USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 600 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 8 ASN : amide:sc= -2.15! C(o=-4.2!,f=-12!) USER MOD Set 1.2: A 19 GLN :FLIP amide:sc= -3.23! C(o=-9.5!,f=-4.2!) USER MOD Set 1.3: A 25 TYR OH : rot -29:sc= 1.18 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -136:sc= -0.719 (180deg=-2.03!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0105 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0481 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 130:sc= -1.03 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -1.41 F(o=-5.1!,f=-1.4) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.0775 USER MOD Single : A 41 SER OG : rot 132:sc= -0.1 USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= 1.05 (180deg=0.722) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0556) USER MOD Single : A 57 CYS SG : rot -140:sc= -1.29 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -162:sc=-0.00465 (180deg=-0.114) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= -1.92 K(o=-1.9,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 3 -16.190 6.628 13.939 1.00 0.00 N ATOM 2 CA GLU A 3 -16.764 7.998 14.024 1.00 0.00 C ATOM 3 C GLU A 3 -16.159 8.875 12.928 1.00 0.00 C ATOM 4 O GLU A 3 -16.798 9.774 12.418 1.00 0.00 O ATOM 5 CB GLU A 3 -16.437 8.606 15.389 1.00 0.00 C ATOM 6 CG GLU A 3 -17.230 9.902 15.575 1.00 0.00 C ATOM 7 CD GLU A 3 -18.710 9.571 15.786 1.00 0.00 C ATOM 8 OE1 GLU A 3 -19.419 9.460 14.798 1.00 0.00 O ATOM 9 OE2 GLU A 3 -19.109 9.436 16.931 1.00 0.00 O ATOM 0 HA GLU A 3 -17.845 7.943 13.896 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.683 7.900 16.182 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.368 8.808 15.462 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -16.845 10.456 16.431 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.111 10.542 14.701 1.00 0.00 H new ATOM 16 N LYS A 4 -14.925 8.633 12.569 1.00 0.00 N ATOM 17 CA LYS A 4 -14.278 9.467 11.515 1.00 0.00 C ATOM 18 C LYS A 4 -14.662 8.951 10.121 1.00 0.00 C ATOM 19 O LYS A 4 -15.664 8.285 9.955 1.00 0.00 O ATOM 20 CB LYS A 4 -12.752 9.471 11.706 1.00 0.00 C ATOM 21 CG LYS A 4 -12.225 8.064 11.992 1.00 0.00 C ATOM 22 CD LYS A 4 -10.697 8.121 12.176 1.00 0.00 C ATOM 23 CE LYS A 4 -10.334 8.959 13.414 1.00 0.00 C ATOM 24 NZ LYS A 4 -8.986 8.561 13.916 1.00 0.00 N ATOM 0 H LYS A 4 -14.339 7.895 12.960 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.633 10.494 11.604 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.272 9.867 10.811 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -12.488 10.135 12.529 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.696 7.662 12.889 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.479 7.394 11.171 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.300 7.112 12.284 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.234 8.553 11.289 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.340 10.019 13.161 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.081 8.813 14.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.745 9.130 14.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.995 7.553 14.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.277 8.722 13.172 1.00 0.00 H new ATOM 38 N ARG A 5 -13.901 9.287 9.113 1.00 0.00 N ATOM 39 CA ARG A 5 -14.258 8.855 7.729 1.00 0.00 C ATOM 40 C ARG A 5 -13.833 7.405 7.481 1.00 0.00 C ATOM 41 O ARG A 5 -12.927 6.889 8.105 1.00 0.00 O ATOM 42 CB ARG A 5 -13.554 9.770 6.724 1.00 0.00 C ATOM 43 CG ARG A 5 -14.194 9.612 5.343 1.00 0.00 C ATOM 44 CD ARG A 5 -13.476 10.520 4.342 1.00 0.00 C ATOM 45 NE ARG A 5 -12.037 10.144 4.271 1.00 0.00 N ATOM 46 CZ ARG A 5 -11.302 10.566 3.278 1.00 0.00 C ATOM 47 NH1 ARG A 5 -11.834 11.297 2.338 1.00 0.00 N ATOM 48 NH2 ARG A 5 -10.036 10.258 3.224 1.00 0.00 N ATOM 0 H ARG A 5 -13.048 9.842 9.188 1.00 0.00 H new ATOM 0 HA ARG A 5 -15.339 8.921 7.609 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.625 10.807 7.051 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.494 9.523 6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -14.132 8.573 5.018 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -15.252 9.869 5.389 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.935 10.428 3.358 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.576 11.562 4.644 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.626 9.557 4.997 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.824 11.539 2.379 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -11.260 11.627 1.562 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.618 9.686 3.958 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.463 10.589 2.447 1.00 0.00 H new ATOM 62 N ARG A 6 -14.501 6.746 6.566 1.00 0.00 N ATOM 63 CA ARG A 6 -14.173 5.321 6.249 1.00 0.00 C ATOM 64 C ARG A 6 -14.235 5.108 4.736 1.00 0.00 C ATOM 65 O ARG A 6 -14.499 6.022 3.981 1.00 0.00 O ATOM 66 CB ARG A 6 -15.196 4.407 6.917 1.00 0.00 C ATOM 67 CG ARG A 6 -15.330 4.773 8.397 1.00 0.00 C ATOM 68 CD ARG A 6 -16.071 3.654 9.155 1.00 0.00 C ATOM 69 NE ARG A 6 -17.013 4.267 10.142 1.00 0.00 N ATOM 70 CZ ARG A 6 -16.616 5.220 10.940 1.00 0.00 C ATOM 71 NH1 ARG A 6 -15.350 5.521 11.026 1.00 0.00 N ATOM 72 NH2 ARG A 6 -17.482 5.839 11.694 1.00 0.00 N ATOM 0 H ARG A 6 -15.267 7.139 6.020 1.00 0.00 H new ATOM 0 HA ARG A 6 -13.172 5.091 6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -16.162 4.503 6.420 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -14.888 3.366 6.817 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -14.343 4.926 8.833 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -15.872 5.713 8.499 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.619 3.025 8.454 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.356 3.011 9.668 1.00 0.00 H new ATOM 0 HE ARG A 6 -17.977 3.936 10.192 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -14.665 5.011 10.468 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -15.044 6.267 11.651 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -18.467 5.578 11.659 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.174 6.584 12.319 1.00 0.00 H new ATOM 86 N ASP A 7 -13.995 3.899 4.290 1.00 0.00 N ATOM 87 CA ASP A 7 -14.041 3.599 2.823 1.00 0.00 C ATOM 88 C ASP A 7 -15.338 2.851 2.494 1.00 0.00 C ATOM 89 O ASP A 7 -16.247 2.777 3.296 1.00 0.00 O ATOM 90 CB ASP A 7 -12.833 2.733 2.446 1.00 0.00 C ATOM 91 CG ASP A 7 -12.991 1.330 3.036 1.00 0.00 C ATOM 92 OD1 ASP A 7 -13.089 1.224 4.247 1.00 0.00 O ATOM 93 OD2 ASP A 7 -13.010 0.384 2.265 1.00 0.00 O ATOM 0 H ASP A 7 -13.768 3.101 4.883 1.00 0.00 H new ATOM 0 HA ASP A 7 -14.011 4.530 2.257 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.743 2.672 1.361 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.916 3.191 2.817 1.00 0.00 H new ATOM 98 N ASN A 8 -15.425 2.299 1.315 1.00 0.00 N ATOM 99 CA ASN A 8 -16.653 1.554 0.916 1.00 0.00 C ATOM 100 C ASN A 8 -16.802 0.282 1.762 1.00 0.00 C ATOM 101 O ASN A 8 -17.860 -0.315 1.813 1.00 0.00 O ATOM 102 CB ASN A 8 -16.559 1.184 -0.573 1.00 0.00 C ATOM 103 CG ASN A 8 -15.122 0.769 -0.917 1.00 0.00 C ATOM 104 OD1 ASN A 8 -14.267 0.714 -0.055 1.00 0.00 O ATOM 105 ND2 ASN A 8 -14.817 0.472 -2.152 1.00 0.00 N ATOM 0 H ASN A 8 -14.693 2.332 0.606 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.526 2.185 1.082 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.246 0.369 -0.798 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.859 2.033 -1.188 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -13.864 0.195 -2.390 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.531 0.517 -2.879 1.00 0.00 H new ATOM 112 N ARG A 9 -15.754 -0.149 2.415 1.00 0.00 N ATOM 113 CA ARG A 9 -15.839 -1.390 3.244 1.00 0.00 C ATOM 114 C ARG A 9 -16.069 -1.025 4.715 1.00 0.00 C ATOM 115 O ARG A 9 -16.241 -1.887 5.556 1.00 0.00 O ATOM 116 CB ARG A 9 -14.525 -2.155 3.115 1.00 0.00 C ATOM 117 CG ARG A 9 -14.265 -2.487 1.642 1.00 0.00 C ATOM 118 CD ARG A 9 -15.374 -3.403 1.089 1.00 0.00 C ATOM 119 NE ARG A 9 -14.796 -4.344 0.075 1.00 0.00 N ATOM 120 CZ ARG A 9 -13.983 -3.921 -0.860 1.00 0.00 C ATOM 121 NH1 ARG A 9 -13.773 -2.647 -1.035 1.00 0.00 N ATOM 122 NH2 ARG A 9 -13.417 -4.779 -1.662 1.00 0.00 N ATOM 0 H ARG A 9 -14.841 0.305 2.410 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.670 -2.004 2.897 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.705 -1.558 3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.567 -3.072 3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.221 -1.567 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.297 -2.977 1.539 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.832 -3.966 1.902 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.161 -2.802 0.634 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.041 -5.333 0.114 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.244 -1.966 -0.440 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.137 -2.331 -1.767 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -13.608 -5.776 -1.560 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.783 -4.454 -2.392 1.00 0.00 H new ATOM 136 N GLY A 10 -16.081 0.241 5.035 1.00 0.00 N ATOM 137 CA GLY A 10 -16.308 0.655 6.452 1.00 0.00 C ATOM 138 C GLY A 10 -15.007 0.540 7.253 1.00 0.00 C ATOM 139 O GLY A 10 -14.989 0.744 8.452 1.00 0.00 O ATOM 0 H GLY A 10 -15.943 1.008 4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.674 1.681 6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.077 0.028 6.903 1.00 0.00 H new ATOM 143 N ARG A 11 -13.916 0.214 6.608 1.00 0.00 N ATOM 144 CA ARG A 11 -12.620 0.087 7.343 1.00 0.00 C ATOM 145 C ARG A 11 -11.915 1.446 7.382 1.00 0.00 C ATOM 146 O ARG A 11 -11.764 2.103 6.371 1.00 0.00 O ATOM 147 CB ARG A 11 -11.712 -0.920 6.625 1.00 0.00 C ATOM 148 CG ARG A 11 -12.390 -2.301 6.557 1.00 0.00 C ATOM 149 CD ARG A 11 -11.339 -3.407 6.297 1.00 0.00 C ATOM 150 NE ARG A 11 -11.807 -4.298 5.188 1.00 0.00 N ATOM 151 CZ ARG A 11 -13.000 -4.832 5.204 1.00 0.00 C ATOM 152 NH1 ARG A 11 -13.780 -4.669 6.236 1.00 0.00 N ATOM 153 NH2 ARG A 11 -13.404 -5.552 4.192 1.00 0.00 N ATOM 0 H ARG A 11 -13.866 0.030 5.606 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.821 -0.256 8.358 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.491 -0.566 5.618 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.760 -1.000 7.151 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.915 -2.502 7.491 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.138 -2.307 5.764 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.381 -2.957 6.035 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.180 -3.991 7.203 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.183 -4.492 4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.460 -4.123 7.036 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.710 -5.088 6.244 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.789 -5.697 3.391 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.335 -5.970 4.202 1.00 0.00 H new ATOM 167 N ILE A 12 -11.470 1.872 8.533 1.00 0.00 N ATOM 168 CA ILE A 12 -10.764 3.183 8.611 1.00 0.00 C ATOM 169 C ILE A 12 -9.372 3.045 7.984 1.00 0.00 C ATOM 170 O ILE A 12 -8.562 2.245 8.409 1.00 0.00 O ATOM 171 CB ILE A 12 -10.649 3.625 10.081 1.00 0.00 C ATOM 172 CG1 ILE A 12 -12.030 4.095 10.567 1.00 0.00 C ATOM 173 CG2 ILE A 12 -9.636 4.773 10.208 1.00 0.00 C ATOM 174 CD1 ILE A 12 -12.009 4.393 12.073 1.00 0.00 C ATOM 0 H ILE A 12 -11.564 1.373 9.418 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.328 3.939 8.064 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.306 2.788 10.689 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.328 4.989 10.019 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.775 3.328 10.354 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.562 5.079 11.252 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.660 4.437 9.858 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.967 5.619 9.605 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.997 4.724 12.392 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.734 3.490 12.619 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.280 5.177 12.279 1.00 0.00 H new ATOM 186 N LEU A 13 -9.091 3.831 6.980 1.00 0.00 N ATOM 187 CA LEU A 13 -7.752 3.775 6.314 1.00 0.00 C ATOM 188 C LEU A 13 -6.860 4.882 6.894 1.00 0.00 C ATOM 189 O LEU A 13 -7.348 5.871 7.406 1.00 0.00 O ATOM 190 CB LEU A 13 -7.922 3.974 4.801 1.00 0.00 C ATOM 191 CG LEU A 13 -8.750 5.247 4.516 1.00 0.00 C ATOM 192 CD1 LEU A 13 -8.445 5.746 3.095 1.00 0.00 C ATOM 193 CD2 LEU A 13 -10.274 4.965 4.665 1.00 0.00 C ATOM 0 H LEU A 13 -9.736 4.517 6.587 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.288 2.805 6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.944 4.054 4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.417 3.105 4.367 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.475 6.013 5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.028 6.644 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.383 5.976 3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.707 4.972 2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.835 5.877 4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.571 4.189 3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.485 4.631 5.681 1.00 0.00 H new ATOM 205 N LYS A 14 -5.560 4.731 6.828 1.00 0.00 N ATOM 206 CA LYS A 14 -4.659 5.787 7.392 1.00 0.00 C ATOM 207 C LYS A 14 -4.348 6.839 6.324 1.00 0.00 C ATOM 208 O LYS A 14 -4.791 6.756 5.196 1.00 0.00 O ATOM 209 CB LYS A 14 -3.335 5.172 7.871 1.00 0.00 C ATOM 210 CG LYS A 14 -3.584 3.925 8.740 1.00 0.00 C ATOM 211 CD LYS A 14 -4.057 4.323 10.151 1.00 0.00 C ATOM 212 CE LYS A 14 -2.957 5.105 10.897 1.00 0.00 C ATOM 213 NZ LYS A 14 -3.202 6.566 10.739 1.00 0.00 N ATOM 0 H LYS A 14 -5.086 3.930 6.412 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.172 6.249 8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.723 4.903 7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.773 5.911 8.442 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.333 3.291 8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.668 3.338 8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.958 4.933 10.079 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.321 3.429 10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.956 4.836 11.953 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.976 4.844 10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.305 7.047 10.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.874 6.723 9.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.598 6.949 11.621 1.00 0.00 H new ATOM 227 N THR A 15 -3.578 7.828 6.688 1.00 0.00 N ATOM 228 CA THR A 15 -3.207 8.908 5.721 1.00 0.00 C ATOM 229 C THR A 15 -2.532 8.306 4.486 1.00 0.00 C ATOM 230 O THR A 15 -1.904 7.267 4.553 1.00 0.00 O ATOM 231 CB THR A 15 -2.251 9.913 6.383 1.00 0.00 C ATOM 232 OG1 THR A 15 -1.815 10.853 5.409 1.00 0.00 O ATOM 233 CG2 THR A 15 -1.038 9.180 6.967 1.00 0.00 C ATOM 0 H THR A 15 -3.185 7.937 7.623 1.00 0.00 H new ATOM 0 HA THR A 15 -4.119 9.424 5.419 1.00 0.00 H new ATOM 0 HB THR A 15 -2.773 10.430 7.189 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.206 11.498 5.826 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.367 9.901 7.434 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.373 8.460 7.714 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.510 8.657 6.169 1.00 0.00 H new ATOM 241 N GLY A 16 -2.642 8.964 3.362 1.00 0.00 N ATOM 242 CA GLY A 16 -1.992 8.451 2.119 1.00 0.00 C ATOM 243 C GLY A 16 -2.900 7.425 1.439 1.00 0.00 C ATOM 244 O GLY A 16 -3.071 7.437 0.237 1.00 0.00 O ATOM 0 H GLY A 16 -3.156 9.838 3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.789 9.277 1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.032 7.995 2.362 1.00 0.00 H new ATOM 248 N GLU A 17 -3.488 6.541 2.197 1.00 0.00 N ATOM 249 CA GLU A 17 -4.390 5.527 1.586 1.00 0.00 C ATOM 250 C GLU A 17 -5.614 6.246 1.021 1.00 0.00 C ATOM 251 O GLU A 17 -5.966 7.324 1.458 1.00 0.00 O ATOM 252 CB GLU A 17 -4.824 4.519 2.662 1.00 0.00 C ATOM 253 CG GLU A 17 -3.689 3.492 2.967 1.00 0.00 C ATOM 254 CD GLU A 17 -4.180 2.051 2.773 1.00 0.00 C ATOM 255 OE1 GLU A 17 -5.014 1.834 1.909 1.00 0.00 O ATOM 256 OE2 GLU A 17 -3.696 1.187 3.486 1.00 0.00 O ATOM 0 H GLU A 17 -3.383 6.478 3.210 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.875 4.992 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.091 5.051 3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.717 3.990 2.329 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.838 3.681 2.312 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.339 3.625 3.991 1.00 0.00 H new ATOM 263 N SER A 18 -6.261 5.668 0.047 1.00 0.00 N ATOM 264 CA SER A 18 -7.453 6.336 -0.549 1.00 0.00 C ATOM 265 C SER A 18 -8.330 5.307 -1.265 1.00 0.00 C ATOM 266 O SER A 18 -7.905 4.206 -1.552 1.00 0.00 O ATOM 267 CB SER A 18 -6.984 7.386 -1.555 1.00 0.00 C ATOM 268 OG SER A 18 -8.108 8.118 -2.025 1.00 0.00 O ATOM 0 H SER A 18 -6.017 4.765 -0.361 1.00 0.00 H new ATOM 0 HA SER A 18 -8.034 6.808 0.243 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.266 8.060 -1.087 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.473 6.905 -2.389 1.00 0.00 H new ATOM 0 HG SER A 18 -7.812 8.794 -2.670 1.00 0.00 H new ATOM 274 N GLN A 19 -9.555 5.666 -1.564 1.00 0.00 N ATOM 275 CA GLN A 19 -10.473 4.722 -2.277 1.00 0.00 C ATOM 276 C GLN A 19 -10.575 5.143 -3.743 1.00 0.00 C ATOM 277 O GLN A 19 -10.886 6.278 -4.051 1.00 0.00 O ATOM 278 CB GLN A 19 -11.866 4.786 -1.644 1.00 0.00 C ATOM 279 CG GLN A 19 -12.732 3.650 -2.199 1.00 0.00 C ATOM 280 CD GLN A 19 -14.203 3.928 -1.885 1.00 0.00 C ATOM 281 OE1 GLN A 19 -15.121 3.154 -2.393 1.00 0.00 O flip ATOM 282 NE2 GLN A 19 -14.520 4.861 -1.176 1.00 0.00 N flip ATOM 0 H GLN A 19 -9.960 6.576 -1.344 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.084 3.707 -2.203 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.789 4.702 -0.560 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.330 5.749 -1.857 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.589 3.563 -3.276 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.429 2.700 -1.760 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.802 5.467 -0.779 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.505 5.039 -0.978 1.00 0.00 H new ATOM 291 N ARG A 20 -10.324 4.243 -4.655 1.00 0.00 N ATOM 292 CA ARG A 20 -10.420 4.605 -6.101 1.00 0.00 C ATOM 293 C ARG A 20 -11.876 4.455 -6.556 1.00 0.00 C ATOM 294 O ARG A 20 -12.603 3.614 -6.066 1.00 0.00 O ATOM 295 CB ARG A 20 -9.514 3.690 -6.933 1.00 0.00 C ATOM 296 CG ARG A 20 -9.544 4.136 -8.403 1.00 0.00 C ATOM 297 CD ARG A 20 -8.332 3.576 -9.151 1.00 0.00 C ATOM 298 NE ARG A 20 -8.345 4.076 -10.557 1.00 0.00 N ATOM 299 CZ ARG A 20 -7.282 3.955 -11.307 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.206 3.398 -10.824 1.00 0.00 N ATOM 301 NH2 ARG A 20 -7.295 4.389 -12.539 1.00 0.00 N ATOM 0 H ARG A 20 -10.058 3.277 -4.464 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.096 5.636 -6.242 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.494 3.727 -6.552 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.848 2.656 -6.849 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.463 3.791 -8.876 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.545 5.224 -8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.411 3.880 -8.653 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.355 2.486 -9.140 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.186 4.513 -10.934 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.195 3.058 -9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.375 3.303 -11.408 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.136 4.824 -12.918 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.464 4.293 -13.122 1.00 0.00 H new ATOM 315 N LYS A 21 -12.308 5.275 -7.474 1.00 0.00 N ATOM 316 CA LYS A 21 -13.723 5.196 -7.947 1.00 0.00 C ATOM 317 C LYS A 21 -14.089 3.751 -8.297 1.00 0.00 C ATOM 318 O LYS A 21 -15.248 3.390 -8.322 1.00 0.00 O ATOM 319 CB LYS A 21 -13.900 6.068 -9.202 1.00 0.00 C ATOM 320 CG LYS A 21 -13.255 7.461 -8.994 1.00 0.00 C ATOM 321 CD LYS A 21 -11.876 7.514 -9.666 1.00 0.00 C ATOM 322 CE LYS A 21 -11.108 8.733 -9.157 1.00 0.00 C ATOM 323 NZ LYS A 21 -9.877 8.922 -9.973 1.00 0.00 N ATOM 0 H LYS A 21 -11.743 5.998 -7.919 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.374 5.552 -7.148 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.445 5.575 -10.061 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.961 6.182 -9.425 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.900 8.234 -9.411 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.156 7.668 -7.928 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.319 6.603 -9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.989 7.568 -10.749 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.736 9.622 -9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.844 8.598 -8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.355 9.752 -9.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.276 8.077 -9.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.140 9.069 -10.968 1.00 0.00 H new ATOM 337 N ASP A 22 -13.122 2.919 -8.586 1.00 0.00 N ATOM 338 CA ASP A 22 -13.447 1.503 -8.954 1.00 0.00 C ATOM 339 C ASP A 22 -13.484 0.611 -7.708 1.00 0.00 C ATOM 340 O ASP A 22 -14.176 -0.387 -7.687 1.00 0.00 O ATOM 341 CB ASP A 22 -12.386 0.976 -9.930 1.00 0.00 C ATOM 342 CG ASP A 22 -12.662 1.520 -11.334 1.00 0.00 C ATOM 343 OD1 ASP A 22 -13.437 2.456 -11.445 1.00 0.00 O ATOM 344 OD2 ASP A 22 -12.094 0.989 -12.274 1.00 0.00 O ATOM 0 H ASP A 22 -12.129 3.153 -8.584 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.430 1.481 -9.424 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.392 1.279 -9.601 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.399 -0.114 -9.943 1.00 0.00 H new ATOM 349 N GLY A 23 -12.763 0.959 -6.666 1.00 0.00 N ATOM 350 CA GLY A 23 -12.779 0.121 -5.419 1.00 0.00 C ATOM 351 C GLY A 23 -11.350 -0.194 -4.964 1.00 0.00 C ATOM 352 O GLY A 23 -11.082 -0.287 -3.782 1.00 0.00 O ATOM 0 H GLY A 23 -12.165 1.785 -6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.311 0.648 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.320 -0.807 -5.604 1.00 0.00 H new ATOM 356 N ARG A 24 -10.429 -0.368 -5.874 1.00 0.00 N ATOM 357 CA ARG A 24 -9.034 -0.681 -5.441 1.00 0.00 C ATOM 358 C ARG A 24 -8.515 0.472 -4.582 1.00 0.00 C ATOM 359 O ARG A 24 -8.882 1.615 -4.768 1.00 0.00 O ATOM 360 CB ARG A 24 -8.104 -0.906 -6.661 1.00 0.00 C ATOM 361 CG ARG A 24 -8.724 -0.325 -7.930 1.00 0.00 C ATOM 362 CD ARG A 24 -7.726 -0.481 -9.083 1.00 0.00 C ATOM 363 NE ARG A 24 -8.134 0.378 -10.243 1.00 0.00 N ATOM 364 CZ ARG A 24 -9.309 0.269 -10.801 1.00 0.00 C ATOM 365 NH1 ARG A 24 -10.109 -0.713 -10.482 1.00 0.00 N ATOM 366 NH2 ARG A 24 -9.663 1.115 -11.729 1.00 0.00 N ATOM 0 H ARG A 24 -10.576 -0.309 -6.882 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.040 -1.604 -4.861 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.136 -0.439 -6.477 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.923 -1.973 -6.795 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.656 -0.840 -8.165 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.969 0.727 -7.783 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.727 -0.202 -8.749 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.678 -1.525 -9.393 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.475 1.067 -10.606 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.818 -1.404 -9.791 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.025 -0.789 -10.924 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.023 1.856 -12.015 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.580 1.035 -12.169 1.00 0.00 H new ATOM 380 N TYR A 25 -7.671 0.177 -3.632 1.00 0.00 N ATOM 381 CA TYR A 25 -7.139 1.247 -2.751 1.00 0.00 C ATOM 382 C TYR A 25 -5.908 1.884 -3.396 1.00 0.00 C ATOM 383 O TYR A 25 -5.380 1.395 -4.376 1.00 0.00 O ATOM 384 CB TYR A 25 -6.770 0.641 -1.397 1.00 0.00 C ATOM 385 CG TYR A 25 -8.021 0.108 -0.732 1.00 0.00 C ATOM 386 CD1 TYR A 25 -8.958 0.998 -0.191 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.245 -1.274 -0.658 1.00 0.00 C ATOM 388 CE1 TYR A 25 -10.119 0.508 0.422 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.407 -1.763 -0.045 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.344 -0.872 0.495 1.00 0.00 C ATOM 391 OH TYR A 25 -11.490 -1.351 1.097 1.00 0.00 O ATOM 0 H TYR A 25 -7.328 -0.762 -3.430 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.896 2.018 -2.608 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.044 -0.162 -1.530 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.300 1.394 -0.764 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.785 2.063 -0.246 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.523 -1.961 -1.073 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.841 1.195 0.838 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.580 -2.828 0.011 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.784 -0.722 1.788 1.00 0.00 H new ATOM 401 N LEU A 26 -5.457 2.987 -2.860 1.00 0.00 N ATOM 402 CA LEU A 26 -4.271 3.686 -3.443 1.00 0.00 C ATOM 403 C LEU A 26 -3.442 4.321 -2.314 1.00 0.00 C ATOM 404 O LEU A 26 -3.934 5.131 -1.554 1.00 0.00 O ATOM 405 CB LEU A 26 -4.790 4.785 -4.385 1.00 0.00 C ATOM 406 CG LEU A 26 -3.687 5.274 -5.333 1.00 0.00 C ATOM 407 CD1 LEU A 26 -4.288 6.289 -6.314 1.00 0.00 C ATOM 408 CD2 LEU A 26 -2.550 5.941 -4.543 1.00 0.00 C ATOM 0 H LEU A 26 -5.861 3.437 -2.039 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.641 2.983 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.629 4.402 -4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.165 5.623 -3.798 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.280 4.420 -5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.512 6.643 -6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.083 5.813 -6.888 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.697 7.133 -5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.778 6.281 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.943 6.794 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.121 5.222 -3.845 1.00 0.00 H new ATOM 420 N TYR A 27 -2.181 3.970 -2.219 1.00 0.00 N ATOM 421 CA TYR A 27 -1.286 4.553 -1.167 1.00 0.00 C ATOM 422 C TYR A 27 -0.027 5.094 -1.847 1.00 0.00 C ATOM 423 O TYR A 27 0.274 4.741 -2.970 1.00 0.00 O ATOM 424 CB TYR A 27 -0.887 3.469 -0.164 1.00 0.00 C ATOM 425 CG TYR A 27 0.059 4.057 0.864 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.407 5.004 1.785 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.399 3.651 0.904 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.461 5.543 2.740 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.267 4.194 1.859 1.00 0.00 C ATOM 430 CZ TYR A 27 1.797 5.138 2.777 1.00 0.00 C ATOM 431 OH TYR A 27 2.653 5.669 3.721 1.00 0.00 O ATOM 0 H TYR A 27 -1.728 3.295 -2.834 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.809 5.351 -0.640 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.774 3.070 0.328 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.408 2.638 -0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.440 5.319 1.758 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.763 2.919 0.198 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.098 6.272 3.449 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.301 3.883 1.887 1.00 0.00 H new ATOM 0 HH TYR A 27 3.545 5.280 3.609 1.00 0.00 H new ATOM 441 N LYS A 28 0.703 5.958 -1.183 1.00 0.00 N ATOM 442 CA LYS A 28 1.945 6.541 -1.794 1.00 0.00 C ATOM 443 C LYS A 28 3.128 6.404 -0.829 1.00 0.00 C ATOM 444 O LYS A 28 3.011 6.637 0.358 1.00 0.00 O ATOM 445 CB LYS A 28 1.708 8.034 -2.077 1.00 0.00 C ATOM 446 CG LYS A 28 2.947 8.671 -2.772 1.00 0.00 C ATOM 447 CD LYS A 28 3.293 10.013 -2.113 1.00 0.00 C ATOM 448 CE LYS A 28 4.492 10.632 -2.829 1.00 0.00 C ATOM 449 NZ LYS A 28 4.832 11.934 -2.190 1.00 0.00 N ATOM 0 H LYS A 28 0.493 6.287 -0.241 1.00 0.00 H new ATOM 0 HA LYS A 28 2.172 6.007 -2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.829 8.153 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.501 8.557 -1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.799 7.994 -2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.742 8.820 -3.832 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.438 10.687 -2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.522 9.865 -1.058 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.346 9.957 -2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.262 10.781 -3.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.648 12.357 -2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.017 12.577 -2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.068 11.778 -1.189 1.00 0.00 H new ATOM 463 N TYR A 29 4.278 6.056 -1.349 1.00 0.00 N ATOM 464 CA TYR A 29 5.503 5.931 -0.500 1.00 0.00 C ATOM 465 C TYR A 29 6.686 6.497 -1.304 1.00 0.00 C ATOM 466 O TYR A 29 6.592 6.657 -2.504 1.00 0.00 O ATOM 467 CB TYR A 29 5.741 4.454 -0.136 1.00 0.00 C ATOM 468 CG TYR A 29 6.373 3.715 -1.294 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.609 3.391 -2.418 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.727 3.361 -1.240 1.00 0.00 C ATOM 471 CE1 TYR A 29 6.198 2.711 -3.488 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.319 2.682 -2.311 1.00 0.00 C ATOM 473 CZ TYR A 29 7.553 2.357 -3.437 1.00 0.00 C ATOM 474 OH TYR A 29 8.131 1.689 -4.498 1.00 0.00 O ATOM 0 H TYR A 29 4.422 5.851 -2.338 1.00 0.00 H new ATOM 0 HA TYR A 29 5.389 6.485 0.432 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.387 4.389 0.740 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.795 3.983 0.130 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.565 3.665 -2.460 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.315 3.613 -0.370 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.607 2.458 -4.356 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.363 2.410 -2.269 1.00 0.00 H new ATOM 0 HH TYR A 29 8.957 2.146 -4.761 1.00 0.00 H new ATOM 484 N ILE A 30 7.788 6.812 -0.663 1.00 0.00 N ATOM 485 CA ILE A 30 8.968 7.380 -1.405 1.00 0.00 C ATOM 486 C ILE A 30 10.113 6.368 -1.424 1.00 0.00 C ATOM 487 O ILE A 30 10.419 5.740 -0.429 1.00 0.00 O ATOM 488 CB ILE A 30 9.418 8.669 -0.716 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.264 9.679 -0.789 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.652 9.237 -1.430 1.00 0.00 C ATOM 491 CD1 ILE A 30 8.642 11.000 -0.107 1.00 0.00 C ATOM 0 H ILE A 30 7.924 6.701 0.342 1.00 0.00 H new ATOM 0 HA ILE A 30 8.681 7.597 -2.434 1.00 0.00 H new ATOM 0 HB ILE A 30 9.679 8.469 0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.005 9.865 -1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.379 9.260 -0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.968 10.155 -0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.461 8.508 -1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.404 9.452 -2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.806 11.696 -0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.876 10.814 0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.512 11.429 -0.603 1.00 0.00 H new ATOM 503 N ASP A 31 10.751 6.204 -2.557 1.00 0.00 N ATOM 504 CA ASP A 31 11.879 5.237 -2.653 1.00 0.00 C ATOM 505 C ASP A 31 13.174 5.917 -2.202 1.00 0.00 C ATOM 506 O ASP A 31 13.221 7.115 -2.003 1.00 0.00 O ATOM 507 CB ASP A 31 12.022 4.767 -4.102 1.00 0.00 C ATOM 508 CG ASP A 31 10.693 4.178 -4.576 1.00 0.00 C ATOM 509 OD1 ASP A 31 9.663 4.706 -4.190 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.728 3.213 -5.320 1.00 0.00 O ATOM 0 H ASP A 31 10.535 6.702 -3.421 1.00 0.00 H new ATOM 0 HA ASP A 31 11.680 4.379 -2.011 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.311 5.602 -4.740 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.812 4.020 -4.178 1.00 0.00 H new ATOM 515 N SER A 32 14.224 5.162 -2.042 1.00 0.00 N ATOM 516 CA SER A 32 15.523 5.757 -1.605 1.00 0.00 C ATOM 517 C SER A 32 16.005 6.800 -2.619 1.00 0.00 C ATOM 518 O SER A 32 17.094 7.322 -2.500 1.00 0.00 O ATOM 519 CB SER A 32 16.578 4.657 -1.467 1.00 0.00 C ATOM 520 OG SER A 32 16.651 3.914 -2.677 1.00 0.00 O ATOM 0 H SER A 32 14.241 4.154 -2.195 1.00 0.00 H new ATOM 0 HA SER A 32 15.373 6.244 -0.641 1.00 0.00 H new ATOM 0 HB2 SER A 32 17.549 5.097 -1.239 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.324 3.997 -0.638 1.00 0.00 H new ATOM 0 HG SER A 32 17.328 3.211 -2.589 1.00 0.00 H new ATOM 526 N PHE A 33 15.213 7.109 -3.616 1.00 0.00 N ATOM 527 CA PHE A 33 15.644 8.119 -4.632 1.00 0.00 C ATOM 528 C PHE A 33 15.005 9.468 -4.310 1.00 0.00 C ATOM 529 O PHE A 33 15.440 10.499 -4.785 1.00 0.00 O ATOM 530 CB PHE A 33 15.175 7.669 -6.013 1.00 0.00 C ATOM 531 CG PHE A 33 15.820 6.351 -6.363 1.00 0.00 C ATOM 532 CD1 PHE A 33 15.381 5.176 -5.742 1.00 0.00 C ATOM 533 CD2 PHE A 33 16.848 6.302 -7.311 1.00 0.00 C ATOM 534 CE1 PHE A 33 15.971 3.950 -6.067 1.00 0.00 C ATOM 535 CE2 PHE A 33 17.439 5.077 -7.637 1.00 0.00 C ATOM 536 CZ PHE A 33 17.001 3.900 -7.015 1.00 0.00 C ATOM 0 H PHE A 33 14.289 6.707 -3.770 1.00 0.00 H new ATOM 0 HA PHE A 33 16.730 8.212 -4.616 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.090 7.568 -6.024 1.00 0.00 H new ATOM 0 HB3 PHE A 33 15.433 8.421 -6.759 1.00 0.00 H new ATOM 0 HD1 PHE A 33 14.586 5.216 -5.012 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.185 7.209 -7.791 1.00 0.00 H new ATOM 0 HE1 PHE A 33 15.633 3.043 -5.588 1.00 0.00 H new ATOM 0 HE2 PHE A 33 18.233 5.038 -8.368 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.458 2.954 -7.267 1.00 0.00 H new ATOM 546 N GLY A 34 13.976 9.475 -3.507 1.00 0.00 N ATOM 547 CA GLY A 34 13.314 10.766 -3.158 1.00 0.00 C ATOM 548 C GLY A 34 12.210 11.048 -4.172 1.00 0.00 C ATOM 549 O GLY A 34 11.484 12.017 -4.065 1.00 0.00 O ATOM 0 H GLY A 34 13.565 8.646 -3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.897 10.716 -2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.043 11.576 -3.161 1.00 0.00 H new ATOM 553 N GLU A 35 12.070 10.202 -5.155 1.00 0.00 N ATOM 554 CA GLU A 35 11.004 10.413 -6.170 1.00 0.00 C ATOM 555 C GLU A 35 9.695 9.827 -5.619 1.00 0.00 C ATOM 556 O GLU A 35 9.710 8.794 -4.980 1.00 0.00 O ATOM 557 CB GLU A 35 11.390 9.691 -7.469 1.00 0.00 C ATOM 558 CG GLU A 35 11.338 8.173 -7.256 1.00 0.00 C ATOM 559 CD GLU A 35 12.023 7.465 -8.425 1.00 0.00 C ATOM 560 OE1 GLU A 35 12.076 8.048 -9.496 1.00 0.00 O ATOM 561 OE2 GLU A 35 12.479 6.350 -8.233 1.00 0.00 O ATOM 0 H GLU A 35 12.648 9.374 -5.298 1.00 0.00 H new ATOM 0 HA GLU A 35 10.880 11.476 -6.379 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.710 9.978 -8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.392 9.990 -7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.831 7.910 -6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.302 7.843 -7.175 1.00 0.00 H new ATOM 568 N PRO A 36 8.569 10.457 -5.856 1.00 0.00 N ATOM 569 CA PRO A 36 7.262 9.940 -5.357 1.00 0.00 C ATOM 570 C PRO A 36 6.853 8.663 -6.100 1.00 0.00 C ATOM 571 O PRO A 36 7.128 8.508 -7.274 1.00 0.00 O ATOM 572 CB PRO A 36 6.279 11.082 -5.652 1.00 0.00 C ATOM 573 CG PRO A 36 6.891 11.835 -6.789 1.00 0.00 C ATOM 574 CD PRO A 36 8.406 11.711 -6.614 1.00 0.00 C ATOM 0 HA PRO A 36 7.294 9.671 -4.301 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.295 10.697 -5.918 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.145 11.723 -4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.574 11.421 -7.746 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.581 12.880 -6.776 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.918 11.667 -7.575 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.818 12.563 -6.072 1.00 0.00 H new ATOM 582 N GLN A 37 6.207 7.748 -5.429 1.00 0.00 N ATOM 583 CA GLN A 37 5.786 6.482 -6.091 1.00 0.00 C ATOM 584 C GLN A 37 4.380 6.126 -5.582 1.00 0.00 C ATOM 585 O GLN A 37 3.997 6.526 -4.501 1.00 0.00 O ATOM 586 CB GLN A 37 6.807 5.390 -5.711 1.00 0.00 C ATOM 587 CG GLN A 37 7.077 4.459 -6.898 1.00 0.00 C ATOM 588 CD GLN A 37 7.986 5.171 -7.903 1.00 0.00 C ATOM 589 OE1 GLN A 37 8.319 6.416 -7.689 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 8.399 4.590 -8.886 1.00 0.00 N flip ATOM 0 H GLN A 37 5.952 7.825 -4.444 1.00 0.00 H new ATOM 0 HA GLN A 37 5.754 6.577 -7.176 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.739 5.854 -5.388 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.430 4.811 -4.868 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.548 3.538 -6.553 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.138 4.178 -7.375 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.138 3.618 -9.051 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.007 5.074 -9.547 1.00 0.00 H new ATOM 599 N PHE A 38 3.601 5.398 -6.350 1.00 0.00 N ATOM 600 CA PHE A 38 2.216 5.041 -5.900 1.00 0.00 C ATOM 601 C PHE A 38 1.993 3.538 -6.048 1.00 0.00 C ATOM 602 O PHE A 38 2.533 2.902 -6.933 1.00 0.00 O ATOM 603 CB PHE A 38 1.198 5.777 -6.769 1.00 0.00 C ATOM 604 CG PHE A 38 1.424 7.268 -6.680 1.00 0.00 C ATOM 605 CD1 PHE A 38 0.769 8.021 -5.699 1.00 0.00 C ATOM 606 CD2 PHE A 38 2.285 7.898 -7.588 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.974 9.404 -5.627 1.00 0.00 C ATOM 608 CE2 PHE A 38 2.490 9.280 -7.515 1.00 0.00 C ATOM 609 CZ PHE A 38 1.834 10.034 -6.536 1.00 0.00 C ATOM 0 H PHE A 38 3.864 5.037 -7.267 1.00 0.00 H new ATOM 0 HA PHE A 38 2.096 5.327 -4.855 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.287 5.449 -7.805 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.187 5.534 -6.443 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.106 7.536 -4.998 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.791 7.317 -8.345 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.469 9.986 -4.870 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.155 9.765 -8.215 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.990 11.101 -6.481 1.00 0.00 H new ATOM 619 N VAL A 39 1.185 2.971 -5.188 1.00 0.00 N ATOM 620 CA VAL A 39 0.889 1.509 -5.257 1.00 0.00 C ATOM 621 C VAL A 39 -0.632 1.321 -5.207 1.00 0.00 C ATOM 622 O VAL A 39 -1.337 2.034 -4.520 1.00 0.00 O ATOM 623 CB VAL A 39 1.558 0.786 -4.070 1.00 0.00 C ATOM 624 CG1 VAL A 39 2.970 0.331 -4.456 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.656 1.736 -2.872 1.00 0.00 C ATOM 0 H VAL A 39 0.712 3.466 -4.432 1.00 0.00 H new ATOM 0 HA VAL A 39 1.281 1.086 -6.182 1.00 0.00 H new ATOM 0 HB VAL A 39 0.954 -0.082 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.432 -0.178 -3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.913 -0.352 -5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.570 1.199 -4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.129 1.220 -2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.252 2.606 -3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.656 2.058 -2.580 1.00 0.00 H new ATOM 635 N TYR A 40 -1.133 0.365 -5.945 1.00 0.00 N ATOM 636 CA TYR A 40 -2.605 0.099 -5.982 1.00 0.00 C ATOM 637 C TYR A 40 -2.870 -1.303 -5.442 1.00 0.00 C ATOM 638 O TYR A 40 -1.982 -2.130 -5.384 1.00 0.00 O ATOM 639 CB TYR A 40 -3.085 0.175 -7.432 1.00 0.00 C ATOM 640 CG TYR A 40 -3.051 1.611 -7.895 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.829 2.214 -8.221 1.00 0.00 C ATOM 642 CD2 TYR A 40 -4.241 2.339 -7.996 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.798 3.547 -8.648 1.00 0.00 C ATOM 644 CE2 TYR A 40 -4.213 3.668 -8.421 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.993 4.276 -8.747 1.00 0.00 C ATOM 646 OH TYR A 40 -2.969 5.591 -9.169 1.00 0.00 O ATOM 0 H TYR A 40 -0.576 -0.254 -6.534 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.133 0.835 -5.376 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.450 -0.440 -8.070 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.097 -0.221 -7.513 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.911 1.651 -8.143 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.182 1.872 -7.745 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.857 4.013 -8.901 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.133 4.229 -8.499 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.882 5.947 -9.182 1.00 0.00 H new ATOM 656 N SER A 41 -4.078 -1.584 -5.039 1.00 0.00 N ATOM 657 CA SER A 41 -4.367 -2.943 -4.501 1.00 0.00 C ATOM 658 C SER A 41 -5.873 -3.143 -4.354 1.00 0.00 C ATOM 659 O SER A 41 -6.621 -2.209 -4.152 1.00 0.00 O ATOM 660 CB SER A 41 -3.718 -3.091 -3.128 1.00 0.00 C ATOM 661 OG SER A 41 -3.816 -4.446 -2.706 1.00 0.00 O ATOM 0 H SER A 41 -4.869 -0.940 -5.058 1.00 0.00 H new ATOM 0 HA SER A 41 -3.968 -3.686 -5.191 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.672 -2.787 -3.172 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.210 -2.437 -2.408 1.00 0.00 H new ATOM 0 HG SER A 41 -2.941 -4.754 -2.390 1.00 0.00 H new ATOM 667 N TRP A 42 -6.319 -4.368 -4.438 1.00 0.00 N ATOM 668 CA TRP A 42 -7.771 -4.657 -4.283 1.00 0.00 C ATOM 669 C TRP A 42 -8.053 -5.011 -2.822 1.00 0.00 C ATOM 670 O TRP A 42 -9.142 -5.425 -2.473 1.00 0.00 O ATOM 671 CB TRP A 42 -8.146 -5.841 -5.178 1.00 0.00 C ATOM 672 CG TRP A 42 -8.269 -5.391 -6.596 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.412 -5.716 -7.587 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.296 -4.551 -7.199 1.00 0.00 C ATOM 675 NE1 TRP A 42 -7.848 -5.134 -8.761 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.004 -4.404 -8.573 1.00 0.00 C ATOM 677 CE3 TRP A 42 -10.441 -3.909 -6.690 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -9.821 -3.650 -9.417 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -11.264 -3.147 -7.536 1.00 0.00 C ATOM 680 CH2 TRP A 42 -10.954 -3.019 -8.897 1.00 0.00 C ATOM 0 H TRP A 42 -5.734 -5.186 -4.609 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.359 -3.785 -4.570 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.388 -6.621 -5.100 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.087 -6.277 -4.843 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.530 -6.330 -7.479 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.373 -5.232 -9.658 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.688 -4.003 -5.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.579 -3.555 -10.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.140 -2.658 -7.136 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -11.591 -2.433 -9.543 1.00 0.00 H new ATOM 691 N LYS A 43 -7.077 -4.859 -1.964 1.00 0.00 N ATOM 692 CA LYS A 43 -7.284 -5.194 -0.520 1.00 0.00 C ATOM 693 C LYS A 43 -6.519 -4.206 0.371 1.00 0.00 C ATOM 694 O LYS A 43 -5.469 -3.709 0.016 1.00 0.00 O ATOM 695 CB LYS A 43 -6.770 -6.618 -0.253 1.00 0.00 C ATOM 696 CG LYS A 43 -5.552 -6.896 -1.142 1.00 0.00 C ATOM 697 CD LYS A 43 -4.757 -8.103 -0.606 1.00 0.00 C ATOM 698 CE LYS A 43 -5.391 -9.405 -1.107 1.00 0.00 C ATOM 699 NZ LYS A 43 -4.791 -10.562 -0.383 1.00 0.00 N ATOM 0 H LYS A 43 -6.145 -4.517 -2.199 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.347 -5.130 -0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.500 -6.728 0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.556 -7.344 -0.457 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.877 -7.092 -2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.910 -6.016 -1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.720 -8.042 -0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.747 -8.088 0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.469 -9.382 -0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.230 -9.511 -2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.363 -11.414 -0.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.822 -10.721 -0.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.769 -10.360 0.637 1.00 0.00 H new ATOM 713 N LEU A 44 -7.041 -3.948 1.542 1.00 0.00 N ATOM 714 CA LEU A 44 -6.367 -3.021 2.501 1.00 0.00 C ATOM 715 C LEU A 44 -5.497 -3.848 3.453 1.00 0.00 C ATOM 716 O LEU A 44 -4.376 -3.489 3.755 1.00 0.00 O ATOM 717 CB LEU A 44 -7.441 -2.264 3.296 1.00 0.00 C ATOM 718 CG LEU A 44 -6.801 -1.398 4.393 1.00 0.00 C ATOM 719 CD1 LEU A 44 -5.822 -0.394 3.772 1.00 0.00 C ATOM 720 CD2 LEU A 44 -7.912 -0.644 5.144 1.00 0.00 C ATOM 0 H LEU A 44 -7.918 -4.346 1.879 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.742 -2.305 1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.022 -1.634 2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.135 -2.974 3.746 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.252 -2.036 5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.375 0.213 4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.038 -0.932 3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.356 0.251 3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.469 -0.026 5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.458 -0.010 4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.598 -1.361 5.594 1.00 0.00 H new ATOM 732 N VAL A 45 -6.017 -4.958 3.926 1.00 0.00 N ATOM 733 CA VAL A 45 -5.243 -5.840 4.865 1.00 0.00 C ATOM 734 C VAL A 45 -5.112 -7.238 4.259 1.00 0.00 C ATOM 735 O VAL A 45 -5.881 -7.632 3.405 1.00 0.00 O ATOM 736 CB VAL A 45 -5.974 -5.941 6.208 1.00 0.00 C ATOM 737 CG1 VAL A 45 -5.945 -4.585 6.913 1.00 0.00 C ATOM 738 CG2 VAL A 45 -7.432 -6.359 5.980 1.00 0.00 C ATOM 0 H VAL A 45 -6.953 -5.295 3.700 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.254 -5.411 5.023 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.475 -6.687 6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.466 -4.660 7.868 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.911 -4.287 7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.438 -3.840 6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.945 -6.429 6.939 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.930 -5.617 5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.459 -7.329 5.483 1.00 0.00 H new ATOM 748 N ALA A 46 -4.134 -7.988 4.693 1.00 0.00 N ATOM 749 CA ALA A 46 -3.933 -9.359 4.143 1.00 0.00 C ATOM 750 C ALA A 46 -5.118 -10.256 4.513 1.00 0.00 C ATOM 751 O ALA A 46 -5.258 -11.350 4.002 1.00 0.00 O ATOM 752 CB ALA A 46 -2.636 -9.948 4.705 1.00 0.00 C ATOM 0 H ALA A 46 -3.463 -7.708 5.408 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.865 -9.303 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.488 -10.951 4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.796 -9.315 4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.700 -9.998 5.792 1.00 0.00 H new ATOM 758 N THR A 47 -5.970 -9.812 5.398 1.00 0.00 N ATOM 759 CA THR A 47 -7.140 -10.654 5.797 1.00 0.00 C ATOM 760 C THR A 47 -8.340 -10.354 4.890 1.00 0.00 C ATOM 761 O THR A 47 -9.356 -11.017 4.956 1.00 0.00 O ATOM 762 CB THR A 47 -7.510 -10.336 7.248 1.00 0.00 C ATOM 763 OG1 THR A 47 -7.931 -8.983 7.338 1.00 0.00 O ATOM 764 CG2 THR A 47 -6.290 -10.555 8.142 1.00 0.00 C ATOM 0 H THR A 47 -5.909 -8.906 5.862 1.00 0.00 H new ATOM 0 HA THR A 47 -6.876 -11.707 5.699 1.00 0.00 H new ATOM 0 HB THR A 47 -8.318 -10.991 7.574 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.170 -8.776 8.265 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.551 -10.329 9.176 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.966 -11.593 8.068 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.481 -9.899 7.821 1.00 0.00 H new ATOM 772 N ASP A 48 -8.236 -9.368 4.043 1.00 0.00 N ATOM 773 CA ASP A 48 -9.378 -9.041 3.140 1.00 0.00 C ATOM 774 C ASP A 48 -9.538 -10.136 2.079 1.00 0.00 C ATOM 775 O ASP A 48 -8.792 -11.093 2.038 1.00 0.00 O ATOM 776 CB ASP A 48 -9.116 -7.702 2.455 1.00 0.00 C ATOM 777 CG ASP A 48 -9.219 -6.575 3.481 1.00 0.00 C ATOM 778 OD1 ASP A 48 -9.862 -6.782 4.498 1.00 0.00 O ATOM 779 OD2 ASP A 48 -8.650 -5.523 3.237 1.00 0.00 O ATOM 0 H ASP A 48 -7.413 -8.775 3.936 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.293 -8.979 3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.126 -7.703 1.998 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.837 -7.545 1.653 1.00 0.00 H new ATOM 784 N ARG A 49 -10.514 -9.994 1.216 1.00 0.00 N ATOM 785 CA ARG A 49 -10.745 -11.014 0.143 1.00 0.00 C ATOM 786 C ARG A 49 -11.172 -10.300 -1.145 1.00 0.00 C ATOM 787 O ARG A 49 -12.169 -9.606 -1.176 1.00 0.00 O ATOM 788 CB ARG A 49 -11.855 -11.975 0.597 1.00 0.00 C ATOM 789 CG ARG A 49 -12.199 -12.976 -0.519 1.00 0.00 C ATOM 790 CD ARG A 49 -10.961 -13.802 -0.896 1.00 0.00 C ATOM 791 NE ARG A 49 -11.387 -15.078 -1.572 1.00 0.00 N ATOM 792 CZ ARG A 49 -12.147 -15.953 -0.967 1.00 0.00 C ATOM 793 NH1 ARG A 49 -12.435 -15.815 0.299 1.00 0.00 N ATOM 794 NH2 ARG A 49 -12.587 -16.996 -1.619 1.00 0.00 N ATOM 0 H ARG A 49 -11.166 -9.210 1.208 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.830 -11.577 -0.042 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.534 -12.513 1.489 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.745 -11.408 0.870 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.999 -13.638 -0.189 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.568 -12.442 -1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.316 -13.226 -1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.378 -14.029 -0.003 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.075 -15.264 -2.525 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.066 -15.021 0.822 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.029 -16.501 0.765 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.338 -17.127 -2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.180 -17.679 -1.148 1.00 0.00 H new ATOM 808 N VAL A 50 -10.428 -10.464 -2.211 1.00 0.00 N ATOM 809 CA VAL A 50 -10.803 -9.793 -3.488 1.00 0.00 C ATOM 810 C VAL A 50 -11.892 -10.622 -4.197 1.00 0.00 C ATOM 811 O VAL A 50 -11.828 -11.835 -4.190 1.00 0.00 O ATOM 812 CB VAL A 50 -9.576 -9.715 -4.410 1.00 0.00 C ATOM 813 CG1 VAL A 50 -8.403 -9.070 -3.687 1.00 0.00 C ATOM 814 CG2 VAL A 50 -9.173 -11.119 -4.876 1.00 0.00 C ATOM 0 H VAL A 50 -9.581 -11.031 -2.250 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.171 -8.790 -3.271 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.840 -9.107 -5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.544 -9.024 -4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.676 -8.061 -3.378 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.147 -9.662 -2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.303 -11.050 -5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.929 -11.734 -4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.000 -11.573 -5.422 1.00 0.00 H new ATOM 824 N PRO A 51 -12.865 -10.002 -4.838 1.00 0.00 N ATOM 825 CA PRO A 51 -13.911 -10.771 -5.568 1.00 0.00 C ATOM 826 C PRO A 51 -13.266 -11.825 -6.479 1.00 0.00 C ATOM 827 O PRO A 51 -12.194 -11.621 -7.012 1.00 0.00 O ATOM 828 CB PRO A 51 -14.660 -9.713 -6.399 1.00 0.00 C ATOM 829 CG PRO A 51 -14.396 -8.399 -5.720 1.00 0.00 C ATOM 830 CD PRO A 51 -13.081 -8.544 -4.934 1.00 0.00 C ATOM 0 HA PRO A 51 -14.577 -11.312 -4.895 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.303 -9.700 -7.429 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.728 -9.928 -6.434 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -14.318 -7.597 -6.454 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -15.217 -8.141 -5.051 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.255 -8.054 -5.449 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -13.157 -8.088 -3.947 1.00 0.00 H new ATOM 838 N ALA A 52 -13.898 -12.950 -6.653 1.00 0.00 N ATOM 839 CA ALA A 52 -13.304 -14.008 -7.521 1.00 0.00 C ATOM 840 C ALA A 52 -12.852 -13.406 -8.851 1.00 0.00 C ATOM 841 O ALA A 52 -11.755 -13.652 -9.313 1.00 0.00 O ATOM 842 CB ALA A 52 -14.340 -15.103 -7.782 1.00 0.00 C ATOM 0 H ALA A 52 -14.798 -13.185 -6.234 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.441 -14.437 -7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.903 -15.874 -8.416 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.649 -15.545 -6.835 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.208 -14.672 -8.281 1.00 0.00 H new ATOM 848 N GLY A 53 -13.686 -12.627 -9.473 1.00 0.00 N ATOM 849 CA GLY A 53 -13.303 -12.018 -10.777 1.00 0.00 C ATOM 850 C GLY A 53 -11.938 -11.335 -10.650 1.00 0.00 C ATOM 851 O GLY A 53 -11.264 -11.099 -11.633 1.00 0.00 O ATOM 0 H GLY A 53 -14.618 -12.384 -9.137 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.265 -12.786 -11.550 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.056 -11.292 -11.085 1.00 0.00 H new ATOM 855 N LYS A 54 -11.528 -11.004 -9.450 1.00 0.00 N ATOM 856 CA LYS A 54 -10.216 -10.325 -9.258 1.00 0.00 C ATOM 857 C LYS A 54 -9.176 -11.331 -8.752 1.00 0.00 C ATOM 858 O LYS A 54 -9.463 -12.170 -7.922 1.00 0.00 O ATOM 859 CB LYS A 54 -10.409 -9.228 -8.226 1.00 0.00 C ATOM 860 CG LYS A 54 -11.567 -8.314 -8.649 1.00 0.00 C ATOM 861 CD LYS A 54 -11.290 -7.698 -10.033 1.00 0.00 C ATOM 862 CE LYS A 54 -12.084 -6.394 -10.197 1.00 0.00 C ATOM 863 NZ LYS A 54 -13.547 -6.684 -10.174 1.00 0.00 N ATOM 0 H LYS A 54 -12.052 -11.178 -8.592 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.863 -9.908 -10.201 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.618 -9.667 -7.250 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.493 -8.646 -8.125 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.496 -8.884 -8.677 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.701 -7.522 -7.912 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.224 -7.501 -10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.568 -8.403 -10.816 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.829 -5.700 -9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.815 -5.910 -11.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.076 -5.819 -10.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.766 -7.420 -10.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.820 -7.016 -9.227 1.00 0.00 H new ATOM 877 N ARG A 55 -7.968 -11.250 -9.245 1.00 0.00 N ATOM 878 CA ARG A 55 -6.909 -12.199 -8.790 1.00 0.00 C ATOM 879 C ARG A 55 -6.405 -11.784 -7.402 1.00 0.00 C ATOM 880 O ARG A 55 -6.562 -10.655 -6.986 1.00 0.00 O ATOM 881 CB ARG A 55 -5.748 -12.224 -9.803 1.00 0.00 C ATOM 882 CG ARG A 55 -5.003 -10.876 -9.853 1.00 0.00 C ATOM 883 CD ARG A 55 -5.865 -9.791 -10.513 1.00 0.00 C ATOM 884 NE ARG A 55 -4.977 -8.743 -11.087 1.00 0.00 N ATOM 885 CZ ARG A 55 -5.452 -7.879 -11.941 1.00 0.00 C ATOM 886 NH1 ARG A 55 -6.697 -7.957 -12.323 1.00 0.00 N ATOM 887 NH2 ARG A 55 -4.680 -6.941 -12.416 1.00 0.00 N ATOM 0 H ARG A 55 -7.669 -10.568 -9.942 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.329 -13.203 -8.725 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.049 -13.016 -9.535 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.135 -12.462 -10.794 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.736 -10.567 -8.842 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.072 -10.992 -10.408 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.485 -10.228 -11.296 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.541 -9.351 -9.780 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.996 -8.701 -10.812 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -7.299 -8.693 -11.954 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.069 -7.282 -12.991 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.706 -6.884 -12.120 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.051 -6.265 -13.084 1.00 0.00 H new ATOM 901 N ASP A 56 -5.804 -12.695 -6.683 1.00 0.00 N ATOM 902 CA ASP A 56 -5.293 -12.362 -5.320 1.00 0.00 C ATOM 903 C ASP A 56 -4.148 -11.353 -5.418 1.00 0.00 C ATOM 904 O ASP A 56 -3.577 -11.145 -6.471 1.00 0.00 O ATOM 905 CB ASP A 56 -4.786 -13.634 -4.642 1.00 0.00 C ATOM 906 CG ASP A 56 -3.650 -14.231 -5.472 1.00 0.00 C ATOM 907 OD1 ASP A 56 -3.649 -14.024 -6.675 1.00 0.00 O ATOM 908 OD2 ASP A 56 -2.798 -14.884 -4.892 1.00 0.00 O ATOM 0 H ASP A 56 -5.644 -13.657 -6.981 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.103 -11.928 -4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.436 -13.408 -3.635 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.597 -14.355 -4.543 1.00 0.00 H new ATOM 913 N CYS A 57 -3.806 -10.726 -4.324 1.00 0.00 N ATOM 914 CA CYS A 57 -2.699 -9.732 -4.345 1.00 0.00 C ATOM 915 C CYS A 57 -2.231 -9.470 -2.911 1.00 0.00 C ATOM 916 O CYS A 57 -2.829 -9.926 -1.959 1.00 0.00 O ATOM 917 CB CYS A 57 -3.200 -8.430 -4.985 1.00 0.00 C ATOM 918 SG CYS A 57 -4.952 -8.205 -4.592 1.00 0.00 S ATOM 0 H CYS A 57 -4.248 -10.861 -3.415 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.863 -10.116 -4.929 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.621 -7.584 -4.615 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.060 -8.465 -6.065 1.00 0.00 H new ATOM 0 HG CYS A 57 -5.575 -7.742 -5.635 1.00 0.00 H new ATOM 924 N ILE A 58 -1.155 -8.749 -2.757 1.00 0.00 N ATOM 925 CA ILE A 58 -0.630 -8.457 -1.393 1.00 0.00 C ATOM 926 C ILE A 58 -1.257 -7.167 -0.850 1.00 0.00 C ATOM 927 O ILE A 58 -1.308 -6.158 -1.523 1.00 0.00 O ATOM 928 CB ILE A 58 0.883 -8.293 -1.471 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.500 -9.599 -1.972 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.428 -7.968 -0.084 1.00 0.00 C ATOM 931 CD1 ILE A 58 2.976 -9.375 -2.295 1.00 0.00 C ATOM 0 H ILE A 58 -0.613 -8.347 -3.522 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.883 -9.279 -0.724 1.00 0.00 H new ATOM 0 HB ILE A 58 1.134 -7.483 -2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.396 -10.376 -1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.971 -9.946 -2.860 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.510 -7.850 -0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.979 -7.042 0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.184 -8.779 0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.416 -10.306 -2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.068 -8.611 -3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.499 -9.048 -1.397 1.00 0.00 H new ATOM 943 N SER A 59 -1.719 -7.191 0.371 1.00 0.00 N ATOM 944 CA SER A 59 -2.329 -5.966 0.967 1.00 0.00 C ATOM 945 C SER A 59 -1.297 -4.839 0.957 1.00 0.00 C ATOM 946 O SER A 59 -0.107 -5.079 0.991 1.00 0.00 O ATOM 947 CB SER A 59 -2.744 -6.263 2.404 1.00 0.00 C ATOM 948 OG SER A 59 -1.582 -6.431 3.207 1.00 0.00 O ATOM 0 H SER A 59 -1.701 -8.007 0.983 1.00 0.00 H new ATOM 0 HA SER A 59 -3.203 -5.667 0.389 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.354 -5.448 2.794 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.356 -7.164 2.438 1.00 0.00 H new ATOM 0 HG SER A 59 -1.848 -6.620 4.131 1.00 0.00 H new ATOM 954 N LEU A 60 -1.738 -3.613 0.907 1.00 0.00 N ATOM 955 CA LEU A 60 -0.768 -2.485 0.889 1.00 0.00 C ATOM 956 C LEU A 60 0.070 -2.499 2.170 1.00 0.00 C ATOM 957 O LEU A 60 1.277 -2.385 2.125 1.00 0.00 O ATOM 958 CB LEU A 60 -1.527 -1.156 0.788 1.00 0.00 C ATOM 959 CG LEU A 60 -2.095 -0.968 -0.630 1.00 0.00 C ATOM 960 CD1 LEU A 60 -3.179 0.118 -0.598 1.00 0.00 C ATOM 961 CD2 LEU A 60 -0.988 -0.542 -1.612 1.00 0.00 C ATOM 0 H LEU A 60 -2.722 -3.345 0.878 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.109 -2.594 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.337 -1.137 1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.860 -0.329 1.032 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.515 -1.916 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.585 0.256 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.978 -0.185 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.745 1.055 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.414 -0.415 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.551 0.400 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.214 -1.309 -1.643 1.00 0.00 H new ATOM 973 N ARG A 61 -0.553 -2.642 3.312 1.00 0.00 N ATOM 974 CA ARG A 61 0.217 -2.659 4.598 1.00 0.00 C ATOM 975 C ARG A 61 1.477 -3.512 4.437 1.00 0.00 C ATOM 976 O ARG A 61 2.554 -3.134 4.853 1.00 0.00 O ATOM 977 CB ARG A 61 -0.656 -3.282 5.696 1.00 0.00 C ATOM 978 CG ARG A 61 -1.989 -2.520 5.835 1.00 0.00 C ATOM 979 CD ARG A 61 -1.858 -1.402 6.873 1.00 0.00 C ATOM 980 NE ARG A 61 -3.117 -0.609 6.899 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.374 0.172 7.910 1.00 0.00 C ATOM 982 NH1 ARG A 61 -2.537 0.240 8.908 1.00 0.00 N ATOM 983 NH2 ARG A 61 -4.474 0.876 7.927 1.00 0.00 N ATOM 0 H ARG A 61 -1.563 -2.748 3.412 1.00 0.00 H new ATOM 0 HA ARG A 61 0.494 -1.639 4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.853 -4.328 5.460 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.121 -3.264 6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.277 -2.099 4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.780 -3.209 6.131 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.660 -1.825 7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.014 -0.758 6.627 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.779 -0.677 6.126 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.683 -0.318 8.896 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.736 0.851 9.700 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.131 0.814 7.149 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.676 1.488 8.718 1.00 0.00 H new ATOM 997 N GLU A 62 1.346 -4.663 3.838 1.00 0.00 N ATOM 998 CA GLU A 62 2.531 -5.546 3.651 1.00 0.00 C ATOM 999 C GLU A 62 3.463 -4.964 2.576 1.00 0.00 C ATOM 1000 O GLU A 62 4.669 -5.039 2.696 1.00 0.00 O ATOM 1001 CB GLU A 62 2.056 -6.952 3.262 1.00 0.00 C ATOM 1002 CG GLU A 62 1.431 -7.629 4.483 1.00 0.00 C ATOM 1003 CD GLU A 62 0.872 -8.998 4.086 1.00 0.00 C ATOM 1004 OE1 GLU A 62 0.848 -9.285 2.901 1.00 0.00 O ATOM 1005 OE2 GLU A 62 0.474 -9.733 4.974 1.00 0.00 O ATOM 0 H GLU A 62 0.469 -5.031 3.470 1.00 0.00 H new ATOM 0 HA GLU A 62 3.093 -5.608 4.583 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.328 -6.892 2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.895 -7.543 2.893 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.178 -7.745 5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.635 -7.005 4.889 1.00 0.00 H new ATOM 1012 N LYS A 63 2.930 -4.381 1.531 1.00 0.00 N ATOM 1013 CA LYS A 63 3.814 -3.803 0.475 1.00 0.00 C ATOM 1014 C LYS A 63 4.595 -2.618 1.047 1.00 0.00 C ATOM 1015 O LYS A 63 5.774 -2.456 0.791 1.00 0.00 O ATOM 1016 CB LYS A 63 2.963 -3.299 -0.692 1.00 0.00 C ATOM 1017 CG LYS A 63 2.328 -4.485 -1.426 1.00 0.00 C ATOM 1018 CD LYS A 63 1.708 -4.025 -2.778 1.00 0.00 C ATOM 1019 CE LYS A 63 2.366 -4.773 -3.942 1.00 0.00 C ATOM 1020 NZ LYS A 63 3.799 -4.379 -4.039 1.00 0.00 N ATOM 0 H LYS A 63 1.929 -4.281 1.365 1.00 0.00 H new ATOM 0 HA LYS A 63 4.502 -4.576 0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.185 -2.630 -0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.580 -2.722 -1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.081 -5.252 -1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.557 -4.936 -0.801 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.634 -4.212 -2.776 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.845 -2.951 -2.903 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.283 -5.849 -3.790 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.850 -4.542 -4.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.166 -4.631 -4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.887 -3.353 -3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.346 -4.878 -3.309 1.00 0.00 H new ATOM 1034 N ILE A 64 3.946 -1.783 1.810 1.00 0.00 N ATOM 1035 CA ILE A 64 4.643 -0.600 2.391 1.00 0.00 C ATOM 1036 C ILE A 64 5.852 -1.065 3.212 1.00 0.00 C ATOM 1037 O ILE A 64 6.962 -0.608 3.016 1.00 0.00 O ATOM 1038 CB ILE A 64 3.644 0.174 3.292 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.763 1.120 2.443 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.392 0.993 4.357 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.615 0.342 1.810 1.00 0.00 C ATOM 0 H ILE A 64 2.960 -1.869 2.057 1.00 0.00 H new ATOM 0 HA ILE A 64 4.997 0.055 1.595 1.00 0.00 H new ATOM 0 HB ILE A 64 3.008 -0.559 3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.368 1.921 3.069 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.365 1.590 1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.672 1.527 4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.983 0.324 4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.052 1.710 3.868 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.002 1.018 1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.017 -0.442 1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.004 -0.107 2.593 1.00 0.00 H new ATOM 1053 N ALA A 65 5.645 -1.955 4.136 1.00 0.00 N ATOM 1054 CA ALA A 65 6.775 -2.434 4.976 1.00 0.00 C ATOM 1055 C ALA A 65 7.850 -3.075 4.096 1.00 0.00 C ATOM 1056 O ALA A 65 9.026 -2.886 4.305 1.00 0.00 O ATOM 1057 CB ALA A 65 6.251 -3.467 5.977 1.00 0.00 C ATOM 0 H ALA A 65 4.739 -2.374 4.348 1.00 0.00 H new ATOM 0 HA ALA A 65 7.212 -1.589 5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.074 -3.823 6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.492 -3.008 6.610 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.813 -4.307 5.438 1.00 0.00 H new ATOM 1063 N GLU A 66 7.460 -3.849 3.126 1.00 0.00 N ATOM 1064 CA GLU A 66 8.470 -4.520 2.255 1.00 0.00 C ATOM 1065 C GLU A 66 9.152 -3.516 1.308 1.00 0.00 C ATOM 1066 O GLU A 66 10.336 -3.617 1.052 1.00 0.00 O ATOM 1067 CB GLU A 66 7.778 -5.620 1.437 1.00 0.00 C ATOM 1068 CG GLU A 66 7.580 -6.875 2.300 1.00 0.00 C ATOM 1069 CD GLU A 66 6.938 -6.495 3.636 1.00 0.00 C ATOM 1070 OE1 GLU A 66 7.618 -5.885 4.444 1.00 0.00 O ATOM 1071 OE2 GLU A 66 5.779 -6.824 3.830 1.00 0.00 O ATOM 0 H GLU A 66 6.487 -4.048 2.896 1.00 0.00 H new ATOM 0 HA GLU A 66 9.241 -4.954 2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.814 -5.263 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.378 -5.863 0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.949 -7.592 1.775 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.539 -7.362 2.474 1.00 0.00 H new ATOM 1078 N LEU A 67 8.434 -2.565 0.770 1.00 0.00 N ATOM 1079 CA LEU A 67 9.091 -1.600 -0.168 1.00 0.00 C ATOM 1080 C LEU A 67 10.091 -0.721 0.595 1.00 0.00 C ATOM 1081 O LEU A 67 11.206 -0.527 0.162 1.00 0.00 O ATOM 1082 CB LEU A 67 8.020 -0.726 -0.858 1.00 0.00 C ATOM 1083 CG LEU A 67 7.476 -1.443 -2.114 1.00 0.00 C ATOM 1084 CD1 LEU A 67 6.117 -0.845 -2.502 1.00 0.00 C ATOM 1085 CD2 LEU A 67 8.451 -1.274 -3.297 1.00 0.00 C ATOM 0 H LEU A 67 7.439 -2.414 0.934 1.00 0.00 H new ATOM 0 HA LEU A 67 9.633 -2.158 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.204 -0.522 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.449 0.236 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 67 7.367 -2.503 -1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.736 -1.353 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.414 -0.975 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.234 0.218 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.052 -1.785 -4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.573 -0.214 -3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.418 -1.703 -3.036 1.00 0.00 H new ATOM 1097 N GLN A 68 9.713 -0.192 1.719 1.00 0.00 N ATOM 1098 CA GLN A 68 10.663 0.664 2.484 1.00 0.00 C ATOM 1099 C GLN A 68 11.726 -0.214 3.162 1.00 0.00 C ATOM 1100 O GLN A 68 12.880 0.147 3.240 1.00 0.00 O ATOM 1101 CB GLN A 68 9.899 1.462 3.545 1.00 0.00 C ATOM 1102 CG GLN A 68 8.911 2.411 2.865 1.00 0.00 C ATOM 1103 CD GLN A 68 8.385 3.420 3.885 1.00 0.00 C ATOM 1104 OE1 GLN A 68 8.648 4.603 3.779 1.00 0.00 O ATOM 1105 NE2 GLN A 68 7.649 3.002 4.877 1.00 0.00 N ATOM 0 H GLN A 68 8.793 -0.312 2.143 1.00 0.00 H new ATOM 0 HA GLN A 68 11.154 1.354 1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.366 0.783 4.211 1.00 0.00 H new ATOM 0 HB3 GLN A 68 10.598 2.029 4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.400 2.932 2.042 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.083 1.845 2.438 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.428 2.010 4.966 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.294 3.667 5.564 1.00 0.00 H new ATOM 1114 N LYS A 69 11.349 -1.361 3.657 1.00 0.00 N ATOM 1115 CA LYS A 69 12.350 -2.240 4.334 1.00 0.00 C ATOM 1116 C LYS A 69 13.281 -2.878 3.294 1.00 0.00 C ATOM 1117 O LYS A 69 14.427 -3.168 3.574 1.00 0.00 O ATOM 1118 CB LYS A 69 11.615 -3.338 5.111 1.00 0.00 C ATOM 1119 CG LYS A 69 12.599 -4.070 6.033 1.00 0.00 C ATOM 1120 CD LYS A 69 11.915 -5.283 6.695 1.00 0.00 C ATOM 1121 CE LYS A 69 11.119 -4.840 7.931 1.00 0.00 C ATOM 1122 NZ LYS A 69 10.187 -5.932 8.336 1.00 0.00 N ATOM 0 H LYS A 69 10.398 -1.728 3.624 1.00 0.00 H new ATOM 0 HA LYS A 69 12.948 -1.641 5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.807 -2.902 5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.159 -4.044 4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.466 -4.401 5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.965 -3.387 6.800 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.250 -5.768 5.981 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.665 -6.020 6.983 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.799 -4.604 8.750 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.559 -3.932 7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.646 -5.634 9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.531 -6.136 7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.733 -6.788 8.563 1.00 0.00 H new ATOM 1136 N ASP A 70 12.797 -3.107 2.102 1.00 0.00 N ATOM 1137 CA ASP A 70 13.654 -3.739 1.051 1.00 0.00 C ATOM 1138 C ASP A 70 14.464 -2.674 0.309 1.00 0.00 C ATOM 1139 O ASP A 70 15.568 -2.920 -0.132 1.00 0.00 O ATOM 1140 CB ASP A 70 12.763 -4.474 0.047 1.00 0.00 C ATOM 1141 CG ASP A 70 13.636 -5.271 -0.925 1.00 0.00 C ATOM 1142 OD1 ASP A 70 14.381 -4.649 -1.665 1.00 0.00 O ATOM 1143 OD2 ASP A 70 13.547 -6.487 -0.913 1.00 0.00 O ATOM 0 H ASP A 70 11.846 -2.885 1.809 1.00 0.00 H new ATOM 0 HA ASP A 70 14.339 -4.438 1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 70 12.081 -5.143 0.572 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.149 -3.759 -0.501 1.00 0.00 H new ATOM 1148 N ILE A 71 13.921 -1.497 0.150 1.00 0.00 N ATOM 1149 CA ILE A 71 14.664 -0.430 -0.585 1.00 0.00 C ATOM 1150 C ILE A 71 15.580 0.336 0.375 1.00 0.00 C ATOM 1151 O ILE A 71 16.752 0.517 0.109 1.00 0.00 O ATOM 1152 CB ILE A 71 13.661 0.529 -1.226 1.00 0.00 C ATOM 1153 CG1 ILE A 71 12.784 -0.250 -2.211 1.00 0.00 C ATOM 1154 CG2 ILE A 71 14.412 1.628 -1.981 1.00 0.00 C ATOM 1155 CD1 ILE A 71 11.608 0.623 -2.650 1.00 0.00 C ATOM 0 H ILE A 71 13.000 -1.228 0.495 1.00 0.00 H new ATOM 0 HA ILE A 71 15.280 -0.887 -1.360 1.00 0.00 H new ATOM 0 HB ILE A 71 13.041 0.980 -0.452 1.00 0.00 H new ATOM 0 HG12 ILE A 71 13.372 -0.550 -3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.417 -1.164 -1.743 1.00 0.00 H new ATOM 0 HG21 ILE A 71 13.695 2.311 -2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 71 15.046 2.179 -1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 71 15.030 1.178 -2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.985 0.068 -3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.015 0.900 -1.778 1.00 0.00 H new ATOM 0 HD13 ILE A 71 11.985 1.524 -3.134 1.00 0.00 H new ATOM 1167 N HIS A 72 15.067 0.786 1.489 1.00 0.00 N ATOM 1168 CA HIS A 72 15.928 1.538 2.456 1.00 0.00 C ATOM 1169 C HIS A 72 16.595 0.549 3.420 1.00 0.00 C ATOM 1170 O HIS A 72 16.352 0.573 4.610 1.00 0.00 O ATOM 1171 CB HIS A 72 15.073 2.522 3.266 1.00 0.00 C ATOM 1172 CG HIS A 72 14.686 3.702 2.416 1.00 0.00 C ATOM 1173 ND1 HIS A 72 14.945 5.006 2.810 1.00 0.00 N ATOM 1174 CD2 HIS A 72 14.042 3.799 1.206 1.00 0.00 C ATOM 1175 CE1 HIS A 72 14.461 5.823 1.858 1.00 0.00 C ATOM 1176 NE2 HIS A 72 13.900 5.138 0.857 1.00 0.00 N ATOM 0 H HIS A 72 14.094 0.668 1.773 1.00 0.00 H new ATOM 0 HA HIS A 72 16.687 2.089 1.900 1.00 0.00 H new ATOM 0 HB2 HIS A 72 14.177 2.020 3.632 1.00 0.00 H new ATOM 0 HB3 HIS A 72 15.628 2.862 4.140 1.00 0.00 H new ATOM 0 HD1 HIS A 72 15.417 5.294 3.667 1.00 0.00 H new ATOM 0 HD2 HIS A 72 13.698 2.963 0.616 1.00 0.00 H new ATOM 0 HE1 HIS A 72 14.519 6.901 1.897 1.00 0.00 H new ATOM 1184 N ASP A 73 17.440 -0.317 2.924 1.00 0.00 N ATOM 1185 CA ASP A 73 18.116 -1.293 3.828 1.00 0.00 C ATOM 1186 C ASP A 73 17.072 -1.968 4.723 1.00 0.00 C ATOM 1187 O ASP A 73 16.631 -3.068 4.457 1.00 0.00 O ATOM 1188 CB ASP A 73 19.137 -0.553 4.700 1.00 0.00 C ATOM 1189 CG ASP A 73 20.388 -0.226 3.880 1.00 0.00 C ATOM 1190 OD1 ASP A 73 20.549 -0.802 2.816 1.00 0.00 O ATOM 1191 OD2 ASP A 73 21.169 0.594 4.334 1.00 0.00 O ATOM 0 H ASP A 73 17.690 -0.390 1.938 1.00 0.00 H new ATOM 0 HA ASP A 73 18.626 -2.050 3.233 1.00 0.00 H new ATOM 0 HB2 ASP A 73 18.697 0.365 5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 73 19.406 -1.167 5.560 1.00 0.00 H new TER 1196 ASP A 73