.253 -12.106 1.00 0.00 C ATOM 649 CD GLN A 47 2.013 4.234 -12.724 1.00 0.00 C ATOM 650 OE1 GLN A 47 2.746 3.894 -13.642 1.00 0.00 O ATOM 651 NE2 GLN A 47 2.010 5.491 -12.281 1.00 0.00 N ATOM 0 H GLN A 47 2.014 1.955 -8.522 1.00 0.00 H new ATOM 0 HA GLN A 47 2.554 4.238 -9.940 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.325 2.031 -10.902 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.636 1.952 -10.442 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.865 2.445 -12.818 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.077 3.764 -11.976 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.393 5.760 -11.514 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.624 6.184 -12.709 1.00 0.00 H new ATOM 660 N PHE A 48 -0.632 4.265 -9.139 1.00 0.00 N ATOM 661 CA PHE A 48 -1.767 5.166 -9.001 1.00 0.00 C ATOM 662 C PHE A 48 -2.042 5.471 -7.527 1.00 0.00 C ATOM 663 O PHE A 48 -3.181 5.755 -7.167 1.00 0.00 O ATOM 664 CB PHE A 48 -2.987 4.592 -9.737 1.00 0.00 C ATOM 665 CG PHE A 48 -2.707 4.197 -11.176 1.00 0.00 C ATOM 666 CD1 PHE A 48 -2.507 5.191 -12.153 1.00 0.00 C ATOM 667 CD2 PHE A 48 -2.565 2.840 -11.527 1.00 0.00 C ATOM 668 CE1 PHE A 48 -2.171 4.830 -13.470 1.00 0.00 C ATOM 669 CE2 PHE A 48 -2.196 2.481 -12.834 1.00 0.00 C ATOM 670 CZ PHE A 48 -2.010 3.475 -13.810 1.00 0.00 C ATOM 0 H PHE A 48 -0.850 3.289 -8.935 1.00 0.00 H new ATOM 0 HA PHE A 48 -1.533 6.122 -9.470 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.349 3.719 -9.194 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.789 5.331 -9.723 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.612 6.233 -11.890 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.741 2.072 -10.788 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.036 5.594 -14.221 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.055 1.441 -13.089 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.744 3.199 -14.820 1.00 0.00 H new ATOM 680 N MET A 49 -1.025 5.416 -6.657 1.00 0.00 N ATOM 681 CA MET A 49 -1.176 5.952 -5.310 1.00 0.00 C ATOM 682 C MET A 49 -1.345 7.469 -5.416 1.00 0.00 C ATOM 683 O MET A 49 -0.600 8.114 -6.162 1.00 0.00 O ATOM 684 CB MET A 49 0.009 5.540 -4.431 1.00 0.00 C ATOM 685 CG MET A 49 -0.160 5.990 -2.972 1.00 0.00 C ATOM 686 SD MET A 49 0.163 7.737 -2.602 1.00 0.00 S ATOM 687 CE MET A 49 1.916 7.866 -2.997 1.00 0.00 C ATOM 0 H MET A 49 -0.110 5.014 -6.861 1.00 0.00 H new ATOM 0 HA MET A 49 -2.062 5.542 -4.825 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.122 4.456 -4.463 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.925 5.969 -4.837 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.180 5.762 -2.664 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.502 5.385 -2.353 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.329 8.761 -2.531 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.439 6.987 -2.621 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.042 7.929 -4.078 1.00 0.00 H new ATOM 697 N GLN A 50 -2.346 7.997 -4.710 1.00 0.00 N ATOM 698 CA GLN A 50 -2.838 9.362 -4.749 1.00 0.00 C ATOM 699 C GLN A 50 -2.652 9.987 -3.366 1.00 0.00 C ATOM 700 O GLN A 50 -3.060 9.404 -2.358 1.00 0.00 O ATOM 701 CB GLN A 50 -4.337 9.318 -5.080 1.00 0.00 C ATOM 702 CG GLN A 50 -4.618 8.729 -6.470 1.00 0.00 C ATOM 703 CD GLN A 50 -5.914 7.923 -6.494 1.00 0.00 C ATOM 704 OE1 GLN A 50 -7.003 8.481 -6.421 1.00 0.00 O ATOM 705 NE2 GLN A 50 -5.802 6.601 -6.600 1.00 0.00 N ATOM 0 H GLN A 50 -2.871 7.430 -4.045 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.300 9.946 -5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.854 8.724 -4.327 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.747 10.327 -5.027 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.678 9.535 -7.201 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.787 8.090 -6.768 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.879 6.170 -6.659 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.639 6.018 -6.623 1.00 0.00 H new ATOM 714 N ALA A 51 -2.088 11.194 -3.307 1.00 0.00 N ATOM 715 CA ALA A 51 -2.173 12.022 -2.107 1.00 0.00 C ATOM 716 C ALA A 51 -3.510 12.765 -2.073 1.00 0.00 C ATOM 717 O ALA A 51 -4.037 13.094 -1.014 1.00 0.00 O ATOM 718 CB ALA A 51 -0.998 12.994 -2.059 1.00 0.00 C ATOM 0 H ALA A 51 -1.569 11.618 -4.076 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.121 11.384 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.070 13.607 -1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.063 12.434 -2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.021 13.636 -2.940 1.00 0.00 H new ATOM 724 N ASP A 52 -4.053 12.995 -3.264 1.00 0.00 N ATOM 725 CA ASP A 52 -5.127 13.902 -3.618 1.00 0.00 C ATOM 726 C ASP A 52 -6.492 13.397 -3.143 1.00 0.00 C ATOM 727 O ASP A 52 -7.502 14.067 -3.337 1.00 0.00 O ATOM 728 CB ASP A 52 -5.118 14.043 -5.156 1.00 0.00 C ATOM 729 CG ASP A 52 -3.718 14.139 -5.769 1.00 0.00 C ATOM 730 OD1 ASP A 52 -2.984 13.125 -5.645 1.00 0.00 O ATOM 731 OD2 ASP A 52 -3.398 15.214 -6.316 1.00 0.00 O ATOM 0 H ASP A 52 -3.713 12.497 -4.086 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.966 14.862 -3.128 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.635 13.188 -5.591 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.685 14.932 -5.432 1.00 0.00 H new ATOM 736 N ALA A 53 -6.545 12.209 -2.533 1.00 0.00 N ATOM 737 CA ALA A 53 -7.783 11.468 -2.324 1.00 0.00 C ATOM 738 C ALA A 53 -8.678 12.022 -1.211 1.00 0.00 C ATOM 739 O ALA A 53 -9.718 11.435 -0.922 1.00 0.00 O ATOM 740 CB ALA A 53 -7.432 9.999 -2.069 1.00 0.00 C ATOM 0 H ALA A 53 -5.719 11.734 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.380 11.576 -3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.347 9.429 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.899 9.597 -2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.800 9.924 -1.184 1.00 0.00 H new ATOM 746 N ALA A 54 -8.270 13.130 -0.586 1.00 0.00 N ATOM 747 CA ALA A 54 -8.827 13.653 0.657 1.00 0.00 C ATOM 748 C ALA A 54 -8.645 12.652 1.801 1.00 0.00 C ATOM 749 O ALA A 54 -8.342 11.479 1.596 1.00 0.00 O ATOM 750 CB ALA A 54 -10.288 14.089 0.487 1.00 0.00 C ATOM 0 H ALA A 54 -7.512 13.708 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.270 14.551 0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.666 14.472 1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.349 14.870 -0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.889 13.234 0.176 1.00 0.00 H new ATOM 756 N GLY A 55 -8.716 13.132 3.043 1.00 0.00 N ATOM 757 CA GLY A 55 -8.581 12.302 4.233 1.00 0.00 C ATOM 758 C GLY A 55 -7.131 11.902 4.525 1.00 0.00 C ATOM 759 O GLY A 55 -6.774 11.734 5.688 1.00 0.00 O ATOM 0 H GLY A 55 -8.871 14.119 3.250 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.983 12.840 5.091 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.183 11.401 4.111 1.00 0.00 H new ATOM 763 N ALA A 56 -6.316 11.738 3.478 1.00 0.00 N ATOM 764 CA ALA A 56 -4.889 11.454 3.532 1.00 0.00 C ATOM 765 C ALA A 56 -4.214 12.271 4.636 1.00 0.00 C ATOM 766 O ALA A 56 -4.387 13.489 4.680 1.00 0.00 O ATOM 767 CB ALA A 56 -4.266 11.766 2.165 1.00 0.00 C ATOM 0 H ALA A 56 -6.659 11.805 2.520 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.739 10.400 3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.197 11.556 2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.735 11.146 1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.423 12.818 1.925 1.00 0.00 H new ATOM 773 N THR A 57 -3.469 11.608 5.525 1.00 0.00 N ATOM 774 CA THR A 57 -2.835 12.254 6.666 1.00 0.00 C ATOM 775 C THR A 57 -1.330 12.354 6.436 1.00 0.00 C ATOM 776 O THR A 57 -0.880 12.699 5.343 1.00 0.00 O ATOM 777 CB THR A 57 -3.252 11.610 8.007 1.00 0.00 C ATOM 778 OG1 THR A 57 -2.615 10.373 8.215 1.00 0.00 O ATOM 779 CG2 THR A 57 -4.756 11.361 8.105 1.00 0.00 C ATOM 0 H THR A 57 -3.291 10.605 5.469 1.00 0.00 H new ATOM 0 HA THR A 57 -3.197 13.278 6.751 1.00 0.00 H new ATOM 0 HB THR A 57 -2.949 12.333 8.765 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.150 10.386 9.077 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.988 10.907 9.069 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.288 12.308 8.012 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.067 10.690 7.304 1.00 0.00 H new ATOM 787 N ASP A 58 -0.542 12.042 7.458 1.00 0.00 N ATOM 788 CA ASP A 58 0.878 12.139 7.551 1.00 0.00 C ATOM 789 C ASP A 58 1.432 10.952 6.760 1.00 0.00 C ATOM 790 O ASP A 58 1.898 11.122 5.629 1.00 0.00 O ATOM 791 CB ASP A 58 1.281 12.124 9.047 1.00 0.00 C ATOM 792 CG ASP A 58 0.220 11.861 10.118 1.00 0.00 C ATOM 793 OD1 ASP A 58 -0.697 11.045 9.853 1.00 0.00 O ATOM 794 OD2 ASP A 58 0.378 12.324 11.267 1.00 0.00 O ATOM 0 H ASP A 58 -0.941 11.679 8.323 1.00 0.00 H new ATOM 0 HA ASP A 58 1.282 13.062 7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.058 11.369 9.167 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.737 13.089 9.271 1.00 0.00 H new ATOM 799 N GLU A 59 1.296 9.734 7.299 1.00 0.00 N ATOM 800 CA GLU A 59 1.810 8.544 6.670 1.00 0.00 C ATOM 801 C GLU A 59 0.799 7.972 5.682 1.00 0.00 C ATOM 802 O GLU A 59 1.093 6.965 5.044 1.00 0.00 O ATOM 803 CB GLU A 59 2.096 7.480 7.733 1.00 0.00 C ATOM 804 CG GLU A 59 2.906 7.919 8.963 1.00 0.00 C ATOM 805 CD GLU A 59 2.052 8.324 10.160 1.00 0.00 C ATOM 806 OE1 GLU A 59 1.023 7.668 10.450 1.00 0.00 O ATOM 807 OE2 GLU A 59 2.396 9.319 10.824 1.00 0.00 O ATOM 0 H GLU A 59 0.823 9.562 8.186 1.00 0.00 H new ATOM 0 HA GLU A 59 2.724 8.812 6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.142 7.084 8.080 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.627 6.658 7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.565 7.103 9.260 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.543 8.758 8.684 1.00 0.00 H new ATOM 814 N TRP A 60 -0.410 8.541 5.612 1.00 0.00 N ATOM 815 CA TRP A 60 -1.556 7.818 5.092 1.00 0.00 C ATOM 816 C TRP A 60 -2.105 8.483 3.846 1.00 0.00 C ATOM 817 O TRP A 60 -2.330 9.693 3.854 1.00 0.00 O ATOM 818 CB TRP A 60 -2.599 7.724 6.188 1.00 0.00 C ATOM 819 CG TRP A 60 -2.112 6.986 7.384 1.00 0.00 C ATOM 820 CD1 TRP A 60 -1.397 7.517 8.396 1.00 0.00 C ATOM 821 CD2 TRP A 60 -2.224 5.566 7.674 1.00 0.00 C ATOM 822 NE1 TRP A 60 -1.063 6.533 9.291 1.00 0.00 N ATOM 823 CE2 TRP A 60 -1.601 5.318 8.930 1.00 0.00 C ATOM 824 CE3 TRP A 60 -2.788 4.462 7.002 1.00 0.00 C ATOM 825 CZ2 TRP A 60 -1.600 4.054 9.526 1.00 0.00 C ATOM 826 CZ3 TRP A 60 -2.750 3.176 7.571 1.00 0.00 C ATOM 827 CH2 TRP A 60 -2.203 2.980 8.852 1.00 0.00 C ATOM 0 H TRP A 60 -0.611 9.496 5.910 1.00 0.00 H new ATOM 0 HA TRP A 60 -1.257 6.813 4.795 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -2.900 8.729 6.484 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -3.487 7.228 5.797 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -1.128 8.559 8.488 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.488 6.682 10.120 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.255 4.606 6.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.141 3.905 10.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.143 2.334 7.021 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.247 2.006 9.316 1.00 0.00 H new ATOM 838 N LYS A 61 -2.245 7.703 2.775 1.00 0.00 N ATOM 839 CA LYS A 61 -2.604 8.184 1.445 1.00 0.00 C ATOM 840 C LYS A 61 -3.664 7.283 0.795 1.00 0.00 C ATOM 841 O LYS A 61 -4.072 6.274 1.370 1.00 0.00 O ATOM 842 CB LYS A 61 -1.332 8.321 0.582 1.00 0.00 C ATOM 843 CG LYS A 61 -0.731 9.735 0.606 1.00 0.00 C ATOM 844 CD LYS A 61 0.172 10.068 1.807 1.00 0.00 C ATOM 845 CE LYS A 61 0.124 11.576 2.104 1.00 0.00 C ATOM 846 NZ LYS A 61 0.694 11.938 3.419 1.00 0.00 N ATOM 0 H LYS A 61 -2.108 6.693 2.811 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.057 9.172 1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.584 7.610 0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.569 8.052 -0.447 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.153 9.877 -0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.549 10.455 0.582 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.153 9.507 2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.197 9.764 1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.666 12.109 1.323 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.911 11.914 2.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.026 12.431 3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.995 11.076 3.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.514 12.563 3.282 1.00 0.00 H new ATOM 860 N GLY A 62 -4.137 7.674 -0.392 1.00 0.00 N ATOM 861 CA GLY A 62 -5.180 6.973 -1.125 1.00 0.00 C ATOM 862 C GLY A 62 -4.562 5.982 -2.105 1.00 0.00 C ATOM 863 O GLY A 62 -3.783 6.370 -2.971 1.00 0.00 O ATOM 0 H GLY A 62 -3.794 8.505 -0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.833 6.447 -0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.800 7.690 -1.664 1.00 0.00 H new ATOM 867 N CYS A 63 -4.900 4.700 -1.988 1.00 0.00 N ATOM 868 CA CYS A 63 -4.423 3.672 -2.900 1.00 0.00 C ATOM 869 C CYS A 63 -5.361 3.603 -4.109 1.00 0.00 C ATOM 870 O CYS A 63 -6.556 3.365 -3.933 1.00 0.00 O ATOM 871 CB CYS A 63 -4.392 2.356 -2.170 1.00 0.00 C ATOM 872 SG CYS A 63 -4.229 0.990 -3.335 1.00 0.00 S ATOM 0 H CYS A 63 -5.515 4.347 -1.254 1.00 0.00 H new ATOM 0 HA CYS A 63 -3.418 3.904 -3.253 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.559 2.343 -1.467 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -5.304 2.236 -1.586 1.00 0.00 H new ATOM 877 N GLN A 64 -4.809 3.788 -5.315 1.00 0.00 N ATOM 878 CA GLN A 64 -5.358 3.358 -6.601 1.00 0.00 C ATOM 879 C GLN A 64 -6.893 3.346 -6.648 1.00 0.00 C ATOM 880 O GLN A 64 -7.495 4.380 -6.932 1.00 0.00 O ATOM 881 CB GLN A 64 -4.701 2.034 -7.042 1.00 0.00 C ATOM 882 CG GLN A 64 -3.172 2.090 -6.888 1.00 0.00 C ATOM 883 CD GLN A 64 -2.431 1.191 -7.876 1.00 0.00 C ATOM 884 OE1 GLN A 64 -1.586 1.666 -8.628 1.00 0.00 O ATOM 885 NE2 GLN A 64 -2.748 -0.096 -7.913 1.00 0.00 N ATOM 0 H GLN A 64 -3.916 4.270 -5.422 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.097 4.113 -7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.099 1.212 -6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.957 1.827 -8.081 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.838 3.119 -7.023 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.905 1.799 -5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.454 -0.466 -7.277 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.286 -0.716 -8.578 1.00 0.00 H new ATOM 894 N LEU A 65 -7.513 2.192 -6.372 1.00 0.00 N ATOM 895 CA LEU A 65 -8.958 2.015 -6.318 1.00 0.00 C ATOM 896 C LEU A 65 -9.321 1.306 -5.010 1.00 0.00 C ATOM 897 O LEU A 65 -9.992 0.276 -5.020 1.00 0.00 O ATOM 898 CB LEU A 65 -9.434 1.214 -7.544 1.00 0.00 C ATOM 899 CG LEU A 65 -9.207 1.920 -8.892 1.00 0.00 C ATOM 900 CD1 LEU A 65 -9.517 0.939 -10.028 1.00 0.00 C ATOM 901 CD2 LEU A 65 -10.098 3.160 -9.043 1.00 0.00 C ATOM 0 H LEU A 65 -7.001 1.332 -6.175 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.459 2.983 -6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.917 0.254 -7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.497 1.002 -7.433 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.167 2.245 -8.933 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.359 1.432 -10.987 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.859 0.074 -9.951 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.555 0.613 -9.954 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.907 3.630 -10.008 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.146 2.865 -8.984 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.875 3.868 -8.245 1.00 0.00 H new ATOM 913 N PHE A 66 -8.876 1.863 -3.881 1.00 0.00 N ATOM 914 CA PHE A 66 -9.159 1.378 -2.533 1.00 0.00 C ATOM 915 C PHE A 66 -10.112 2.387 -1.872 1.00 0.00 C ATOM 916 O PHE A 66 -9.661 3.261 -1.136 1.00 0.00 O ATOM 917 CB PHE A 66 -7.818 1.227 -1.783 1.00 0.00 C ATOM 918 CG PHE A 66 -7.695 0.097 -0.778 1.00 0.00 C ATOM 919 CD1 PHE A 66 -8.785 -0.297 0.019 1.00 0.00 C ATOM 920 CD2 PHE A 66 -6.444 -0.525 -0.598 1.00 0.00 C ATOM 921 CE1 PHE A 66 -8.636 -1.354 0.932 1.00 0.00 C ATOM 922 CE2 PHE A 66 -6.289 -1.557 0.339 1.00 0.00 C ATOM 923 CZ PHE A 66 -7.395 -1.995 1.084 1.00 0.00 C ATOM 0 H PHE A 66 -8.287 2.695 -3.884 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.644 0.402 -2.525 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.030 1.102 -2.526 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.618 2.163 -1.261 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.734 0.212 -0.071 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.597 -0.204 -1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -9.482 -1.676 1.521 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.321 -2.013 0.487 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.292 -2.822 1.771 1.00 0.00 H new ATOM 933 N PRO A 67 -11.423 2.346 -2.162 1.00 0.00 N ATOM 934 CA PRO A 67 -12.320 3.434 -1.807 1.00 0.00 C ATOM 935 C PRO A 67 -12.505 3.566 -0.297 1.00 0.00 C ATOM 936 O PRO A 67 -12.551 2.575 0.430 1.00 0.00 O ATOM 937 CB PRO A 67 -13.648 3.138 -2.507 1.00 0.00 C ATOM 938 CG PRO A 67 -13.613 1.622 -2.704 1.00 0.00 C ATOM 939 CD PRO A 67 -12.129 1.343 -2.941 1.00 0.00 C ATOM 0 HA PRO A 67 -11.904 4.389 -2.128 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -14.500 3.445 -1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -13.728 3.665 -3.458 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.989 1.092 -1.829 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.223 1.311 -3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.862 0.336 -2.621 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.878 1.418 -3.999 1.00 0.00 H new ATOM 947 N GLY A 68 -12.612 4.812 0.169 1.00 0.00 N ATOM 948 CA GLY A 68 -12.926 5.179 1.542 1.00 0.00 C ATOM 949 C GLY A 68 -11.709 5.065 2.456 1.00 0.00 C ATOM 950 O GLY A 68 -11.418 5.966 3.241 1.00 0.00 O ATOM 0 H GLY A 68 -12.475 5.625 -0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.304 6.201 1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.722 4.536 1.916 1.00 0.00 H new ATOM 954 N LYS A 69 -11.020 3.930 2.368 1.00 0.00 N ATOM 955 CA LYS A 69 -9.898 3.600 3.231 1.00 0.00 C ATOM 956 C LYS A 69 -8.629 4.316 2.725 1.00 0.00 C ATOM 957 O LYS A 69 -8.577 4.735 1.570 1.00 0.00 O ATOM 958 CB LYS A 69 -9.694 2.074 3.289 1.00 0.00 C ATOM 959 CG LYS A 69 -10.962 1.234 3.050 1.00 0.00 C ATOM 960 CD LYS A 69 -10.822 -0.182 3.637 1.00 0.00 C ATOM 961 CE LYS A 69 -11.836 -1.167 3.024 1.00 0.00 C ATOM 962 NZ LYS A 69 -11.511 -2.571 3.365 1.00 0.00 N ATOM 0 H LYS A 69 -11.232 3.205 1.683 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.108 3.943 4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.947 1.795 2.546 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.285 1.815 4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.820 1.732 3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.159 1.167 1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.810 -0.548 3.462 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.964 -0.142 4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.837 -0.928 3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.848 -1.049 1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.834 -3.198 2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.483 -2.670 3.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.988 -2.832 4.251 1.00 0.00 H new ATOM 976 N LEU A 70 -7.598 4.441 3.567 1.00 0.00 N ATOM 977 CA LEU A 70 -6.300 5.019 3.226 1.00 0.00 C ATOM 978 C LEU A 70 -5.217 4.001 3.571 1.00 0.00 C ATOM 979 O LEU A 70 -5.260 3.424 4.658 1.00 0.00 O ATOM 980 CB LEU A 70 -6.063 6.290 4.052 1.00 0.00 C ATOM 981 CG LEU A 70 -7.059 7.419 3.757 1.00 0.00 C ATOM 982 CD1 LEU A 70 -7.005 8.424 4.911 1.00 0.00 C ATOM 983 CD2 LEU A 70 -6.758 8.121 2.427 1.00 0.00 C ATOM 0 H LEU A 70 -7.649 4.131 4.537 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.274 5.268 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.118 6.038 5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.052 6.652 3.862 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.057 6.990 3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.707 9.236 4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.273 7.924 5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.996 8.829 4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.488 8.913 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.757 8.552 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.814 7.398 1.613 1.00 0.00 H new ATOM 995 N ILE A 71 -4.244 3.784 2.683 1.00 0.00 N ATOM 996 CA ILE A 71 -3.110 2.909 2.971 1.00 0.00 C ATOM 997 C ILE A 71 -1.973 3.744 3.535 1.00 0.00 C ATOM 998 O ILE A 71 -1.959 4.964 3.375 1.00 0.00 O ATOM 999 CB ILE A 71 -2.663 2.080 1.753 1.00 0.00 C ATOM 1000 CG1 ILE A 71 -1.785 2.793 0.709 1.00 0.00 C ATOM 1001 CG2 ILE A 71 -3.851 1.348 1.123 1.00 0.00 C ATOM 1002 CD1 ILE A 71 -2.309 4.122 0.177 1.00 0.00 C ATOM 0 H ILE A 71 -4.221 4.206 1.755 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.426 2.175 3.713 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.971 1.349 2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.802 2.964 1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.643 2.119 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.509 0.770 0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.296 0.677 1.858 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.595 2.075 0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.605 4.526 -0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.276 3.966 -0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.422 4.825 1.002 1.00 0.00 H new ATOM 1014 N ASN A 72 -1.015 3.100 4.198 1.00 0.00 N ATOM 1015 CA ASN A 72 0.168 3.793 4.667 1.00 0.00 C ATOM 1016 C ASN A 72 1.199 3.789 3.539 1.00 0.00 C ATOM 1017 O ASN A 72 1.424 2.736 2.951 1.00 0.00 O ATOM 1018 CB ASN A 72 0.692 3.071 5.911 1.00 0.00 C ATOM 1019 CG ASN A 72 1.760 3.892 6.622 1.00 0.00 C ATOM 1020 OD1 ASN A 72 2.791 4.234 6.044 1.00 0.00 O ATOM 1021 ND2 ASN A 72 1.515 4.221 7.888 1.00 0.00 N ATOM 0 H ASN A 72 -1.040 2.104 4.418 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.050 4.826 4.937 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -0.134 2.875 6.595 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.105 2.104 5.625 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.193 4.775 8.412 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.649 3.920 8.335 1.00 0.00 H new ATOM 1028 N VAL A 73 1.837 4.927 3.236 1.00 0.00 N ATOM 1029 CA VAL A 73 2.853 5.019 2.182 1.00 0.00 C ATOM 1030 C VAL A 73 3.917 3.935 2.320 1.00 0.00 C ATOM 1031 O VAL A 73 4.454 3.429 1.338 1.00 0.00 O ATOM 1032 CB VAL A 73 3.539 6.394 2.181 1.00 0.00 C ATOM 1033 CG1 VAL A 73 2.513 7.503 2.027 1.00 0.00 C ATOM 1034 CG2 VAL A 73 4.400 6.679 3.422 1.00 0.00 C ATOM 0 H VAL A 73 1.662 5.810 3.716 1.00 0.00 H new ATOM 0 HA VAL A 73 2.326 4.877 1.238 1.00 0.00 H new ATOM 0 HB VAL A 73 4.217 6.369 1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.018 8.469 2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.977 7.375 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.806 7.462 2.855 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.845 7.670 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.776 6.637 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.190 5.932 3.496 1.00 0.00 H new ATOM 1044 N ASN A 74 4.247 3.615 3.566 1.00 0.00 N ATOM 1045 CA ASN A 74 5.280 2.641 3.897 1.00 0.00 C ATOM 1046 C ASN A 74 4.843 1.202 3.619 1.00 0.00 C ATOM 1047 O ASN A 74 5.657 0.294 3.777 1.00 0.00 O ATOM 1048 CB ASN A 74 5.630 2.774 5.382 1.00 0.00 C ATOM 1049 CG ASN A 74 6.254 4.118 5.713 1.00 0.00 C ATOM 1050 OD1 ASN A 74 7.411 4.382 5.405 1.00 0.00 O ATOM 1051 ND2 ASN A 74 5.469 4.973 6.348 1.00 0.00 N ATOM 0 H ASN A 74 3.800 4.029 4.384 1.00 0.00 H new ATOM 0 HA ASN A 74 6.143 2.851 3.265 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.728 2.639 5.978 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.319 1.978 5.662 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.820 5.896 6.602 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.512 4.709 6.584 1.00 0.00 H new ATOM 1058 N GLY A 75 3.581 0.976 3.246 1.00 0.00 N ATOM 1059 CA GLY A 75 3.031 -0.350 3.037 1.00 0.00 C ATOM 1060 C GLY A 75 3.304 -0.858 1.630 1.00 0.00 C ATOM 1061 O GLY A 75 3.999 -0.209 0.858 1.00 0.00 O ATOM 0 H GLY A 75 2.909 1.725 3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.461 -1.040 3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.956 -0.330 3.214 1.00 0.00 H new ATOM 1065 N TRP A 76 2.788 -2.039 1.304 1.00 0.00 N ATOM 1066 CA TRP A 76 2.930 -2.680 0.001 1.00 0.00 C ATOM 1067 C TRP A 76 1.728 -3.598 -0.157 1.00 0.00 C ATOM 1068 O TRP A 76 1.214 -4.030 0.873 1.00 0.00 O ATOM 1069 CB TRP A 76 4.228 -3.500 -0.011 1.00 0.00 C ATOM 1070 CG TRP A 76 4.518 -4.305 -1.245 1.00 0.00 C ATOM 1071 CD1 TRP A 76 5.398 -3.949 -2.203 1.00 0.00 C ATOM 1072 CD2 TRP A 76 4.038 -5.634 -1.628 1.00 0.00 C ATOM 1073 NE1 TRP A 76 5.507 -4.949 -3.146 1.00 0.00 N ATOM 1074 CE2 TRP A 76 4.683 -6.012 -2.846 1.00 0.00 C ATOM 1075 CE3 TRP A 76 3.170 -6.585 -1.048 1.00 0.00 C ATOM 1076 CZ2 TRP A 76 4.478 -7.260 -3.451 1.00 0.00 C ATOM 1077 CZ3 TRP A 76 2.972 -7.848 -1.635 1.00 0.00 C ATOM 1078 CH2 TRP A 76 3.630 -8.190 -2.829 1.00 0.00 C ATOM 0 H TRP A 76 2.241 -2.595 1.962 1.00 0.00 H new ATOM 0 HA TRP A 76 2.974 -1.954 -0.811 1.00 0.00 H new ATOM 0 HB2 TRP A 76 5.061 -2.816 0.150 1.00 0.00 H new ATOM 0 HB3 TRP A 76 4.205 -4.181 0.840 1.00 0.00 H new ATOM 0 HD1 TRP A 76 5.939 -3.015 -2.228 1.00 0.00 H new ATOM 0 HE1 TRP A 76 6.119 -4.907 -3.961 1.00 0.00 H new ATOM 0 HE3 TRP A 76 2.648 -6.338 -0.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 4.966 -7.503 -4.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 2.310 -8.560 -1.165 1.00 0.00 H new ATOM 0 HH2 TRP A 76 3.484 -9.166 -3.267 1.00 0.00 H new ATOM 1089 N CYS A 77 1.318 -3.910 -1.395 1.00 0.00 N ATOM 1090 CA CYS A 77 0.387 -4.990 -1.709 1.00 0.00 C ATOM 1091 C CYS A 77 0.799 -5.690 -3.011 1.00 0.00 C ATOM 1092 O CYS A 77 1.656 -5.198 -3.748 1.00 0.00 O ATOM 1093 CB CYS A 77 -1.041 -4.504 -1.770 1.00 0.00 C ATOM 1094 SG CYS A 77 -1.411 -3.741 -3.361 1.00 0.00 S ATOM 0 H CYS A 77 1.635 -3.403 -2.221 1.00 0.00 H new ATOM 0 HA CYS A 77 0.435 -5.718 -0.899 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.719 -5.340 -1.600 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.216 -3.784 -0.970 1.00 0.00 H new ATOM 1099 N ALA A 78 0.178 -6.837 -3.304 1.00 0.00 N ATOM 1100 CA ALA A 78 0.468 -7.654 -4.479 1.00 0.00 C ATOM 1101 C ALA A 78 0.313 -6.876 -5.788 1.00 0.00 C ATOM 1102 O ALA A 78 0.983 -7.173 -6.776 1.00 0.00 O ATOM 1103 CB ALA A 78 -0.435 -8.890 -4.474 1.00 0.00 C ATOM 0 H ALA A 78 -0.557 -7.229 -2.715 1.00 0.00 H new ATOM 0 HA ALA A 78 1.513 -7.960 -4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.220 -9.501 -5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.250 -9.472 -3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.479 -8.578 -4.497 1.00 0.00 H new ATOM 1109 N SER A 79 -0.573 -5.881 -5.804 1.00 0.00 N ATOM 1110 CA SER A 79 -0.805 -5.035 -6.966 1.00 0.00 C ATOM 1111 C SER A 79 0.283 -3.972 -7.160 1.00 0.00 C ATOM 1112 O SER A 79 0.228 -3.254 -8.161 1.00 0.00 O ATOM 1113 CB SER A 79 -2.189 -4.382 -6.872 1.00 0.00 C ATOM 1114 OG SER A 79 -3.179 -5.364 -6.629 1.00 0.00 O ATOM 0 H SER A 79 -1.154 -5.640 -5.001 1.00 0.00 H new ATOM 0 HA SER A 79 -0.764 -5.680 -7.844 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.196 -3.642 -6.071 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.412 -3.852 -7.798 1.00 0.00 H new ATOM 0 HG SER A 79 -4.058 -4.935 -6.569 1.00 0.00 H new ATOM 1120 N TRP A 80 1.253 -3.843 -6.238 1.00 0.00 N ATOM 1121 CA TRP A 80 2.286 -2.815 -6.323 1.00 0.00 C ATOM 1122 C TRP A 80 2.885 -2.744 -7.729 1.00 0.00 C ATOM 1123 O TRP A 80 3.270 -3.763 -8.300 1.00 0.00 O ATOM 1124 CB TRP A 80 3.396 -3.029 -5.286 1.00 0.00 C ATOM 1125 CG TRP A 80 4.425 -1.941 -5.322 1.00 0.00 C ATOM 1126 CD1 TRP A 80 4.380 -0.800 -4.603 1.00 0.00 C ATOM 1127 CD2 TRP A 80 5.567 -1.800 -6.218 1.00 0.00 C ATOM 1128 NE1 TRP A 80 5.380 0.054 -5.014 1.00 0.00 N ATOM 1129 CE2 TRP A 80 6.147 -0.512 -6.014 1.00 0.00 C ATOM 1130 CE3 TRP A 80 6.161 -2.628 -7.194 1.00 0.00 C ATOM 1131 CZ2 TRP A 80 7.263 -0.074 -6.744 1.00 0.00 C ATOM 1132 CZ3 TRP A 80 7.279 -2.199 -7.929 1.00 0.00 C ATOM 1133 CH2 TRP A 80 7.848 -0.939 -7.685 1.00 0.00 C ATOM 0 H TRP A 80 1.336 -4.448 -5.421 1.00 0.00 H new ATOM 0 HA TRP A 80 1.800 -1.864 -6.103 1.00 0.00 H new ATOM 0 HB2 TRP A 80 2.955 -3.077 -4.290 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.879 -3.989 -5.467 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.666 -0.588 -3.821 1.00 0.00 H new ATOM 0 HE1 TRP A 80 5.534 0.986 -4.629 1.00 0.00 H new ATOM 0 HE3 TRP A 80 5.749 -3.609 -7.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.667 0.915 -6.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.703 -2.842 -8.686 1.00 0.00 H new ATOM 0 HH2 TRP A 80 8.735 -0.634 -8.220 1.00 0.00 H new ATOM 1144 N THR A 81 2.932 -1.549 -8.302 1.00 0.00 N ATOM 1145 CA THR A 81 3.404 -1.271 -9.650 1.00 0.00 C ATOM 1146 C THR A 81 4.144 0.051 -9.504 1.00 0.00 C ATOM 1147 O THR A 81 3.661 0.888 -8.752 1.00 0.00 O ATOM 1148 CB THR A 81 2.160 -1.179 -10.552 1.00 0.00 C ATOM 1149 OG1 THR A 81 1.476 -2.424 -10.519 1.00 0.00 O ATOM 1150 CG2 THR A 81 2.481 -0.809 -12.000 1.00 0.00 C ATOM 0 H THR A 81 2.627 -0.706 -7.815 1.00 0.00 H new ATOM 0 HA THR A 81 4.060 -2.020 -10.093 1.00 0.00 H new ATOM 0 HB THR A 81 1.538 -0.374 -10.160 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.018 -2.523 -9.658 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.557 -0.762 -12.577 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.975 0.162 -12.026 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.140 -1.563 -12.431 1.00 0.00 H new ATOM 1158 N LEU A 82 5.315 0.258 -10.103 1.00 0.00 N ATOM 1159 CA LEU A 82 6.073 1.474 -9.844 1.00 0.00 C ATOM 1160 C LEU A 82 5.322 2.647 -10.486 1.00 0.00 C ATOM 1161 O LEU A 82 4.730 2.494 -11.554 1.00 0.00 O ATOM 1162 CB LEU A 82 7.480 1.314 -10.444 1.00 0.00 C ATOM 1163 CG LEU A 82 8.664 2.015 -9.749 1.00 0.00 C ATOM 1164 CD1 LEU A 82 9.823 2.091 -10.749 1.00 0.00 C ATOM 1165 CD2 LEU A 82 8.397 3.419 -9.207 1.00 0.00 C ATOM 0 H LEU A 82 5.751 -0.390 -10.759 1.00 0.00 H new ATOM 0 HA LEU A 82 6.176 1.663 -8.775 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.704 0.248 -10.483 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.443 1.670 -11.474 1.00 0.00 H new ATOM 0 HG LEU A 82 8.883 1.411 -8.868 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.675 2.584 -10.281 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.108 1.084 -11.053 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.511 2.660 -11.625 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.303 3.808 -8.741 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.100 4.075 -10.026 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.598 3.377 -8.467 1.00 0.00 H new ATOM 1177 N LYS A 83 5.358 3.831 -9.870 1.00 0.00 N ATOM 1178 CA LYS A 83 5.138 5.093 -10.574 1.00 0.00 C ATOM 1179 C LYS A 83 5.948 5.094 -11.884 1.00 0.00 C ATOM 1180 O LYS A 83 7.152 5.327 -11.873 1.00 0.00 O ATOM 1181 CB LYS A 83 5.558 6.251 -9.650 1.00 0.00 C ATOM 1182 CG LYS A 83 4.534 6.567 -8.544 1.00 0.00 C ATOM 1183 CD LYS A 83 3.601 7.712 -8.972 1.00 0.00 C ATOM 1184 CE LYS A 83 2.674 8.213 -7.849 1.00 0.00 C ATOM 1185 NZ LYS A 83 1.566 7.282 -7.561 1.00 0.00 N ATOM 0 H LYS A 83 5.540 3.940 -8.872 1.00 0.00 H new ATOM 0 HA LYS A 83 4.086 5.216 -10.830 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.514 6.006 -9.188 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.715 7.145 -10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.946 5.677 -8.322 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.056 6.841 -7.627 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.205 8.546 -9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.991 7.377 -9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.259 8.365 -6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.263 9.183 -8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.875 7.747 -6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.101 7.010 -8.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.940 6.432 -7.092 1.00 0.00 H new ATOM 1199 N ALA A 84 5.276 4.822 -13.006 1.00 0.00 N ATOM 1200 CA ALA A 84 5.837 4.584 -14.321 1.00 0.00 C ATOM 1201 C ALA A 84 6.759 3.361 -14.367 1.00 0.00 C ATOM 1202 O ALA A 84 7.860 3.424 -14.911 1.00 0.00 O ATOM 1203 CB ALA A 84 6.441 5.880 -14.843 1.00 0.00 C ATOM 0 H ALA A 84 4.258 4.760 -13.010 1.00 0.00 H new ATOM 0 HA ALA A 84 5.044 4.302 -15.014 1.00 0.00 H new ATOM 0 HB1 ALA A 84 6.866 5.711 -15.832 1.00 0.00 H new ATOM 0 HB2 ALA A 84 5.665 6.643 -14.907 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.225 6.215 -14.164 1.00 0.00 H new ATOM 1209 N GLY A 85 6.269 2.232 -13.850 1.00 0.00 N ATOM 1210 CA GLY A 85 6.864 0.916 -14.018 1.00 0.00 C ATOM 1211 C GLY A 85 5.915 -0.123 -13.424 1.00 0.00 C ATOM 1212 O GLY A 85 6.283 -0.748 -12.403 1.00 0.00 O ATOM 1213 OXT GLY A 85 4.806 -0.249 -13.983 1.00 0.00 O ATOM 0 H GLY A 85 5.420 2.214 -13.286 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.038 0.711 -15.074 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.833 0.872 -13.521 1.00 0.00 H new TER 1217 GLY A 85 HETATM 1218 FE1 SF4 A 86 -0.192 0.186 -1.928 1.00 0.00 FE HETATM 1219 FE2 SF4 A 86 -0.165 0.226 -4.403 1.00 0.00 FE HETATM 1220 FE3 SF4 A 86 -2.337 0.324 -3.207 1.00 0.00 FE HETATM 1221 FE4 SF4 A 86 -1.070 -1.767 -3.212 1.00 0.00 FE HETATM 1222 S1 SF4 A 86 -1.922 -0.849 -4.950 1.00 0.00 S HETATM 1223 S2 SF4 A 86 -2.003 -0.909 -1.477 1.00 0.00 S HETATM 1224 S3 SF4 A 86 0.996 -1.130 -3.177 1.00 0.00 S HETATM 1225 S4 SF4 A 86 -0.831 1.860 -3.152 1.00 0.00 S