USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 794 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 NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 110 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 108 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 110 ZNZN :(H bumps) USER MOD Set 1.1: A 82 GLN : amide:sc= 0.0341 K(o=0.94,f=-3.7!) USER MOD Set 1.2: A 84 TYR OH : rot -17:sc= 0.908 USER MOD Set 2.1: A 74 THR OG1 : rot -63:sc= 0.945 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0.815 USER MOD Set 3.1: A 20 ASN : amide:sc= 0.989 K(o=3.3,f=-2.2) USER MOD Set 3.2: A 44 LYS NZ :NH3+ -146:sc= 2.29 (180deg=1.27) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.769 K(o=0.77,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.985 K(o=0.98,f=-1.3) USER MOD Single : A 16 THR OG1 : rot 89:sc= 0.49 USER MOD Single : A 17 CYS SG : rot 61:sc= 0.217 USER MOD Single : A 22 SER OG : rot 13:sc= 0.308 USER MOD Single : A 26 ASN : amide:sc= 2.22 K(o=2.2,f=-7.8!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00593 USER MOD Single : A 34 SER OG : rot -49:sc= 0.0155 USER MOD Single : A 35 LYS NZ :NH3+ -144:sc= 0.113 (180deg=0) USER MOD Single : A 39 MET CE :methyl -145:sc= -0.0263 (180deg=-3.1) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 2.09 K(o=2.1,f=-0.11) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.0815 X(o=0.081,f=-0.12) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot -6:sc= 0.0049 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.114) USER MOD Single : A 86 MET CE :methyl -170:sc= 0 (180deg=-0.22) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0.958 K(o=0.96,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.102 14.932 -8.643 1.00 0.00 N ATOM 2 CA CYS A 2 -0.620 15.414 -9.927 1.00 0.00 C ATOM 3 C CYS A 2 0.802 14.904 -10.266 1.00 0.00 C ATOM 4 O CYS A 2 1.426 15.350 -11.235 1.00 0.00 O ATOM 5 CB CYS A 2 -0.821 16.959 -10.007 1.00 0.00 C ATOM 6 SG CYS A 2 -0.753 17.916 -8.425 1.00 0.00 S ATOM 0 HA CYS A 2 -1.219 14.983 -10.729 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.061 17.362 -10.676 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.788 17.148 -10.472 1.00 0.00 H new ATOM 11 N GLY A 3 1.322 13.967 -9.463 1.00 0.00 N ATOM 12 CA GLY A 3 2.663 13.374 -9.554 1.00 0.00 C ATOM 13 C GLY A 3 3.747 14.336 -9.059 1.00 0.00 C ATOM 14 O GLY A 3 4.693 13.910 -8.401 1.00 0.00 O ATOM 0 H GLY A 3 0.786 13.579 -8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.695 12.457 -8.966 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.868 13.097 -10.588 1.00 0.00 H new ATOM 18 N ASP A 4 3.571 15.643 -9.270 1.00 0.00 N ATOM 19 CA ASP A 4 4.419 16.672 -8.662 1.00 0.00 C ATOM 20 C ASP A 4 4.217 16.688 -7.127 1.00 0.00 C ATOM 21 O ASP A 4 5.082 17.182 -6.399 1.00 0.00 O ATOM 22 CB ASP A 4 4.123 18.041 -9.285 1.00 0.00 C ATOM 23 CG ASP A 4 4.785 18.202 -10.664 1.00 0.00 C ATOM 24 OD1 ASP A 4 6.038 18.264 -10.729 1.00 0.00 O ATOM 25 OD2 ASP A 4 4.067 18.297 -11.688 1.00 0.00 O ATOM 0 H ASP A 4 2.835 16.018 -9.868 1.00 0.00 H new ATOM 0 HA ASP A 4 5.465 16.439 -8.859 1.00 0.00 H new ATOM 0 HB2 ASP A 4 3.045 18.169 -9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.478 18.827 -8.618 1.00 0.00 H new ATOM 30 N CYS A 5 3.107 16.105 -6.639 1.00 0.00 N ATOM 31 CA CYS A 5 2.786 15.926 -5.227 1.00 0.00 C ATOM 32 C CYS A 5 3.818 15.043 -4.481 1.00 0.00 C ATOM 33 O CYS A 5 3.975 15.170 -3.266 1.00 0.00 O ATOM 34 CB CYS A 5 1.405 15.242 -5.070 1.00 0.00 C ATOM 35 SG CYS A 5 -0.026 16.160 -5.729 1.00 0.00 S ATOM 0 H CYS A 5 2.382 15.732 -7.252 1.00 0.00 H new ATOM 0 HA CYS A 5 2.792 16.926 -4.794 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.446 14.271 -5.563 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.234 15.055 -4.010 1.00 0.00 H new ATOM 40 N VAL A 6 4.496 14.123 -5.184 1.00 0.00 N ATOM 41 CA VAL A 6 5.425 13.136 -4.600 1.00 0.00 C ATOM 42 C VAL A 6 6.886 13.423 -4.996 1.00 0.00 C ATOM 43 O VAL A 6 7.179 13.764 -6.144 1.00 0.00 O ATOM 44 CB VAL A 6 5.005 11.689 -4.961 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.545 11.407 -4.574 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.149 11.282 -6.432 1.00 0.00 C ATOM 0 H VAL A 6 4.414 14.040 -6.197 1.00 0.00 H new ATOM 0 HA VAL A 6 5.367 13.233 -3.516 1.00 0.00 H new ATOM 0 HB VAL A 6 5.717 11.099 -4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.289 10.382 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.421 11.542 -3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.888 12.097 -5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.824 10.249 -6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.533 11.934 -7.052 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.192 11.373 -6.734 1.00 0.00 H new ATOM 56 N GLU A 7 7.831 13.282 -4.060 1.00 0.00 N ATOM 57 CA GLU A 7 9.274 13.471 -4.296 1.00 0.00 C ATOM 58 C GLU A 7 9.822 12.414 -5.279 1.00 0.00 C ATOM 59 O GLU A 7 10.634 12.737 -6.152 1.00 0.00 O ATOM 60 CB GLU A 7 10.027 13.479 -2.949 1.00 0.00 C ATOM 61 CG GLU A 7 11.550 13.516 -3.088 1.00 0.00 C ATOM 62 CD GLU A 7 12.238 13.806 -1.739 1.00 0.00 C ATOM 63 OE1 GLU A 7 12.412 14.999 -1.385 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.640 12.846 -1.038 1.00 0.00 O ATOM 0 H GLU A 7 7.614 13.028 -3.096 1.00 0.00 H new ATOM 0 HA GLU A 7 9.437 14.439 -4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.704 14.344 -2.369 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.746 12.592 -2.382 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.903 12.562 -3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.831 14.281 -3.812 1.00 0.00 H new ATOM 71 N LYS A 8 9.333 11.170 -5.176 1.00 0.00 N ATOM 72 CA LYS A 8 9.633 10.036 -6.060 1.00 0.00 C ATOM 73 C LYS A 8 8.342 9.276 -6.367 1.00 0.00 C ATOM 74 O LYS A 8 7.485 9.126 -5.497 1.00 0.00 O ATOM 75 CB LYS A 8 10.644 9.086 -5.393 1.00 0.00 C ATOM 76 CG LYS A 8 12.051 9.692 -5.272 1.00 0.00 C ATOM 77 CD LYS A 8 13.033 8.685 -4.653 1.00 0.00 C ATOM 78 CE LYS A 8 14.424 9.291 -4.412 1.00 0.00 C ATOM 79 NZ LYS A 8 15.145 9.593 -5.678 1.00 0.00 N ATOM 0 H LYS A 8 8.682 10.915 -4.433 1.00 0.00 H new ATOM 0 HA LYS A 8 10.067 10.415 -6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.283 8.820 -4.400 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.701 8.163 -5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.407 9.994 -6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.012 10.592 -4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.629 8.323 -3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.126 7.821 -5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.321 10.207 -3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.019 8.599 -3.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.077 9.999 -5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.269 8.717 -6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.593 10.274 -6.238 1.00 0.00 H new ATOM 93 N GLU A 9 8.219 8.768 -7.590 1.00 0.00 N ATOM 94 CA GLU A 9 7.090 7.933 -8.022 1.00 0.00 C ATOM 95 C GLU A 9 7.320 6.486 -7.559 1.00 0.00 C ATOM 96 O GLU A 9 8.356 5.897 -7.881 1.00 0.00 O ATOM 97 CB GLU A 9 6.977 7.965 -9.560 1.00 0.00 C ATOM 98 CG GLU A 9 6.289 9.226 -10.094 1.00 0.00 C ATOM 99 CD GLU A 9 6.868 9.644 -11.460 1.00 0.00 C ATOM 100 OE1 GLU A 9 6.360 9.180 -12.510 1.00 0.00 O ATOM 101 OE2 GLU A 9 7.840 10.438 -11.495 1.00 0.00 O ATOM 0 H GLU A 9 8.909 8.924 -8.324 1.00 0.00 H new ATOM 0 HA GLU A 9 6.169 8.317 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.975 7.894 -9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.422 7.088 -9.894 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.218 9.046 -10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.412 10.040 -9.380 1.00 0.00 H new ATOM 108 N TYR A 10 6.365 5.909 -6.819 1.00 0.00 N ATOM 109 CA TYR A 10 6.424 4.534 -6.287 1.00 0.00 C ATOM 110 C TYR A 10 7.782 4.192 -5.631 1.00 0.00 C ATOM 111 O TYR A 10 8.475 3.266 -6.067 1.00 0.00 O ATOM 112 CB TYR A 10 5.997 3.506 -7.354 1.00 0.00 C ATOM 113 CG TYR A 10 4.633 3.722 -7.994 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.443 4.760 -8.930 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.551 2.880 -7.658 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.179 4.985 -9.496 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.276 3.115 -8.213 1.00 0.00 C ATOM 118 CZ TYR A 10 2.087 4.167 -9.137 1.00 0.00 C ATOM 119 OH TYR A 10 0.859 4.401 -9.678 1.00 0.00 O ATOM 0 H TYR A 10 5.505 6.395 -6.565 1.00 0.00 H new ATOM 0 HA TYR A 10 5.699 4.477 -5.475 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.748 3.501 -8.144 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.008 2.516 -6.898 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.276 5.386 -9.213 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.700 2.056 -6.976 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.042 5.786 -10.208 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.442 2.489 -7.931 1.00 0.00 H new ATOM 0 HH TYR A 10 0.217 3.748 -9.328 1.00 0.00 H new ATOM 129 N PRO A 11 8.187 4.934 -4.581 1.00 0.00 N ATOM 130 CA PRO A 11 9.460 4.717 -3.890 1.00 0.00 C ATOM 131 C PRO A 11 9.516 3.335 -3.229 1.00 0.00 C ATOM 132 O PRO A 11 8.508 2.853 -2.719 1.00 0.00 O ATOM 133 CB PRO A 11 9.523 5.832 -2.840 1.00 0.00 C ATOM 134 CG PRO A 11 8.061 6.143 -2.551 1.00 0.00 C ATOM 135 CD PRO A 11 7.447 6.017 -3.940 1.00 0.00 C ATOM 0 HA PRO A 11 10.305 4.745 -4.578 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.048 5.506 -1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.051 6.708 -3.218 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.623 5.439 -1.843 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.928 7.140 -2.132 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.383 5.788 -3.882 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.543 6.947 -4.500 1.00 0.00 H new ATOM 143 N ASN A 12 10.679 2.684 -3.180 1.00 0.00 N ATOM 144 CA ASN A 12 10.790 1.407 -2.473 1.00 0.00 C ATOM 145 C ASN A 12 10.866 1.661 -0.957 1.00 0.00 C ATOM 146 O ASN A 12 11.457 2.652 -0.515 1.00 0.00 O ATOM 147 CB ASN A 12 12.000 0.618 -2.998 1.00 0.00 C ATOM 148 CG ASN A 12 11.901 0.268 -4.477 1.00 0.00 C ATOM 149 OD1 ASN A 12 12.772 0.595 -5.271 1.00 0.00 O ATOM 150 ND2 ASN A 12 10.847 -0.391 -4.906 1.00 0.00 N ATOM 0 H ASN A 12 11.543 3.012 -3.613 1.00 0.00 H new ATOM 0 HA ASN A 12 9.906 0.798 -2.660 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.905 1.202 -2.831 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.103 -0.301 -2.421 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.760 -0.626 -5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.116 -0.667 -4.250 1.00 0.00 H new ATOM 157 N ARG A 13 10.255 0.780 -0.150 1.00 0.00 N ATOM 158 CA ARG A 13 10.156 0.929 1.320 1.00 0.00 C ATOM 159 C ARG A 13 10.820 -0.194 2.119 1.00 0.00 C ATOM 160 O ARG A 13 10.357 -0.554 3.202 1.00 0.00 O ATOM 161 CB ARG A 13 8.684 1.138 1.728 1.00 0.00 C ATOM 162 CG ARG A 13 7.933 2.289 1.044 1.00 0.00 C ATOM 163 CD ARG A 13 8.636 3.657 1.039 1.00 0.00 C ATOM 164 NE ARG A 13 9.141 4.049 2.372 1.00 0.00 N ATOM 165 CZ ARG A 13 10.381 4.363 2.708 1.00 0.00 C ATOM 166 NH1 ARG A 13 11.382 4.307 1.873 1.00 0.00 N ATOM 167 NH2 ARG A 13 10.647 4.738 3.925 1.00 0.00 N ATOM 0 H ARG A 13 9.809 -0.068 -0.499 1.00 0.00 H new ATOM 0 HA ARG A 13 10.732 1.817 1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.142 0.213 1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.650 1.303 2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.736 2.002 0.011 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.966 2.404 1.533 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.467 3.630 0.335 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.940 4.416 0.682 1.00 0.00 H new ATOM 0 HE ARG A 13 8.451 4.081 3.122 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.227 4.010 0.910 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.320 4.560 2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.900 4.789 4.618 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.603 4.981 4.187 1.00 0.00 H new ATOM 181 N GLY A 14 11.885 -0.779 1.573 1.00 0.00 N ATOM 182 CA GLY A 14 12.628 -1.875 2.217 1.00 0.00 C ATOM 183 C GLY A 14 11.741 -3.076 2.572 1.00 0.00 C ATOM 184 O GLY A 14 11.921 -3.691 3.625 1.00 0.00 O ATOM 0 H GLY A 14 12.264 -0.508 0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.427 -2.204 1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.103 -1.501 3.124 1.00 0.00 H new ATOM 188 N ASN A 15 10.770 -3.363 1.694 1.00 0.00 N ATOM 189 CA ASN A 15 9.770 -4.441 1.743 1.00 0.00 C ATOM 190 C ASN A 15 8.506 -4.118 2.589 1.00 0.00 C ATOM 191 O ASN A 15 7.663 -4.994 2.784 1.00 0.00 O ATOM 192 CB ASN A 15 10.398 -5.803 2.129 1.00 0.00 C ATOM 193 CG ASN A 15 11.593 -6.293 1.320 1.00 0.00 C ATOM 194 OD1 ASN A 15 12.217 -5.598 0.527 1.00 0.00 O ATOM 195 ND2 ASN A 15 11.952 -7.543 1.504 1.00 0.00 N ATOM 0 H ASN A 15 10.653 -2.795 0.855 1.00 0.00 H new ATOM 0 HA ASN A 15 9.403 -4.523 0.720 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.702 -5.746 3.174 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.617 -6.561 2.065 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.744 -7.927 0.989 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.439 -8.129 2.162 1.00 0.00 H new ATOM 202 N THR A 16 8.330 -2.885 3.089 1.00 0.00 N ATOM 203 CA THR A 16 7.160 -2.492 3.908 1.00 0.00 C ATOM 204 C THR A 16 5.878 -2.422 3.066 1.00 0.00 C ATOM 205 O THR A 16 5.806 -1.600 2.155 1.00 0.00 O ATOM 206 CB THR A 16 7.422 -1.123 4.569 1.00 0.00 C ATOM 207 OG1 THR A 16 8.552 -1.195 5.413 1.00 0.00 O ATOM 208 CG2 THR A 16 6.262 -0.613 5.421 1.00 0.00 C ATOM 0 H THR A 16 8.995 -2.126 2.939 1.00 0.00 H new ATOM 0 HA THR A 16 7.018 -3.253 4.675 1.00 0.00 H new ATOM 0 HB THR A 16 7.570 -0.433 3.739 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.360 -0.994 4.896 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.524 0.354 5.851 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.374 -0.505 4.799 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.059 -1.323 6.222 1.00 0.00 H new ATOM 216 N CYS A 17 4.859 -3.247 3.359 1.00 0.00 N ATOM 217 CA CYS A 17 3.586 -3.291 2.631 1.00 0.00 C ATOM 218 C CYS A 17 2.412 -3.001 3.588 1.00 0.00 C ATOM 219 O CYS A 17 2.101 -3.820 4.456 1.00 0.00 O ATOM 220 CB CYS A 17 3.441 -4.668 1.964 1.00 0.00 C ATOM 221 SG CYS A 17 4.825 -5.020 0.840 1.00 0.00 S ATOM 0 H CYS A 17 4.902 -3.917 4.127 1.00 0.00 H new ATOM 0 HA CYS A 17 3.572 -2.523 1.858 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.390 -5.440 2.731 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.503 -4.707 1.410 1.00 0.00 H new ATOM 0 HG CYS A 17 5.939 -5.024 1.511 1.00 0.00 H new ATOM 227 N LEU A 18 1.785 -1.828 3.442 1.00 0.00 N ATOM 228 CA LEU A 18 0.701 -1.307 4.294 1.00 0.00 C ATOM 229 C LEU A 18 -0.614 -1.083 3.540 1.00 0.00 C ATOM 230 O LEU A 18 -0.643 -0.652 2.387 1.00 0.00 O ATOM 231 CB LEU A 18 1.168 0.015 4.946 1.00 0.00 C ATOM 232 CG LEU A 18 1.877 -0.098 6.310 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.938 -1.190 6.379 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.532 1.241 6.655 1.00 0.00 C ATOM 0 H LEU A 18 2.029 -1.182 2.691 1.00 0.00 H new ATOM 0 HA LEU A 18 0.492 -2.063 5.051 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.843 0.517 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.298 0.660 5.067 1.00 0.00 H new ATOM 0 HG LEU A 18 1.102 -0.369 7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.386 -1.200 7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.478 -2.158 6.179 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.710 -0.995 5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.034 1.163 7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.261 1.498 5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.768 2.017 6.705 1.00 0.00 H new ATOM 246 N GLU A 19 -1.712 -1.331 4.254 1.00 0.00 N ATOM 247 CA GLU A 19 -3.093 -1.126 3.814 1.00 0.00 C ATOM 248 C GLU A 19 -3.661 0.239 4.233 1.00 0.00 C ATOM 249 O GLU A 19 -4.768 0.573 3.816 1.00 0.00 O ATOM 250 CB GLU A 19 -4.013 -2.234 4.368 1.00 0.00 C ATOM 251 CG GLU A 19 -4.232 -2.270 5.890 1.00 0.00 C ATOM 252 CD GLU A 19 -3.038 -2.848 6.676 1.00 0.00 C ATOM 253 OE1 GLU A 19 -2.056 -2.107 6.919 1.00 0.00 O ATOM 254 OE2 GLU A 19 -3.087 -4.037 7.075 1.00 0.00 O ATOM 0 H GLU A 19 -1.660 -1.699 5.204 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.067 -1.161 2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.987 -2.135 3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.604 -3.197 4.063 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.432 -1.258 6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.120 -2.865 6.106 1.00 0.00 H new ATOM 261 N ASN A 20 -2.956 1.023 5.059 1.00 0.00 N ATOM 262 CA ASN A 20 -3.437 2.322 5.564 1.00 0.00 C ATOM 263 C ASN A 20 -2.330 3.379 5.742 1.00 0.00 C ATOM 264 O ASN A 20 -1.158 3.051 5.948 1.00 0.00 O ATOM 265 CB ASN A 20 -4.165 2.095 6.910 1.00 0.00 C ATOM 266 CG ASN A 20 -5.643 1.783 6.754 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.382 2.498 6.091 1.00 0.00 O ATOM 268 ND2 ASN A 20 -6.135 0.730 7.364 1.00 0.00 N ATOM 0 H ASN A 20 -2.028 0.774 5.400 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.112 2.724 4.808 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.683 1.274 7.441 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.053 2.985 7.529 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.128 0.512 7.284 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.524 0.130 7.918 1.00 0.00 H new ATOM 275 N GLY A 21 -2.738 4.656 5.711 1.00 0.00 N ATOM 276 CA GLY A 21 -1.892 5.840 5.920 1.00 0.00 C ATOM 277 C GLY A 21 -1.672 6.705 4.670 1.00 0.00 C ATOM 278 O GLY A 21 -2.350 6.543 3.656 1.00 0.00 O ATOM 0 H GLY A 21 -3.711 4.903 5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.342 6.458 6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.922 5.514 6.294 1.00 0.00 H new ATOM 282 N SER A 22 -0.719 7.636 4.772 1.00 0.00 N ATOM 283 CA SER A 22 -0.262 8.560 3.717 1.00 0.00 C ATOM 284 C SER A 22 1.201 8.920 4.000 1.00 0.00 C ATOM 285 O SER A 22 1.513 9.429 5.079 1.00 0.00 O ATOM 286 CB SER A 22 -1.093 9.850 3.688 1.00 0.00 C ATOM 287 OG SER A 22 -2.399 9.610 3.183 1.00 0.00 O ATOM 0 H SER A 22 -0.211 7.777 5.645 1.00 0.00 H new ATOM 0 HA SER A 22 -0.375 8.068 2.751 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.160 10.265 4.694 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.592 10.594 3.069 1.00 0.00 H new ATOM 0 HG SER A 22 -2.565 8.645 3.150 1.00 0.00 H new ATOM 293 N PHE A 23 2.119 8.606 3.083 1.00 0.00 N ATOM 294 CA PHE A 23 3.566 8.776 3.276 1.00 0.00 C ATOM 295 C PHE A 23 4.089 10.222 3.199 1.00 0.00 C ATOM 296 O PHE A 23 4.674 10.657 2.205 1.00 0.00 O ATOM 297 CB PHE A 23 4.307 7.815 2.343 1.00 0.00 C ATOM 298 CG PHE A 23 5.796 7.630 2.591 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.348 7.718 3.887 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.639 7.325 1.506 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.728 7.539 4.080 1.00 0.00 C ATOM 302 CE2 PHE A 23 8.024 7.174 1.696 1.00 0.00 C ATOM 303 CZ PHE A 23 8.574 7.318 2.982 1.00 0.00 C ATOM 0 H PHE A 23 1.877 8.220 2.170 1.00 0.00 H new ATOM 0 HA PHE A 23 3.777 8.519 4.314 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.827 6.838 2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.174 8.165 1.319 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.708 7.923 4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.218 7.206 0.518 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.140 7.572 5.078 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.664 6.948 0.856 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.643 7.259 3.124 1.00 0.00 H new ATOM 313 N LEU A 24 3.878 10.984 4.272 1.00 0.00 N ATOM 314 CA LEU A 24 4.250 12.397 4.394 1.00 0.00 C ATOM 315 C LEU A 24 5.714 12.738 4.044 1.00 0.00 C ATOM 316 O LEU A 24 5.990 13.838 3.564 1.00 0.00 O ATOM 317 CB LEU A 24 3.900 12.913 5.802 1.00 0.00 C ATOM 318 CG LEU A 24 2.448 12.687 6.276 1.00 0.00 C ATOM 319 CD1 LEU A 24 2.218 13.429 7.594 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.397 13.158 5.271 1.00 0.00 C ATOM 0 H LEU A 24 3.427 10.623 5.112 1.00 0.00 H new ATOM 0 HA LEU A 24 3.662 12.910 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.571 12.436 6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.107 13.983 5.835 1.00 0.00 H new ATOM 0 HG LEU A 24 2.331 11.610 6.394 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.193 13.269 7.928 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.908 13.052 8.349 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.389 14.495 7.446 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.401 12.968 5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.518 14.226 5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.521 12.616 4.333 1.00 0.00 H new ATOM 332 N LEU A 25 6.651 11.803 4.246 1.00 0.00 N ATOM 333 CA LEU A 25 8.072 11.978 3.900 1.00 0.00 C ATOM 334 C LEU A 25 8.331 11.987 2.379 1.00 0.00 C ATOM 335 O LEU A 25 9.351 12.527 1.947 1.00 0.00 O ATOM 336 CB LEU A 25 8.923 10.901 4.597 1.00 0.00 C ATOM 337 CG LEU A 25 8.943 10.967 6.139 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.882 9.894 6.691 1.00 0.00 C ATOM 339 CD2 LEU A 25 9.419 12.320 6.677 1.00 0.00 C ATOM 0 H LEU A 25 6.444 10.893 4.658 1.00 0.00 H new ATOM 0 HA LEU A 25 8.368 12.963 4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.554 9.920 4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.948 10.981 4.234 1.00 0.00 H new ATOM 0 HG LEU A 25 7.914 10.810 6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.893 9.945 7.780 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.534 8.910 6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.890 10.061 6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.410 12.302 7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.432 12.515 6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.754 13.107 6.322 1.00 0.00 H new ATOM 351 N ASN A 26 7.409 11.459 1.562 1.00 0.00 N ATOM 352 CA ASN A 26 7.482 11.504 0.096 1.00 0.00 C ATOM 353 C ASN A 26 6.548 12.595 -0.438 1.00 0.00 C ATOM 354 O ASN A 26 6.874 13.248 -1.426 1.00 0.00 O ATOM 355 CB ASN A 26 7.120 10.129 -0.485 1.00 0.00 C ATOM 356 CG ASN A 26 7.351 10.046 -1.991 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.230 10.674 -2.552 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.597 9.264 -2.716 1.00 0.00 N ATOM 0 H ASN A 26 6.577 10.980 1.908 1.00 0.00 H new ATOM 0 HA ASN A 26 8.499 11.747 -0.212 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.713 9.362 0.012 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.074 9.912 -0.270 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.754 9.193 -3.721 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.851 8.724 -2.277 1.00 0.00 H new ATOM 365 N PHE A 27 5.406 12.830 0.216 1.00 0.00 N ATOM 366 CA PHE A 27 4.493 13.913 -0.161 1.00 0.00 C ATOM 367 C PHE A 27 5.162 15.273 0.078 1.00 0.00 C ATOM 368 O PHE A 27 5.340 15.701 1.221 1.00 0.00 O ATOM 369 CB PHE A 27 3.171 13.830 0.609 1.00 0.00 C ATOM 370 CG PHE A 27 2.136 14.886 0.224 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.680 15.001 -1.106 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.597 15.734 1.210 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.666 15.923 -1.445 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.584 16.651 0.874 1.00 0.00 C ATOM 375 CZ PHE A 27 0.107 16.733 -0.445 1.00 0.00 C ATOM 0 H PHE A 27 5.091 12.280 1.015 1.00 0.00 H new ATOM 0 HA PHE A 27 4.266 13.805 -1.222 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.737 12.842 0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.382 13.920 1.675 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.112 14.376 -1.874 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.961 15.681 2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.323 16.004 -2.466 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.170 17.296 1.635 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.690 17.420 -0.689 1.00 0.00 H new ATOM 385 N THR A 28 5.510 15.976 -0.995 1.00 0.00 N ATOM 386 CA THR A 28 6.140 17.315 -0.943 1.00 0.00 C ATOM 387 C THR A 28 5.103 18.444 -0.958 1.00 0.00 C ATOM 388 O THR A 28 5.453 19.622 -1.067 1.00 0.00 O ATOM 389 CB THR A 28 7.161 17.494 -2.083 1.00 0.00 C ATOM 390 OG1 THR A 28 6.682 17.017 -3.324 1.00 0.00 O ATOM 391 CG2 THR A 28 8.432 16.711 -1.761 1.00 0.00 C ATOM 0 H THR A 28 5.365 15.637 -1.946 1.00 0.00 H new ATOM 0 HA THR A 28 6.672 17.378 0.007 1.00 0.00 H new ATOM 0 HB THR A 28 7.349 18.565 -2.163 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.365 17.155 -4.013 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.153 16.839 -2.569 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.861 17.081 -0.830 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.191 15.653 -1.654 1.00 0.00 H new ATOM 399 N GLY A 29 3.822 18.084 -0.862 1.00 0.00 N ATOM 400 CA GLY A 29 2.682 18.983 -0.958 1.00 0.00 C ATOM 401 C GLY A 29 2.185 19.030 -2.408 1.00 0.00 C ATOM 402 O GLY A 29 2.971 18.827 -3.340 1.00 0.00 O ATOM 0 H GLY A 29 3.544 17.115 -0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.882 18.644 -0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.965 19.982 -0.627 1.00 0.00 H new ATOM 406 N CYS A 30 0.890 19.289 -2.578 1.00 0.00 N ATOM 407 CA CYS A 30 0.190 19.330 -3.854 1.00 0.00 C ATOM 408 C CYS A 30 0.823 20.266 -4.890 1.00 0.00 C ATOM 409 O CYS A 30 1.679 21.110 -4.594 1.00 0.00 O ATOM 410 CB CYS A 30 -1.282 19.716 -3.588 1.00 0.00 C ATOM 411 SG CYS A 30 -2.411 19.247 -4.961 1.00 0.00 S ATOM 0 H CYS A 30 0.273 19.485 -1.790 1.00 0.00 H new ATOM 0 HA CYS A 30 0.261 18.337 -4.299 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.617 19.234 -2.669 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.345 20.792 -3.425 1.00 0.00 H new ATOM 416 N ALA A 31 0.319 20.163 -6.108 1.00 0.00 N ATOM 417 CA ALA A 31 0.634 21.067 -7.204 1.00 0.00 C ATOM 418 C ALA A 31 -0.631 21.641 -7.872 1.00 0.00 C ATOM 419 O ALA A 31 -0.516 22.636 -8.600 1.00 0.00 O ATOM 420 CB ALA A 31 1.617 20.439 -8.193 1.00 0.00 C ATOM 0 H ALA A 31 -0.339 19.429 -6.370 1.00 0.00 H new ATOM 0 HA ALA A 31 1.149 21.928 -6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.826 21.146 -8.996 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.544 20.191 -7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.182 19.532 -8.612 1.00 0.00 H new ATOM 426 N VAL A 32 -1.833 21.117 -7.585 1.00 0.00 N ATOM 427 CA VAL A 32 -3.088 21.725 -8.047 1.00 0.00 C ATOM 428 C VAL A 32 -3.361 22.997 -7.227 1.00 0.00 C ATOM 429 O VAL A 32 -3.852 23.986 -7.784 1.00 0.00 O ATOM 430 CB VAL A 32 -4.287 20.739 -7.983 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.670 21.399 -8.125 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.222 19.706 -9.117 1.00 0.00 C ATOM 0 H VAL A 32 -1.961 20.269 -7.032 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.976 21.987 -9.099 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.191 20.295 -6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.445 20.635 -8.068 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.813 22.121 -7.321 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.733 21.909 -9.086 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.075 19.031 -9.044 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.247 20.219 -10.078 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.298 19.133 -9.035 1.00 0.00 H new ATOM 442 N CYS A 33 -3.009 22.996 -5.935 1.00 0.00 N ATOM 443 CA CYS A 33 -3.201 24.099 -4.988 1.00 0.00 C ATOM 444 C CYS A 33 -1.967 24.491 -4.135 1.00 0.00 C ATOM 445 O CYS A 33 -1.942 25.598 -3.582 1.00 0.00 O ATOM 446 CB CYS A 33 -4.350 23.712 -4.056 1.00 0.00 C ATOM 447 SG CYS A 33 -3.851 22.313 -2.996 1.00 0.00 S ATOM 0 H CYS A 33 -2.562 22.188 -5.502 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.407 24.983 -5.592 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.631 24.565 -3.438 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.228 23.440 -4.642 1.00 0.00 H new ATOM 452 N SER A 34 -0.950 23.623 -4.038 1.00 0.00 N ATOM 453 CA SER A 34 0.309 23.821 -3.284 1.00 0.00 C ATOM 454 C SER A 34 0.243 23.546 -1.757 1.00 0.00 C ATOM 455 O SER A 34 1.148 23.953 -1.018 1.00 0.00 O ATOM 456 CB SER A 34 0.948 25.186 -3.619 1.00 0.00 C ATOM 457 OG SER A 34 2.364 25.148 -3.506 1.00 0.00 O ATOM 0 H SER A 34 -0.979 22.716 -4.505 1.00 0.00 H new ATOM 0 HA SER A 34 0.970 23.030 -3.639 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.672 25.478 -4.632 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.550 25.948 -2.949 1.00 0.00 H new ATOM 0 HG SER A 34 2.613 24.745 -2.648 1.00 0.00 H new ATOM 463 N LYS A 35 -0.787 22.857 -1.233 1.00 0.00 N ATOM 464 CA LYS A 35 -0.906 22.531 0.213 1.00 0.00 C ATOM 465 C LYS A 35 -0.100 21.288 0.617 1.00 0.00 C ATOM 466 O LYS A 35 0.006 20.337 -0.152 1.00 0.00 O ATOM 467 CB LYS A 35 -2.385 22.309 0.572 1.00 0.00 C ATOM 468 CG LYS A 35 -3.148 23.636 0.726 1.00 0.00 C ATOM 469 CD LYS A 35 -3.648 23.825 2.160 1.00 0.00 C ATOM 470 CE LYS A 35 -4.265 25.219 2.324 1.00 0.00 C ATOM 471 NZ LYS A 35 -4.681 25.475 3.727 1.00 0.00 N ATOM 0 H LYS A 35 -1.564 22.507 -1.794 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.495 23.378 0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.859 21.706 -0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.451 21.743 1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.497 24.466 0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.993 23.654 0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.388 23.061 2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.822 23.700 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.543 25.975 2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.128 25.314 1.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.555 26.039 3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.851 24.569 4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.929 25.996 4.222 1.00 0.00 H new ATOM 485 N ARG A 36 0.410 21.251 1.857 1.00 0.00 N ATOM 486 CA ARG A 36 1.135 20.106 2.461 1.00 0.00 C ATOM 487 C ARG A 36 0.441 19.668 3.762 1.00 0.00 C ATOM 488 O ARG A 36 -0.352 20.431 4.306 1.00 0.00 O ATOM 489 CB ARG A 36 2.625 20.434 2.632 1.00 0.00 C ATOM 490 CG ARG A 36 3.440 19.153 2.884 1.00 0.00 C ATOM 491 CD ARG A 36 4.921 19.353 2.593 1.00 0.00 C ATOM 492 NE ARG A 36 5.644 18.070 2.718 1.00 0.00 N ATOM 493 CZ ARG A 36 6.761 17.805 3.367 1.00 0.00 C ATOM 494 NH1 ARG A 36 7.460 18.726 3.969 1.00 0.00 N ATOM 495 NH2 ARG A 36 7.193 16.580 3.418 1.00 0.00 N ATOM 0 H ARG A 36 0.330 22.042 2.496 1.00 0.00 H new ATOM 0 HA ARG A 36 1.097 19.249 1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.996 20.937 1.739 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.757 21.124 3.465 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.313 18.841 3.921 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.053 18.348 2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.050 19.755 1.588 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.340 20.084 3.285 1.00 0.00 H new ATOM 0 HE ARG A 36 5.219 17.279 2.234 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.148 19.697 3.950 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.319 18.476 4.459 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.669 15.835 2.959 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.056 16.364 3.917 1.00 0.00 H new ATOM 509 N ASP A 37 0.700 18.441 4.236 1.00 0.00 N ATOM 510 CA ASP A 37 0.069 17.804 5.417 1.00 0.00 C ATOM 511 C ASP A 37 -1.478 17.814 5.414 1.00 0.00 C ATOM 512 O ASP A 37 -2.153 17.766 6.445 1.00 0.00 O ATOM 513 CB ASP A 37 0.714 18.263 6.732 1.00 0.00 C ATOM 514 CG ASP A 37 0.529 19.744 7.121 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.487 20.092 7.771 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.458 20.550 6.869 1.00 0.00 O ATOM 0 H ASP A 37 1.386 17.831 3.791 1.00 0.00 H new ATOM 0 HA ASP A 37 0.292 16.740 5.333 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.314 17.648 7.538 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.783 18.058 6.675 1.00 0.00 H new ATOM 521 N PHE A 38 -2.024 17.857 4.202 1.00 0.00 N ATOM 522 CA PHE A 38 -3.436 17.924 3.834 1.00 0.00 C ATOM 523 C PHE A 38 -3.835 16.750 2.937 1.00 0.00 C ATOM 524 O PHE A 38 -3.626 16.776 1.724 1.00 0.00 O ATOM 525 CB PHE A 38 -3.740 19.275 3.159 1.00 0.00 C ATOM 526 CG PHE A 38 -4.169 20.397 4.091 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.416 20.764 5.223 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.375 21.071 3.823 1.00 0.00 C ATOM 529 CE1 PHE A 38 -3.850 21.814 6.052 1.00 0.00 C ATOM 530 CE2 PHE A 38 -5.807 22.127 4.643 1.00 0.00 C ATOM 531 CZ PHE A 38 -5.044 22.499 5.763 1.00 0.00 C ATOM 0 H PHE A 38 -1.431 17.845 3.372 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.034 17.849 4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.851 19.598 2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.526 19.122 2.419 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.502 20.237 5.455 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.976 20.773 2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.264 22.096 6.914 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.723 22.651 4.413 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.373 23.307 6.399 1.00 0.00 H new ATOM 541 N MET A 39 -4.450 15.728 3.534 1.00 0.00 N ATOM 542 CA MET A 39 -4.953 14.554 2.803 1.00 0.00 C ATOM 543 C MET A 39 -6.022 13.731 3.539 1.00 0.00 C ATOM 544 O MET A 39 -6.038 13.630 4.767 1.00 0.00 O ATOM 545 CB MET A 39 -3.821 13.621 2.329 1.00 0.00 C ATOM 546 CG MET A 39 -2.731 13.343 3.376 1.00 0.00 C ATOM 547 SD MET A 39 -1.093 14.028 3.005 1.00 0.00 S ATOM 548 CE MET A 39 -0.706 13.125 1.477 1.00 0.00 C ATOM 0 H MET A 39 -4.616 15.687 4.540 1.00 0.00 H new ATOM 0 HA MET A 39 -5.446 14.998 1.938 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.258 12.672 2.020 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.354 14.059 1.447 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.063 13.742 4.334 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.635 12.264 3.496 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.363 12.913 1.440 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.262 12.188 1.457 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.986 13.731 0.615 1.00 0.00 H new ATOM 558 N LEU A 40 -6.883 13.121 2.723 1.00 0.00 N ATOM 559 CA LEU A 40 -8.021 12.239 3.002 1.00 0.00 C ATOM 560 C LEU A 40 -7.888 10.942 2.177 1.00 0.00 C ATOM 561 O LEU A 40 -7.108 10.876 1.224 1.00 0.00 O ATOM 562 CB LEU A 40 -9.321 12.983 2.598 1.00 0.00 C ATOM 563 CG LEU A 40 -10.041 13.852 3.648 1.00 0.00 C ATOM 564 CD1 LEU A 40 -11.069 13.023 4.422 1.00 0.00 C ATOM 565 CD2 LEU A 40 -9.139 14.501 4.682 1.00 0.00 C ATOM 0 H LEU A 40 -6.786 13.251 1.716 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.047 11.981 4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.084 13.623 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.032 12.236 2.246 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.497 14.645 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.566 13.655 5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.809 12.622 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.565 12.201 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.742 15.090 5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.604 13.728 5.235 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.422 15.152 4.182 1.00 0.00 H new ATOM 577 N ILE A 41 -8.696 9.931 2.509 1.00 0.00 N ATOM 578 CA ILE A 41 -8.798 8.638 1.818 1.00 0.00 C ATOM 579 C ILE A 41 -10.280 8.412 1.502 1.00 0.00 C ATOM 580 O ILE A 41 -11.142 8.606 2.364 1.00 0.00 O ATOM 581 CB ILE A 41 -8.216 7.501 2.699 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.676 7.635 2.797 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.618 6.100 2.178 1.00 0.00 C ATOM 584 CD1 ILE A 41 -6.023 6.739 3.861 1.00 0.00 C ATOM 0 H ILE A 41 -9.329 9.993 3.306 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.218 8.638 0.895 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.642 7.603 3.697 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.241 7.399 1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.428 8.674 3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.189 5.334 2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.704 6.009 2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.244 5.968 1.163 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.945 6.899 3.859 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.425 6.988 4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.235 5.694 3.637 1.00 0.00 H new ATOM 596 N THR A 42 -10.582 7.993 0.273 1.00 0.00 N ATOM 597 CA THR A 42 -11.955 7.701 -0.179 1.00 0.00 C ATOM 598 C THR A 42 -11.983 6.563 -1.202 1.00 0.00 C ATOM 599 O THR A 42 -10.931 6.106 -1.652 1.00 0.00 O ATOM 600 CB THR A 42 -12.649 8.973 -0.709 1.00 0.00 C ATOM 601 OG1 THR A 42 -14.036 8.850 -0.470 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.480 9.217 -2.210 1.00 0.00 C ATOM 0 H THR A 42 -9.877 7.843 -0.449 1.00 0.00 H new ATOM 0 HA THR A 42 -12.523 7.359 0.686 1.00 0.00 H new ATOM 0 HB THR A 42 -12.181 9.809 -0.189 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.497 9.650 -0.798 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.001 10.132 -2.491 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.420 9.316 -2.446 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.898 8.377 -2.765 1.00 0.00 H new ATOM 610 N ASN A 43 -13.183 6.109 -1.583 1.00 0.00 N ATOM 611 CA ASN A 43 -13.470 5.038 -2.560 1.00 0.00 C ATOM 612 C ASN A 43 -12.808 3.668 -2.254 1.00 0.00 C ATOM 613 O ASN A 43 -12.771 2.773 -3.100 1.00 0.00 O ATOM 614 CB ASN A 43 -13.286 5.596 -3.998 1.00 0.00 C ATOM 615 CG ASN A 43 -12.097 5.082 -4.800 1.00 0.00 C ATOM 616 OD1 ASN A 43 -12.239 4.548 -5.893 1.00 0.00 O ATOM 617 ND2 ASN A 43 -10.897 5.251 -4.304 1.00 0.00 N ATOM 0 H ASN A 43 -14.040 6.503 -1.194 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.518 4.753 -2.464 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.193 5.379 -4.563 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.204 6.681 -3.931 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.080 4.938 -4.828 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.779 5.696 -3.394 1.00 0.00 H new ATOM 624 N LYS A 44 -12.286 3.520 -1.031 1.00 0.00 N ATOM 625 CA LYS A 44 -11.570 2.360 -0.493 1.00 0.00 C ATOM 626 C LYS A 44 -12.330 1.039 -0.622 1.00 0.00 C ATOM 627 O LYS A 44 -13.356 0.831 0.033 1.00 0.00 O ATOM 628 CB LYS A 44 -11.226 2.660 0.970 1.00 0.00 C ATOM 629 CG LYS A 44 -10.176 1.687 1.524 1.00 0.00 C ATOM 630 CD LYS A 44 -9.156 2.416 2.397 1.00 0.00 C ATOM 631 CE LYS A 44 -8.035 1.468 2.811 1.00 0.00 C ATOM 632 NZ LYS A 44 -6.905 2.233 3.380 1.00 0.00 N ATOM 0 H LYS A 44 -12.359 4.266 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.669 2.214 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.854 3.681 1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.131 2.600 1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.669 0.909 2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.665 1.191 0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.741 3.264 1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.647 2.817 3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.406 0.753 3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.697 0.893 1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.010 1.764 3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.909 3.198 2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.001 2.276 4.415 1.00 0.00 H new ATOM 646 N SER A 45 -11.795 0.149 -1.448 1.00 0.00 N ATOM 647 CA SER A 45 -12.296 -1.203 -1.678 1.00 0.00 C ATOM 648 C SER A 45 -11.408 -2.277 -1.052 1.00 0.00 C ATOM 649 O SER A 45 -10.201 -2.096 -0.860 1.00 0.00 O ATOM 650 CB SER A 45 -12.446 -1.454 -3.184 1.00 0.00 C ATOM 651 OG SER A 45 -13.548 -0.721 -3.700 1.00 0.00 O ATOM 0 H SER A 45 -10.964 0.357 -2.001 1.00 0.00 H new ATOM 0 HA SER A 45 -13.268 -1.273 -1.191 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.532 -1.161 -3.701 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.590 -2.518 -3.369 1.00 0.00 H new ATOM 0 HG SER A 45 -13.631 -0.889 -4.662 1.00 0.00 H new ATOM 657 N LEU A 46 -12.015 -3.431 -0.786 1.00 0.00 N ATOM 658 CA LEU A 46 -11.380 -4.636 -0.257 1.00 0.00 C ATOM 659 C LEU A 46 -11.941 -5.861 -0.988 1.00 0.00 C ATOM 660 O LEU A 46 -13.145 -5.951 -1.246 1.00 0.00 O ATOM 661 CB LEU A 46 -11.546 -4.713 1.271 1.00 0.00 C ATOM 662 CG LEU A 46 -11.099 -6.066 1.886 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.461 -5.857 3.260 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.257 -7.053 2.077 1.00 0.00 C ATOM 0 H LEU A 46 -13.015 -3.558 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.306 -4.607 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -10.971 -3.909 1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.592 -4.539 1.522 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.387 -6.481 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.156 -6.820 3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.588 -5.212 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.183 -5.390 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.878 -7.979 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.000 -6.617 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.717 -7.266 1.112 1.00 0.00 H new ATOM 676 N LYS A 47 -11.051 -6.791 -1.333 1.00 0.00 N ATOM 677 CA LYS A 47 -11.330 -8.032 -2.057 1.00 0.00 C ATOM 678 C LYS A 47 -10.675 -9.215 -1.365 1.00 0.00 C ATOM 679 O LYS A 47 -9.595 -9.075 -0.802 1.00 0.00 O ATOM 680 CB LYS A 47 -10.813 -7.922 -3.497 1.00 0.00 C ATOM 681 CG LYS A 47 -11.769 -8.556 -4.512 1.00 0.00 C ATOM 682 CD LYS A 47 -11.231 -8.515 -5.954 1.00 0.00 C ATOM 683 CE LYS A 47 -11.074 -7.103 -6.540 1.00 0.00 C ATOM 684 NZ LYS A 47 -12.384 -6.433 -6.768 1.00 0.00 N ATOM 0 H LYS A 47 -10.062 -6.694 -1.103 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.408 -8.190 -2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.666 -6.871 -3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.839 -8.406 -3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.955 -9.592 -4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.727 -8.038 -4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.263 -9.015 -5.981 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.902 -9.087 -6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.472 -6.497 -5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.531 -7.163 -7.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.225 -5.484 -7.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.950 -6.996 -7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.893 -6.350 -5.865 1.00 0.00 H new ATOM 698 N GLU A 48 -11.303 -10.379 -1.418 1.00 0.00 N ATOM 699 CA GLU A 48 -10.701 -11.602 -0.873 1.00 0.00 C ATOM 700 C GLU A 48 -10.940 -12.773 -1.840 1.00 0.00 C ATOM 701 O GLU A 48 -12.082 -13.180 -2.065 1.00 0.00 O ATOM 702 CB GLU A 48 -11.308 -11.907 0.511 1.00 0.00 C ATOM 703 CG GLU A 48 -11.074 -10.821 1.569 1.00 0.00 C ATOM 704 CD GLU A 48 -11.688 -11.250 2.917 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.035 -12.004 3.679 1.00 0.00 O ATOM 706 OE2 GLU A 48 -12.839 -10.850 3.220 1.00 0.00 O ATOM 0 H GLU A 48 -12.227 -10.510 -1.830 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.626 -11.460 -0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.381 -12.058 0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.892 -12.846 0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.005 -10.643 1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.519 -9.882 1.241 1.00 0.00 H new ATOM 713 N GLU A 49 -9.862 -13.334 -2.399 1.00 0.00 N ATOM 714 CA GLU A 49 -9.881 -14.523 -3.259 1.00 0.00 C ATOM 715 C GLU A 49 -9.075 -15.701 -2.699 1.00 0.00 C ATOM 716 O GLU A 49 -7.861 -15.607 -2.571 1.00 0.00 O ATOM 717 CB GLU A 49 -9.521 -14.183 -4.715 1.00 0.00 C ATOM 718 CG GLU A 49 -8.098 -13.693 -5.002 1.00 0.00 C ATOM 719 CD GLU A 49 -7.988 -13.240 -6.473 1.00 0.00 C ATOM 720 OE1 GLU A 49 -7.767 -14.095 -7.366 1.00 0.00 O ATOM 721 OE2 GLU A 49 -8.166 -12.030 -6.759 1.00 0.00 O ATOM 0 H GLU A 49 -8.923 -12.961 -2.261 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.913 -14.874 -3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.698 -15.072 -5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.215 -13.418 -5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.847 -12.866 -4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.382 -14.490 -4.803 1.00 0.00 H new ATOM 728 N ASP A 50 -9.702 -16.854 -2.479 1.00 0.00 N ATOM 729 CA ASP A 50 -9.040 -18.133 -2.140 1.00 0.00 C ATOM 730 C ASP A 50 -7.938 -18.133 -1.038 1.00 0.00 C ATOM 731 O ASP A 50 -7.094 -19.032 -0.983 1.00 0.00 O ATOM 732 CB ASP A 50 -8.524 -18.690 -3.483 1.00 0.00 C ATOM 733 CG ASP A 50 -8.270 -20.209 -3.469 1.00 0.00 C ATOM 734 OD1 ASP A 50 -9.145 -20.972 -2.990 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.220 -20.656 -3.992 1.00 0.00 O ATOM 0 H ASP A 50 -10.717 -16.938 -2.531 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.783 -18.762 -1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.249 -18.459 -4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.598 -18.179 -3.746 1.00 0.00 H new ATOM 740 N GLY A 51 -7.920 -17.116 -0.171 1.00 0.00 N ATOM 741 CA GLY A 51 -6.934 -16.890 0.904 1.00 0.00 C ATOM 742 C GLY A 51 -6.158 -15.572 0.752 1.00 0.00 C ATOM 743 O GLY A 51 -5.627 -15.048 1.732 1.00 0.00 O ATOM 0 H GLY A 51 -8.630 -16.384 -0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.448 -16.892 1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.227 -17.720 0.919 1.00 0.00 H new ATOM 747 N GLU A 52 -6.116 -15.011 -0.458 1.00 0.00 N ATOM 748 CA GLU A 52 -5.514 -13.713 -0.774 1.00 0.00 C ATOM 749 C GLU A 52 -6.465 -12.587 -0.342 1.00 0.00 C ATOM 750 O GLU A 52 -7.671 -12.664 -0.573 1.00 0.00 O ATOM 751 CB GLU A 52 -5.210 -13.639 -2.289 1.00 0.00 C ATOM 752 CG GLU A 52 -4.647 -12.301 -2.808 1.00 0.00 C ATOM 753 CD GLU A 52 -4.447 -12.261 -4.343 1.00 0.00 C ATOM 754 OE1 GLU A 52 -4.663 -13.276 -5.052 1.00 0.00 O ATOM 755 OE2 GLU A 52 -4.064 -11.186 -4.866 1.00 0.00 O ATOM 0 H GLU A 52 -6.516 -15.467 -1.278 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.576 -13.595 -0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.499 -14.428 -2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.129 -13.858 -2.833 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.322 -11.496 -2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.691 -12.106 -2.321 1.00 0.00 H new ATOM 762 N GLU A 53 -5.923 -11.522 0.244 1.00 0.00 N ATOM 763 CA GLU A 53 -6.636 -10.317 0.668 1.00 0.00 C ATOM 764 C GLU A 53 -6.083 -9.122 -0.114 1.00 0.00 C ATOM 765 O GLU A 53 -4.870 -8.929 -0.177 1.00 0.00 O ATOM 766 CB GLU A 53 -6.482 -10.084 2.181 1.00 0.00 C ATOM 767 CG GLU A 53 -7.048 -11.224 3.039 1.00 0.00 C ATOM 768 CD GLU A 53 -6.917 -10.906 4.543 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.621 -9.995 5.043 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.114 -11.571 5.242 1.00 0.00 O ATOM 0 H GLU A 53 -4.925 -11.472 0.447 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.700 -10.438 0.463 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.425 -9.955 2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.984 -9.154 2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.096 -11.386 2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.520 -12.150 2.813 1.00 0.00 H new ATOM 777 N ILE A 54 -6.945 -8.310 -0.722 1.00 0.00 N ATOM 778 CA ILE A 54 -6.554 -7.168 -1.540 1.00 0.00 C ATOM 779 C ILE A 54 -7.229 -5.908 -1.006 1.00 0.00 C ATOM 780 O ILE A 54 -8.408 -5.939 -0.655 1.00 0.00 O ATOM 781 CB ILE A 54 -6.923 -7.403 -3.026 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.377 -8.735 -3.601 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.349 -6.234 -3.834 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.362 -9.916 -3.545 1.00 0.00 C ATOM 0 H ILE A 54 -7.956 -8.432 -0.657 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.473 -7.044 -1.485 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.009 -7.465 -3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.085 -8.573 -4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.474 -9.007 -3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.591 -6.367 -4.888 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.781 -5.299 -3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.266 -6.204 -3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.891 -10.803 -3.969 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.637 -10.112 -2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.257 -9.671 -4.118 1.00 0.00 H new ATOM 796 N VAL A 55 -6.500 -4.794 -0.977 1.00 0.00 N ATOM 797 CA VAL A 55 -6.998 -3.482 -0.555 1.00 0.00 C ATOM 798 C VAL A 55 -6.572 -2.446 -1.588 1.00 0.00 C ATOM 799 O VAL A 55 -5.380 -2.217 -1.793 1.00 0.00 O ATOM 800 CB VAL A 55 -6.415 -3.115 0.826 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.963 -1.778 1.332 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.708 -4.200 1.871 1.00 0.00 C ATOM 0 H VAL A 55 -5.518 -4.777 -1.254 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.085 -3.506 -0.478 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.337 -3.032 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.530 -1.553 2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.702 -0.988 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.047 -1.840 1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.282 -3.906 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.786 -4.323 1.975 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.264 -5.143 1.551 1.00 0.00 H new ATOM 812 N THR A 56 -7.540 -1.801 -2.235 1.00 0.00 N ATOM 813 CA THR A 56 -7.298 -0.730 -3.216 1.00 0.00 C ATOM 814 C THR A 56 -7.991 0.575 -2.818 1.00 0.00 C ATOM 815 O THR A 56 -9.160 0.563 -2.427 1.00 0.00 O ATOM 816 CB THR A 56 -7.599 -1.185 -4.651 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.975 -1.437 -4.843 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.845 -2.477 -4.999 1.00 0.00 C ATOM 0 H THR A 56 -8.529 -2.005 -2.095 1.00 0.00 H new ATOM 0 HA THR A 56 -6.231 -0.506 -3.205 1.00 0.00 H new ATOM 0 HB THR A 56 -7.275 -0.369 -5.297 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.129 -1.723 -5.768 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.080 -2.771 -6.022 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.772 -2.308 -4.908 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.147 -3.270 -4.315 1.00 0.00 H new ATOM 826 N TYR A 57 -7.300 1.713 -2.899 1.00 0.00 N ATOM 827 CA TYR A 57 -7.860 3.030 -2.557 1.00 0.00 C ATOM 828 C TYR A 57 -7.141 4.195 -3.258 1.00 0.00 C ATOM 829 O TYR A 57 -6.281 3.999 -4.121 1.00 0.00 O ATOM 830 CB TYR A 57 -7.906 3.212 -1.031 1.00 0.00 C ATOM 831 CG TYR A 57 -6.594 3.217 -0.268 1.00 0.00 C ATOM 832 CD1 TYR A 57 -5.986 1.991 0.062 1.00 0.00 C ATOM 833 CD2 TYR A 57 -6.048 4.421 0.215 1.00 0.00 C ATOM 834 CE1 TYR A 57 -4.850 1.963 0.893 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.921 4.397 1.058 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.320 3.169 1.406 1.00 0.00 C ATOM 837 OH TYR A 57 -3.284 3.144 2.283 1.00 0.00 O ATOM 0 H TYR A 57 -6.328 1.751 -3.206 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.881 3.054 -2.937 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.415 4.153 -0.823 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.527 2.416 -0.620 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.393 1.068 -0.324 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.494 5.365 -0.062 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.384 1.020 1.139 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.515 5.322 1.440 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.045 4.061 2.533 1.00 0.00 H new ATOM 847 N ASP A 58 -7.466 5.424 -2.851 1.00 0.00 N ATOM 848 CA ASP A 58 -6.928 6.659 -3.413 1.00 0.00 C ATOM 849 C ASP A 58 -6.702 7.671 -2.272 1.00 0.00 C ATOM 850 O ASP A 58 -7.357 7.605 -1.225 1.00 0.00 O ATOM 851 CB ASP A 58 -7.990 7.275 -4.363 1.00 0.00 C ATOM 852 CG ASP A 58 -8.260 6.547 -5.698 1.00 0.00 C ATOM 853 OD1 ASP A 58 -8.511 5.320 -5.718 1.00 0.00 O ATOM 854 OD2 ASP A 58 -8.321 7.237 -6.743 1.00 0.00 O ATOM 0 H ASP A 58 -8.133 5.589 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.998 6.446 -3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.932 7.339 -3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.684 8.296 -4.592 1.00 0.00 H new ATOM 859 N HIS A 59 -5.826 8.650 -2.508 1.00 0.00 N ATOM 860 CA HIS A 59 -5.520 9.753 -1.588 1.00 0.00 C ATOM 861 C HIS A 59 -6.042 11.052 -2.215 1.00 0.00 C ATOM 862 O HIS A 59 -5.924 11.239 -3.425 1.00 0.00 O ATOM 863 CB HIS A 59 -4.009 9.868 -1.323 1.00 0.00 C ATOM 864 CG HIS A 59 -3.315 8.620 -0.816 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.937 8.363 0.487 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.731 7.649 -1.591 1.00 0.00 C ATOM 867 CE1 HIS A 59 -2.135 7.283 0.486 1.00 0.00 C ATOM 868 NE2 HIS A 59 -1.975 6.810 -0.759 1.00 0.00 N ATOM 0 H HIS A 59 -5.290 8.700 -3.375 1.00 0.00 H new ATOM 0 HA HIS A 59 -6.002 9.563 -0.629 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.523 10.177 -2.248 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.850 10.666 -0.598 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -3.217 8.899 1.308 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.836 7.548 -2.661 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.682 6.855 1.368 1.00 0.00 H new ATOM 876 N LEU A 60 -6.619 11.952 -1.420 1.00 0.00 N ATOM 877 CA LEU A 60 -7.240 13.198 -1.882 1.00 0.00 C ATOM 878 C LEU A 60 -6.772 14.383 -1.048 1.00 0.00 C ATOM 879 O LEU A 60 -6.785 14.306 0.177 1.00 0.00 O ATOM 880 CB LEU A 60 -8.779 13.133 -1.786 1.00 0.00 C ATOM 881 CG LEU A 60 -9.475 12.274 -2.853 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.505 10.790 -2.494 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.937 12.701 -2.988 1.00 0.00 C ATOM 0 H LEU A 60 -6.670 11.834 -0.408 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.940 13.326 -2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.048 12.747 -0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.172 14.148 -1.849 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.905 12.420 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.009 10.234 -3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.485 10.421 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.043 10.653 -1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.426 12.089 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.444 12.569 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.984 13.749 -3.282 1.00 0.00 H new ATOM 895 N CYS A 61 -6.407 15.478 -1.706 1.00 0.00 N ATOM 896 CA CYS A 61 -5.982 16.720 -1.071 1.00 0.00 C ATOM 897 C CYS A 61 -7.093 17.270 -0.158 1.00 0.00 C ATOM 898 O CYS A 61 -8.216 17.508 -0.601 1.00 0.00 O ATOM 899 CB CYS A 61 -5.604 17.671 -2.219 1.00 0.00 C ATOM 900 SG CYS A 61 -4.606 19.090 -1.672 1.00 0.00 S ATOM 0 H CYS A 61 -6.398 15.527 -2.725 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.124 16.582 -0.413 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.050 17.115 -2.976 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.514 18.036 -2.695 1.00 0.00 H new ATOM 905 N LYS A 62 -6.822 17.489 1.134 1.00 0.00 N ATOM 906 CA LYS A 62 -7.822 18.049 2.072 1.00 0.00 C ATOM 907 C LYS A 62 -8.252 19.479 1.664 1.00 0.00 C ATOM 908 O LYS A 62 -9.265 19.977 2.157 1.00 0.00 O ATOM 909 CB LYS A 62 -7.258 17.960 3.509 1.00 0.00 C ATOM 910 CG LYS A 62 -7.953 18.765 4.623 1.00 0.00 C ATOM 911 CD LYS A 62 -9.392 18.315 4.904 1.00 0.00 C ATOM 912 CE LYS A 62 -10.148 19.298 5.812 1.00 0.00 C ATOM 913 NZ LYS A 62 -9.596 19.342 7.193 1.00 0.00 N ATOM 0 H LYS A 62 -5.918 17.289 1.562 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.739 17.462 2.033 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.266 16.911 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.215 18.273 3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.369 18.679 5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.959 19.820 4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.928 18.211 3.960 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.377 17.331 5.372 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.105 20.296 5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.199 19.013 5.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.141 20.019 7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.660 18.397 7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.600 19.640 7.160 1.00 0.00 H new ATOM 927 N ASN A 63 -7.526 20.132 0.750 1.00 0.00 N ATOM 928 CA ASN A 63 -7.816 21.480 0.277 1.00 0.00 C ATOM 929 C ASN A 63 -8.654 21.461 -1.014 1.00 0.00 C ATOM 930 O ASN A 63 -9.822 21.859 -0.982 1.00 0.00 O ATOM 931 CB ASN A 63 -6.496 22.238 0.104 1.00 0.00 C ATOM 932 CG ASN A 63 -6.738 23.633 -0.440 1.00 0.00 C ATOM 933 OD1 ASN A 63 -7.436 24.442 0.156 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.174 23.970 -1.572 1.00 0.00 N ATOM 0 H ASN A 63 -6.701 19.723 0.311 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.424 22.001 1.016 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.981 22.302 1.062 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.843 21.688 -0.573 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.317 24.905 -1.955 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.591 23.298 -2.071 1.00 0.00 H new ATOM 941 N CYS A 64 -8.085 20.999 -2.133 1.00 0.00 N ATOM 942 CA CYS A 64 -8.747 20.966 -3.439 1.00 0.00 C ATOM 943 C CYS A 64 -9.487 19.646 -3.763 1.00 0.00 C ATOM 944 O CYS A 64 -10.195 19.569 -4.774 1.00 0.00 O ATOM 945 CB CYS A 64 -7.728 21.368 -4.528 1.00 0.00 C ATOM 946 SG CYS A 64 -6.216 20.336 -4.583 1.00 0.00 S ATOM 0 H CYS A 64 -7.134 20.631 -2.155 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.557 21.695 -3.410 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.219 21.321 -5.500 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.437 22.406 -4.368 1.00 0.00 H new ATOM 951 N HIS A 65 -9.361 18.614 -2.915 1.00 0.00 N ATOM 952 CA HIS A 65 -9.952 17.265 -3.080 1.00 0.00 C ATOM 953 C HIS A 65 -9.638 16.577 -4.414 1.00 0.00 C ATOM 954 O HIS A 65 -10.297 15.618 -4.819 1.00 0.00 O ATOM 955 CB HIS A 65 -11.421 17.234 -2.636 1.00 0.00 C ATOM 956 CG HIS A 65 -11.569 17.536 -1.163 1.00 0.00 C ATOM 957 ND1 HIS A 65 -11.879 18.767 -0.609 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.352 16.656 -0.135 1.00 0.00 C ATOM 959 CE1 HIS A 65 -11.868 18.635 0.733 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.561 17.356 1.042 1.00 0.00 N ATOM 0 H HIS A 65 -8.820 18.695 -2.054 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.428 16.610 -2.384 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.991 17.961 -3.215 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.845 16.253 -2.850 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.072 15.617 -0.225 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.071 19.422 1.444 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.494 16.971 1.984 1.00 0.00 H new ATOM 969 N HIS A 66 -8.565 17.020 -5.057 1.00 0.00 N ATOM 970 CA HIS A 66 -7.964 16.386 -6.220 1.00 0.00 C ATOM 971 C HIS A 66 -7.321 15.067 -5.748 1.00 0.00 C ATOM 972 O HIS A 66 -6.815 14.993 -4.622 1.00 0.00 O ATOM 973 CB HIS A 66 -6.921 17.349 -6.771 1.00 0.00 C ATOM 974 CG HIS A 66 -5.601 16.742 -7.121 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.240 16.195 -8.333 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.470 16.915 -6.374 1.00 0.00 C ATOM 977 CE1 HIS A 66 -3.898 16.151 -8.355 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.395 16.623 -7.200 1.00 0.00 N ATOM 0 H HIS A 66 -8.071 17.865 -4.770 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.689 16.162 -7.003 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.329 17.826 -7.662 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.755 18.136 -6.035 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.871 15.883 -9.072 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.422 17.220 -5.339 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.306 15.788 -9.183 1.00 0.00 H new ATOM 986 N VAL A 67 -7.311 14.029 -6.589 1.00 0.00 N ATOM 987 CA VAL A 67 -6.675 12.753 -6.244 1.00 0.00 C ATOM 988 C VAL A 67 -5.151 12.884 -6.342 1.00 0.00 C ATOM 989 O VAL A 67 -4.586 12.911 -7.439 1.00 0.00 O ATOM 990 CB VAL A 67 -7.207 11.600 -7.109 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.505 10.289 -6.757 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.713 11.392 -6.891 1.00 0.00 C ATOM 0 H VAL A 67 -7.737 14.047 -7.516 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.931 12.508 -5.213 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.013 11.870 -8.147 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.898 9.487 -7.382 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.434 10.392 -6.930 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.682 10.052 -5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.061 10.570 -7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.900 11.156 -5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.249 12.303 -7.158 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.496 12.947 -5.180 1.00 0.00 N ATOM 1003 CA ILE A 68 -3.038 13.056 -5.028 1.00 0.00 C ATOM 1004 C ILE A 68 -2.328 11.831 -5.623 1.00 0.00 C ATOM 1005 O ILE A 68 -1.325 11.958 -6.331 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.700 13.225 -3.527 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.106 14.660 -3.131 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.217 12.941 -3.195 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -2.982 14.958 -1.642 1.00 0.00 C ATOM 0 H ILE A 68 -4.983 12.923 -4.284 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.682 13.928 -5.576 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.254 12.486 -2.949 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.486 15.366 -3.684 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.137 14.832 -3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.051 13.078 -2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.972 11.915 -3.472 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.581 13.629 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.287 15.987 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.623 14.279 -1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.947 14.822 -1.329 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.844 10.635 -5.315 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.260 9.356 -5.709 1.00 0.00 C ATOM 1023 C ALA A 69 -3.254 8.183 -5.575 1.00 0.00 C ATOM 1024 O ALA A 69 -4.292 8.304 -4.917 1.00 0.00 O ATOM 1025 CB ALA A 69 -1.044 9.142 -4.787 1.00 0.00 C ATOM 0 H ALA A 69 -3.701 10.532 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.979 9.381 -6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.562 8.196 -5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.334 9.958 -4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.374 9.120 -3.748 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.899 7.025 -6.148 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.629 5.751 -6.046 1.00 0.00 C ATOM 1033 C ARG A 70 -2.758 4.736 -5.310 1.00 0.00 C ATOM 1034 O ARG A 70 -1.557 4.676 -5.569 1.00 0.00 O ATOM 1035 CB ARG A 70 -3.985 5.179 -7.427 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.327 5.662 -7.977 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.280 7.064 -8.588 1.00 0.00 C ATOM 1038 NE ARG A 70 -6.644 7.492 -8.932 1.00 0.00 N ATOM 1039 CZ ARG A 70 -7.096 8.071 -10.024 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -6.336 8.347 -11.045 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -8.356 8.387 -10.091 1.00 0.00 N ATOM 0 H ARG A 70 -2.059 6.946 -6.721 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.557 5.942 -5.506 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.198 5.446 -8.133 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.001 4.091 -7.364 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.672 4.958 -8.734 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.063 5.652 -7.173 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.834 7.765 -7.883 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.651 7.064 -9.479 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.347 7.313 -8.215 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.343 8.113 -11.020 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.733 8.797 -11.870 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.975 8.185 -9.306 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.725 8.836 -10.929 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.392 3.935 -4.455 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.764 2.926 -3.593 1.00 0.00 C ATOM 1057 C HIS A 71 -3.354 1.534 -3.799 1.00 0.00 C ATOM 1058 O HIS A 71 -4.572 1.355 -3.881 1.00 0.00 O ATOM 1059 CB HIS A 71 -3.012 3.321 -2.129 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.098 2.657 -1.116 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.114 3.348 -0.407 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.069 1.336 -0.735 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.508 2.442 0.373 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.076 1.231 0.219 1.00 0.00 N ATOM 0 H HIS A 71 -4.404 3.971 -4.336 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.704 2.891 -3.844 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.904 4.402 -2.038 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.044 3.081 -1.875 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.697 0.540 -1.107 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.320 2.654 1.033 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.817 0.382 0.721 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.494 0.525 -3.813 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.867 -0.879 -3.884 1.00 0.00 C ATOM 1074 C GLU A 72 -1.960 -1.677 -2.941 1.00 0.00 C ATOM 1075 O GLU A 72 -0.737 -1.546 -2.965 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.762 -1.375 -5.338 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.825 -2.904 -5.440 1.00 0.00 C ATOM 1078 CD GLU A 72 -3.000 -3.354 -6.904 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.157 -3.433 -7.383 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -1.984 -3.631 -7.586 1.00 0.00 O ATOM 0 H GLU A 72 -1.485 0.667 -3.774 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.901 -1.017 -3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.570 -0.941 -5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.826 -1.023 -5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.913 -3.337 -5.029 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.654 -3.278 -4.839 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.562 -2.538 -2.130 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.878 -3.480 -1.250 1.00 0.00 C ATOM 1089 C TYR A 73 -2.537 -4.838 -1.471 1.00 0.00 C ATOM 1090 O TYR A 73 -3.758 -4.963 -1.377 1.00 0.00 O ATOM 1091 CB TYR A 73 -1.962 -3.034 0.216 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.767 -4.155 1.233 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.526 -4.808 1.395 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.870 -4.577 1.996 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.380 -5.846 2.337 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.731 -5.606 2.943 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.482 -6.227 3.137 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.362 -7.179 4.102 1.00 0.00 O ATOM 0 H TYR A 73 -3.578 -2.603 -2.064 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.814 -3.531 -1.481 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.209 -2.266 0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.934 -2.572 0.386 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.319 -4.510 0.792 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.832 -4.107 1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.570 -6.348 2.447 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.585 -5.922 3.524 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.468 -7.578 4.059 1.00 0.00 H new ATOM 1108 N THR A 74 -1.748 -5.858 -1.782 1.00 0.00 N ATOM 1109 CA THR A 74 -2.254 -7.216 -2.012 1.00 0.00 C ATOM 1110 C THR A 74 -1.445 -8.184 -1.146 1.00 0.00 C ATOM 1111 O THR A 74 -0.221 -8.085 -1.031 1.00 0.00 O ATOM 1112 CB THR A 74 -2.240 -7.627 -3.504 1.00 0.00 C ATOM 1113 OG1 THR A 74 -1.046 -8.250 -3.918 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.455 -6.463 -4.486 1.00 0.00 C ATOM 0 H THR A 74 -0.737 -5.773 -1.883 1.00 0.00 H new ATOM 0 HA THR A 74 -3.305 -7.249 -1.725 1.00 0.00 H new ATOM 0 HB THR A 74 -3.078 -8.323 -3.542 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.301 -7.619 -3.831 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.430 -6.840 -5.508 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.422 -5.999 -4.294 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.665 -5.724 -4.353 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.130 -9.114 -0.492 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.522 -10.107 0.397 1.00 0.00 C ATOM 1124 C PHE A 75 -2.002 -11.519 0.019 1.00 0.00 C ATOM 1125 O PHE A 75 -3.202 -11.752 -0.010 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.871 -9.763 1.848 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.648 -10.925 2.783 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.336 -11.253 3.143 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.715 -11.754 3.181 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.082 -12.395 3.902 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.455 -12.923 3.918 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.133 -13.250 4.267 1.00 0.00 C ATOM 0 H PHE A 75 -3.143 -9.204 -0.563 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.437 -10.090 0.289 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.266 -8.917 2.174 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.914 -9.450 1.904 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.482 -10.620 2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.730 -11.492 2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.928 -12.622 4.210 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.269 -13.568 4.215 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.927 -14.158 4.815 1.00 0.00 H new ATOM 1142 N SER A 76 -1.102 -12.466 -0.249 1.00 0.00 N ATOM 1143 CA SER A 76 -1.376 -13.843 -0.714 1.00 0.00 C ATOM 1144 C SER A 76 -0.732 -14.925 0.152 1.00 0.00 C ATOM 1145 O SER A 76 0.390 -14.763 0.608 1.00 0.00 O ATOM 1146 CB SER A 76 -0.834 -14.033 -2.141 1.00 0.00 C ATOM 1147 OG SER A 76 -1.798 -13.703 -3.118 1.00 0.00 O ATOM 0 H SER A 76 -0.103 -12.291 -0.144 1.00 0.00 H new ATOM 0 HA SER A 76 -2.459 -13.955 -0.661 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.051 -13.411 -2.279 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.520 -15.068 -2.275 1.00 0.00 H new ATOM 0 HG SER A 76 -1.417 -13.835 -4.011 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.405 -16.056 0.363 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.834 -17.214 1.092 1.00 0.00 C ATOM 1155 C ILE A 77 -0.591 -18.384 0.130 1.00 0.00 C ATOM 1156 O ILE A 77 -1.527 -18.859 -0.518 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.704 -17.631 2.297 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -1.948 -16.404 3.197 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -1.029 -18.805 3.038 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.389 -16.706 4.633 1.00 0.00 C ATOM 0 H ILE A 77 -2.360 -16.206 0.038 1.00 0.00 H new ATOM 0 HA ILE A 77 0.128 -16.908 1.503 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.681 -17.986 1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.030 -15.817 3.235 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.707 -15.779 2.728 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.643 -19.100 3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.921 -19.650 2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.045 -18.495 3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.531 -15.771 5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.326 -17.262 4.616 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.623 -17.301 5.131 1.00 0.00 H new ATOM 1172 N MET A 78 0.661 -18.852 0.047 1.00 0.00 N ATOM 1173 CA MET A 78 1.083 -19.993 -0.780 1.00 0.00 C ATOM 1174 C MET A 78 1.689 -21.152 0.028 1.00 0.00 C ATOM 1175 O MET A 78 2.768 -21.006 0.591 1.00 0.00 O ATOM 1176 CB MET A 78 2.026 -19.537 -1.910 1.00 0.00 C ATOM 1177 CG MET A 78 3.186 -18.629 -1.463 1.00 0.00 C ATOM 1178 SD MET A 78 4.612 -18.533 -2.590 1.00 0.00 S ATOM 1179 CE MET A 78 3.797 -18.343 -4.197 1.00 0.00 C ATOM 0 H MET A 78 1.432 -18.436 0.569 1.00 0.00 H new ATOM 0 HA MET A 78 0.174 -20.394 -1.228 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.442 -20.420 -2.394 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.439 -19.008 -2.661 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.796 -17.622 -1.317 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.539 -18.977 -0.492 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.545 -18.130 -4.961 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.272 -19.264 -4.450 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.084 -17.520 -4.148 1.00 0.00 H new ATOM 1189 N ASP A 79 1.033 -22.319 0.021 1.00 0.00 N ATOM 1190 CA ASP A 79 1.426 -23.598 0.657 1.00 0.00 C ATOM 1191 C ASP A 79 1.789 -23.545 2.162 1.00 0.00 C ATOM 1192 O ASP A 79 1.021 -24.017 3.003 1.00 0.00 O ATOM 1193 CB ASP A 79 2.551 -24.233 -0.181 1.00 0.00 C ATOM 1194 CG ASP A 79 2.832 -25.707 0.170 1.00 0.00 C ATOM 1195 OD1 ASP A 79 1.893 -26.444 0.558 1.00 0.00 O ATOM 1196 OD2 ASP A 79 3.993 -26.151 0.005 1.00 0.00 O ATOM 0 H ASP A 79 0.142 -22.408 -0.467 1.00 0.00 H new ATOM 0 HA ASP A 79 0.530 -24.219 0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.288 -24.164 -1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.465 -23.656 -0.042 1.00 0.00 H new ATOM 1201 N GLU A 80 2.931 -22.949 2.513 1.00 0.00 N ATOM 1202 CA GLU A 80 3.445 -22.763 3.879 1.00 0.00 C ATOM 1203 C GLU A 80 4.018 -21.355 4.092 1.00 0.00 C ATOM 1204 O GLU A 80 4.673 -21.111 5.103 1.00 0.00 O ATOM 1205 CB GLU A 80 4.574 -23.757 4.210 1.00 0.00 C ATOM 1206 CG GLU A 80 4.335 -25.198 3.765 1.00 0.00 C ATOM 1207 CD GLU A 80 5.376 -26.154 4.378 1.00 0.00 C ATOM 1208 OE1 GLU A 80 6.534 -26.201 3.893 1.00 0.00 O ATOM 1209 OE2 GLU A 80 5.044 -26.880 5.348 1.00 0.00 O ATOM 0 H GLU A 80 3.562 -22.559 1.812 1.00 0.00 H new ATOM 0 HA GLU A 80 2.587 -22.928 4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.495 -23.401 3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.735 -23.750 5.288 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.333 -25.510 4.060 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.380 -25.257 2.678 1.00 0.00 H new ATOM 1216 N PHE A 81 3.843 -20.426 3.148 1.00 0.00 N ATOM 1217 CA PHE A 81 4.444 -19.096 3.255 1.00 0.00 C ATOM 1218 C PHE A 81 3.366 -18.038 2.980 1.00 0.00 C ATOM 1219 O PHE A 81 2.266 -18.327 2.501 1.00 0.00 O ATOM 1220 CB PHE A 81 5.554 -18.900 2.199 1.00 0.00 C ATOM 1221 CG PHE A 81 6.316 -20.129 1.741 1.00 0.00 C ATOM 1222 CD1 PHE A 81 6.944 -21.020 2.628 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.294 -20.420 0.367 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.581 -22.173 2.131 1.00 0.00 C ATOM 1225 CE2 PHE A 81 6.914 -21.572 -0.134 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.570 -22.449 0.749 1.00 0.00 C ATOM 0 H PHE A 81 3.291 -20.571 2.303 1.00 0.00 H new ATOM 0 HA PHE A 81 4.865 -18.997 4.255 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.103 -18.438 1.321 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.276 -18.188 2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.938 -20.821 3.689 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.792 -19.747 -0.312 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.080 -22.848 2.811 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.889 -21.786 -1.192 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.064 -23.331 0.369 1.00 0.00 H new ATOM 1236 N GLN A 82 3.718 -16.784 3.224 1.00 0.00 N ATOM 1237 CA GLN A 82 2.871 -15.616 3.006 1.00 0.00 C ATOM 1238 C GLN A 82 3.603 -14.626 2.116 1.00 0.00 C ATOM 1239 O GLN A 82 4.802 -14.440 2.274 1.00 0.00 O ATOM 1240 CB GLN A 82 2.543 -14.924 4.331 1.00 0.00 C ATOM 1241 CG GLN A 82 2.482 -15.819 5.553 1.00 0.00 C ATOM 1242 CD GLN A 82 1.951 -15.084 6.773 1.00 0.00 C ATOM 1243 OE1 GLN A 82 2.461 -14.057 7.198 1.00 0.00 O ATOM 1244 NE2 GLN A 82 0.893 -15.595 7.354 1.00 0.00 N ATOM 0 H GLN A 82 4.637 -16.541 3.594 1.00 0.00 H new ATOM 0 HA GLN A 82 1.945 -15.947 2.537 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.291 -14.151 4.509 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.582 -14.420 4.226 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.845 -16.678 5.342 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.478 -16.206 5.768 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.476 -16.452 6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.487 -15.136 8.169 1.00 0.00 H new ATOM 1253 N GLU A 83 2.881 -13.952 1.241 1.00 0.00 N ATOM 1254 CA GLU A 83 3.367 -12.966 0.283 1.00 0.00 C ATOM 1255 C GLU A 83 2.665 -11.641 0.533 1.00 0.00 C ATOM 1256 O GLU A 83 1.438 -11.566 0.580 1.00 0.00 O ATOM 1257 CB GLU A 83 3.048 -13.390 -1.165 1.00 0.00 C ATOM 1258 CG GLU A 83 4.103 -14.293 -1.802 1.00 0.00 C ATOM 1259 CD GLU A 83 3.766 -14.590 -3.279 1.00 0.00 C ATOM 1260 OE1 GLU A 83 2.614 -14.984 -3.586 1.00 0.00 O ATOM 1261 OE2 GLU A 83 4.654 -14.421 -4.152 1.00 0.00 O ATOM 0 H GLU A 83 1.872 -14.085 1.173 1.00 0.00 H new ATOM 0 HA GLU A 83 4.446 -12.880 0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.089 -13.907 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.935 -12.495 -1.777 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.081 -13.815 -1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.168 -15.228 -1.246 1.00 0.00 H new ATOM 1268 N TYR A 84 3.453 -10.586 0.642 1.00 0.00 N ATOM 1269 CA TYR A 84 2.994 -9.220 0.851 1.00 0.00 C ATOM 1270 C TYR A 84 3.476 -8.359 -0.299 1.00 0.00 C ATOM 1271 O TYR A 84 4.663 -8.390 -0.619 1.00 0.00 O ATOM 1272 CB TYR A 84 3.595 -8.673 2.141 1.00 0.00 C ATOM 1273 CG TYR A 84 3.071 -9.350 3.391 1.00 0.00 C ATOM 1274 CD1 TYR A 84 3.667 -10.537 3.864 1.00 0.00 C ATOM 1275 CD2 TYR A 84 1.940 -8.822 4.040 1.00 0.00 C ATOM 1276 CE1 TYR A 84 3.151 -11.182 5.004 1.00 0.00 C ATOM 1277 CE2 TYR A 84 1.441 -9.446 5.202 1.00 0.00 C ATOM 1278 CZ TYR A 84 2.055 -10.620 5.696 1.00 0.00 C ATOM 1279 OH TYR A 84 1.564 -11.244 6.803 1.00 0.00 O ATOM 0 H TYR A 84 4.469 -10.658 0.586 1.00 0.00 H new ATOM 0 HA TYR A 84 1.906 -9.208 0.911 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.678 -8.787 2.104 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.389 -7.605 2.203 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.521 -10.952 3.350 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.455 -7.940 3.649 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.592 -12.105 5.349 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.588 -9.027 5.715 1.00 0.00 H new ATOM 0 HH TYR A 84 1.888 -12.169 6.828 1.00 0.00 H new ATOM 1289 N THR A 85 2.586 -7.592 -0.919 1.00 0.00 N ATOM 1290 CA THR A 85 2.953 -6.684 -2.005 1.00 0.00 C ATOM 1291 C THR A 85 2.179 -5.372 -1.853 1.00 0.00 C ATOM 1292 O THR A 85 1.013 -5.340 -1.463 1.00 0.00 O ATOM 1293 CB THR A 85 2.758 -7.294 -3.415 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.470 -7.044 -3.934 1.00 0.00 O ATOM 1295 CG2 THR A 85 2.918 -8.822 -3.480 1.00 0.00 C ATOM 0 H THR A 85 1.593 -7.580 -0.686 1.00 0.00 H new ATOM 0 HA THR A 85 4.023 -6.493 -1.922 1.00 0.00 H new ATOM 0 HB THR A 85 3.545 -6.807 -3.991 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.393 -7.445 -4.825 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.764 -9.161 -4.505 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.921 -9.097 -3.153 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.182 -9.293 -2.828 1.00 0.00 H new ATOM 1303 N MET A 86 2.830 -4.260 -2.153 1.00 0.00 N ATOM 1304 CA MET A 86 2.270 -2.912 -2.125 1.00 0.00 C ATOM 1305 C MET A 86 2.763 -2.135 -3.344 1.00 0.00 C ATOM 1306 O MET A 86 3.891 -2.312 -3.803 1.00 0.00 O ATOM 1307 CB MET A 86 2.655 -2.233 -0.808 1.00 0.00 C ATOM 1308 CG MET A 86 2.209 -0.773 -0.723 1.00 0.00 C ATOM 1309 SD MET A 86 2.713 0.075 0.798 1.00 0.00 S ATOM 1310 CE MET A 86 4.414 0.523 0.343 1.00 0.00 C ATOM 0 H MET A 86 3.810 -4.270 -2.436 1.00 0.00 H new ATOM 0 HA MET A 86 1.182 -2.945 -2.174 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.215 -2.788 0.020 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.737 -2.282 -0.685 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.614 -0.231 -1.578 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.123 -0.732 -0.805 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.940 0.896 1.222 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.931 -0.356 -0.043 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.394 1.298 -0.423 1.00 0.00 H new ATOM 1320 N LEU A 87 1.888 -1.280 -3.857 1.00 0.00 N ATOM 1321 CA LEU A 87 2.102 -0.423 -5.020 1.00 0.00 C ATOM 1322 C LEU A 87 1.250 0.860 -4.901 1.00 0.00 C ATOM 1323 O LEU A 87 0.037 0.842 -5.106 1.00 0.00 O ATOM 1324 CB LEU A 87 1.697 -1.220 -6.275 1.00 0.00 C ATOM 1325 CG LEU A 87 2.051 -0.507 -7.579 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.481 -0.820 -7.988 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.123 -0.903 -8.724 1.00 0.00 C ATOM 0 H LEU A 87 0.960 -1.158 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 87 3.149 -0.125 -5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.189 -2.192 -6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.623 -1.405 -6.249 1.00 0.00 H new ATOM 0 HG LEU A 87 1.935 0.560 -7.389 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.715 -0.303 -8.919 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.164 -0.487 -7.207 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.591 -1.895 -8.132 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.414 -0.370 -9.629 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.195 -1.977 -8.896 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.096 -0.645 -8.466 1.00 0.00 H new ATOM 1339 N CYS A 88 1.897 1.978 -4.594 1.00 0.00 N ATOM 1340 CA CYS A 88 1.308 3.304 -4.464 1.00 0.00 C ATOM 1341 C CYS A 88 2.270 4.368 -5.012 1.00 0.00 C ATOM 1342 O CYS A 88 3.475 4.326 -4.736 1.00 0.00 O ATOM 1343 CB CYS A 88 1.009 3.580 -2.986 1.00 0.00 C ATOM 1344 SG CYS A 88 0.403 5.286 -2.740 1.00 0.00 S ATOM 0 H CYS A 88 2.902 1.983 -4.420 1.00 0.00 H new ATOM 0 HA CYS A 88 0.382 3.345 -5.038 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.264 2.871 -2.625 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.911 3.423 -2.395 1.00 0.00 H new ATOM 1349 N LEU A 89 1.735 5.332 -5.767 1.00 0.00 N ATOM 1350 CA LEU A 89 2.489 6.462 -6.316 1.00 0.00 C ATOM 1351 C LEU A 89 3.149 7.302 -5.209 1.00 0.00 C ATOM 1352 O LEU A 89 4.259 7.799 -5.407 1.00 0.00 O ATOM 1353 CB LEU A 89 1.537 7.299 -7.200 1.00 0.00 C ATOM 1354 CG LEU A 89 2.077 8.666 -7.663 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.296 8.546 -8.561 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.052 9.456 -8.475 1.00 0.00 C ATOM 0 H LEU A 89 0.747 5.349 -6.018 1.00 0.00 H new ATOM 0 HA LEU A 89 3.311 6.091 -6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.283 6.713 -8.083 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.611 7.463 -6.649 1.00 0.00 H new ATOM 0 HG LEU A 89 2.325 9.175 -6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.631 9.541 -8.855 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.096 8.038 -8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.037 7.973 -9.451 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.484 10.411 -8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.774 8.887 -9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.165 9.635 -7.867 1.00 0.00 H new ATOM 1368 N LEU A 90 2.498 7.422 -4.050 1.00 0.00 N ATOM 1369 CA LEU A 90 2.980 8.164 -2.892 1.00 0.00 C ATOM 1370 C LEU A 90 3.670 7.239 -1.890 1.00 0.00 C ATOM 1371 O LEU A 90 4.853 7.425 -1.600 1.00 0.00 O ATOM 1372 CB LEU A 90 1.775 8.848 -2.216 1.00 0.00 C ATOM 1373 CG LEU A 90 2.085 9.442 -0.828 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.193 10.485 -0.896 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.838 10.083 -0.223 1.00 0.00 C ATOM 0 H LEU A 90 1.589 6.988 -3.890 1.00 0.00 H new ATOM 0 HA LEU A 90 3.709 8.904 -3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.411 9.643 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.968 8.122 -2.117 1.00 0.00 H new ATOM 0 HG LEU A 90 2.418 8.617 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.382 10.880 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.102 10.025 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.888 11.297 -1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.080 10.496 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.486 10.881 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.057 9.330 -0.117 1.00 0.00 H new ATOM 1387 N CYS A 91 2.929 6.296 -1.326 1.00 0.00 N ATOM 1388 CA CYS A 91 3.394 5.436 -0.257 1.00 0.00 C ATOM 1389 C CYS A 91 4.542 4.509 -0.678 1.00 0.00 C ATOM 1390 O CYS A 91 5.479 4.315 0.100 1.00 0.00 O ATOM 1391 CB CYS A 91 2.196 4.685 0.330 1.00 0.00 C ATOM 1392 SG CYS A 91 0.956 5.857 0.961 1.00 0.00 S ATOM 0 H CYS A 91 1.967 6.107 -1.608 1.00 0.00 H new ATOM 0 HA CYS A 91 3.835 6.057 0.523 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.748 4.049 -0.434 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.529 4.030 1.135 1.00 0.00 H new ATOM 1397 N GLY A 92 4.507 3.990 -1.909 1.00 0.00 N ATOM 1398 CA GLY A 92 5.609 3.219 -2.485 1.00 0.00 C ATOM 1399 C GLY A 92 5.284 1.857 -3.087 1.00 0.00 C ATOM 1400 O GLY A 92 4.171 1.342 -2.981 1.00 0.00 O ATOM 0 H GLY A 92 3.709 4.094 -2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.073 3.827 -3.262 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.357 3.071 -1.706 1.00 0.00 H new ATOM 1404 N LYS A 93 6.308 1.247 -3.694 1.00 0.00 N ATOM 1405 CA LYS A 93 6.280 -0.108 -4.260 1.00 0.00 C ATOM 1406 C LYS A 93 7.197 -1.024 -3.455 1.00 0.00 C ATOM 1407 O LYS A 93 8.408 -0.803 -3.392 1.00 0.00 O ATOM 1408 CB LYS A 93 6.651 -0.057 -5.744 1.00 0.00 C ATOM 1409 CG LYS A 93 6.948 -1.437 -6.376 1.00 0.00 C ATOM 1410 CD LYS A 93 7.633 -1.329 -7.748 1.00 0.00 C ATOM 1411 CE LYS A 93 6.771 -0.634 -8.810 1.00 0.00 C ATOM 1412 NZ LYS A 93 7.477 -0.544 -10.116 1.00 0.00 N ATOM 0 H LYS A 93 7.214 1.700 -3.809 1.00 0.00 H new ATOM 0 HA LYS A 93 5.274 -0.523 -4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.836 0.413 -6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.527 0.581 -5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.584 -2.011 -5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.015 -1.991 -6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.569 -0.781 -7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.889 -2.329 -8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.838 -1.182 -8.937 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.508 0.367 -8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.865 -0.069 -10.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.355 0.000 -9.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.705 -1.501 -10.454 1.00 0.00 H new ATOM 1426 N ALA A 94 6.621 -2.048 -2.839 1.00 0.00 N ATOM 1427 CA ALA A 94 7.330 -3.010 -2.004 1.00 0.00 C ATOM 1428 C ALA A 94 6.794 -4.450 -2.121 1.00 0.00 C ATOM 1429 O ALA A 94 5.638 -4.664 -2.483 1.00 0.00 O ATOM 1430 CB ALA A 94 7.252 -2.501 -0.563 1.00 0.00 C ATOM 0 H ALA A 94 5.621 -2.238 -2.908 1.00 0.00 H new ATOM 0 HA ALA A 94 8.363 -3.078 -2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.773 -3.195 0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.720 -1.519 -0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.208 -2.426 -0.260 1.00 0.00 H new ATOM 1436 N GLU A 95 7.627 -5.441 -1.789 1.00 0.00 N ATOM 1437 CA GLU A 95 7.251 -6.861 -1.750 1.00 0.00 C ATOM 1438 C GLU A 95 8.090 -7.630 -0.712 1.00 0.00 C ATOM 1439 O GLU A 95 9.302 -7.428 -0.616 1.00 0.00 O ATOM 1440 CB GLU A 95 7.410 -7.465 -3.155 1.00 0.00 C ATOM 1441 CG GLU A 95 7.113 -8.966 -3.246 1.00 0.00 C ATOM 1442 CD GLU A 95 7.224 -9.453 -4.704 1.00 0.00 C ATOM 1443 OE1 GLU A 95 6.227 -9.359 -5.461 1.00 0.00 O ATOM 1444 OE2 GLU A 95 8.314 -9.928 -5.108 1.00 0.00 O ATOM 0 H GLU A 95 8.601 -5.277 -1.535 1.00 0.00 H new ATOM 0 HA GLU A 95 6.209 -6.947 -1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.748 -6.936 -3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.430 -7.289 -3.498 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.811 -9.519 -2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.112 -9.168 -2.864 1.00 0.00 H new ATOM 1451 N ASP A 96 7.451 -8.516 0.055 1.00 0.00 N ATOM 1452 CA ASP A 96 8.053 -9.373 1.081 1.00 0.00 C ATOM 1453 C ASP A 96 7.423 -10.773 1.098 1.00 0.00 C ATOM 1454 O ASP A 96 6.243 -10.924 0.776 1.00 0.00 O ATOM 1455 CB ASP A 96 7.882 -8.741 2.474 1.00 0.00 C ATOM 1456 CG ASP A 96 8.975 -9.212 3.449 1.00 0.00 C ATOM 1457 OD1 ASP A 96 10.178 -9.072 3.121 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.633 -9.724 4.541 1.00 0.00 O ATOM 0 H ASP A 96 6.445 -8.663 -0.027 1.00 0.00 H new ATOM 0 HA ASP A 96 9.111 -9.468 0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.914 -7.655 2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.901 -9.000 2.873 1.00 0.00 H new ATOM 1463 N THR A 97 8.171 -11.793 1.528 1.00 0.00 N ATOM 1464 CA THR A 97 7.638 -13.158 1.698 1.00 0.00 C ATOM 1465 C THR A 97 8.101 -13.760 3.032 1.00 0.00 C ATOM 1466 O THR A 97 9.279 -13.658 3.381 1.00 0.00 O ATOM 1467 CB THR A 97 8.003 -14.096 0.535 1.00 0.00 C ATOM 1468 OG1 THR A 97 8.046 -13.436 -0.716 1.00 0.00 O ATOM 1469 CG2 THR A 97 6.980 -15.218 0.389 1.00 0.00 C ATOM 0 H THR A 97 9.158 -11.702 1.768 1.00 0.00 H new ATOM 0 HA THR A 97 6.552 -13.065 1.701 1.00 0.00 H new ATOM 0 HB THR A 97 8.992 -14.480 0.787 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.284 -14.078 -1.417 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.265 -15.864 -0.441 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.947 -15.802 1.309 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.996 -14.790 0.195 1.00 0.00 H new ATOM 1477 N ILE A 98 7.179 -14.372 3.788 1.00 0.00 N ATOM 1478 CA ILE A 98 7.417 -14.955 5.122 1.00 0.00 C ATOM 1479 C ILE A 98 7.059 -16.439 5.151 1.00 0.00 C ATOM 1480 O ILE A 98 5.940 -16.799 4.805 1.00 0.00 O ATOM 1481 CB ILE A 98 6.569 -14.238 6.206 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.551 -12.707 6.037 1.00 0.00 C ATOM 1483 CG2 ILE A 98 7.097 -14.614 7.595 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.823 -11.928 7.142 1.00 0.00 C ATOM 0 H ILE A 98 6.213 -14.480 3.480 1.00 0.00 H new ATOM 0 HA ILE A 98 8.479 -14.826 5.332 1.00 0.00 H new ATOM 0 HB ILE A 98 5.538 -14.574 6.091 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.580 -12.353 5.985 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.084 -12.470 5.081 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.503 -14.112 8.358 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.026 -15.693 7.732 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.139 -14.305 7.684 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.870 -10.861 6.926 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.781 -12.244 7.184 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.301 -12.125 8.102 1.00 0.00 H new ATOM 1496 N SER A 99 7.940 -17.306 5.639 1.00 0.00 N ATOM 1497 CA SER A 99 7.618 -18.728 5.839 1.00 0.00 C ATOM 1498 C SER A 99 6.917 -18.906 7.196 1.00 0.00 C ATOM 1499 O SER A 99 7.335 -18.330 8.205 1.00 0.00 O ATOM 1500 CB SER A 99 8.862 -19.605 5.682 1.00 0.00 C ATOM 1501 OG SER A 99 9.944 -19.147 6.483 1.00 0.00 O ATOM 0 H SER A 99 8.891 -17.053 5.907 1.00 0.00 H new ATOM 0 HA SER A 99 6.926 -19.061 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.618 -20.632 5.956 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.166 -19.618 4.635 1.00 0.00 H new ATOM 0 HG SER A 99 10.718 -19.735 6.355 1.00 0.00 H new ATOM 1507 N ILE A 100 5.813 -19.660 7.219 1.00 0.00 N ATOM 1508 CA ILE A 100 4.942 -19.836 8.395 1.00 0.00 C ATOM 1509 C ILE A 100 4.507 -21.295 8.644 1.00 0.00 C ATOM 1510 O ILE A 100 4.962 -22.240 7.997 1.00 0.00 O ATOM 1511 CB ILE A 100 3.736 -18.848 8.326 1.00 0.00 C ATOM 1512 CG1 ILE A 100 2.859 -18.921 7.056 1.00 0.00 C ATOM 1513 CG2 ILE A 100 4.230 -17.401 8.507 1.00 0.00 C ATOM 1514 CD1 ILE A 100 2.021 -20.192 6.876 1.00 0.00 C ATOM 0 H ILE A 100 5.489 -20.179 6.403 1.00 0.00 H new ATOM 0 HA ILE A 100 5.540 -19.587 9.272 1.00 0.00 H new ATOM 0 HB ILE A 100 3.087 -19.168 9.141 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.184 -18.065 7.058 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.508 -18.814 6.187 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.382 -16.718 8.457 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.719 -17.302 9.476 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.939 -17.157 7.716 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.450 -20.123 5.950 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.680 -21.059 6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.336 -20.298 7.717 1.00 0.00 H new ATOM 1526 N LEU A 101 3.611 -21.458 9.617 1.00 0.00 N ATOM 1527 CA LEU A 101 2.980 -22.695 10.078 1.00 0.00 C ATOM 1528 C LEU A 101 1.448 -22.494 10.107 1.00 0.00 C ATOM 1529 O LEU A 101 0.997 -21.343 10.130 1.00 0.00 O ATOM 1530 CB LEU A 101 3.537 -22.981 11.488 1.00 0.00 C ATOM 1531 CG LEU A 101 5.011 -23.432 11.530 1.00 0.00 C ATOM 1532 CD1 LEU A 101 5.461 -23.564 12.985 1.00 0.00 C ATOM 1533 CD2 LEU A 101 5.229 -24.782 10.842 1.00 0.00 C ATOM 0 H LEU A 101 3.278 -20.655 10.151 1.00 0.00 H new ATOM 0 HA LEU A 101 3.192 -23.537 9.420 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.431 -22.080 12.093 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.924 -23.752 11.954 1.00 0.00 H new ATOM 0 HG LEU A 101 5.591 -22.677 10.999 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.503 -23.883 13.016 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.361 -22.601 13.486 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.840 -24.303 13.492 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.283 -25.054 10.900 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.630 -25.545 11.339 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.929 -24.710 9.796 1.00 0.00 H new ATOM 1545 N PRO A 102 0.625 -23.564 10.135 1.00 0.00 N ATOM 1546 CA PRO A 102 -0.843 -23.457 10.147 1.00 0.00 C ATOM 1547 C PRO A 102 -1.435 -22.658 11.326 1.00 0.00 C ATOM 1548 O PRO A 102 -2.594 -22.245 11.271 1.00 0.00 O ATOM 1549 CB PRO A 102 -1.367 -24.898 10.082 1.00 0.00 C ATOM 1550 CG PRO A 102 -0.204 -25.739 10.601 1.00 0.00 C ATOM 1551 CD PRO A 102 1.022 -24.967 10.119 1.00 0.00 C ATOM 0 HA PRO A 102 -1.169 -22.865 9.291 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -2.258 -25.027 10.697 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.639 -25.178 9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.224 -25.828 11.687 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.227 -26.752 10.198 1.00 0.00 H new ATOM 0 HD2 PRO A 102 1.878 -25.141 10.771 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.316 -25.281 9.117 1.00 0.00 H new ATOM 1559 N ASP A 103 -0.646 -22.391 12.372 1.00 0.00 N ATOM 1560 CA ASP A 103 -1.024 -21.556 13.524 1.00 0.00 C ATOM 1561 C ASP A 103 -1.022 -20.036 13.203 1.00 0.00 C ATOM 1562 O ASP A 103 -1.444 -19.225 14.028 1.00 0.00 O ATOM 1563 CB ASP A 103 -0.053 -21.875 14.672 1.00 0.00 C ATOM 1564 CG ASP A 103 -0.497 -21.282 16.023 1.00 0.00 C ATOM 1565 OD1 ASP A 103 -1.602 -21.630 16.504 1.00 0.00 O ATOM 1566 OD2 ASP A 103 0.283 -20.513 16.637 1.00 0.00 O ATOM 0 H ASP A 103 0.302 -22.760 12.445 1.00 0.00 H new ATOM 0 HA ASP A 103 -2.051 -21.791 13.804 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.041 -22.956 14.770 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.936 -21.491 14.421 1.00 0.00 H new ATOM 1571 N ASP A 104 -0.552 -19.643 12.009 1.00 0.00 N ATOM 1572 CA ASP A 104 -0.416 -18.261 11.512 1.00 0.00 C ATOM 1573 C ASP A 104 0.275 -17.288 12.510 1.00 0.00 C ATOM 1574 O ASP A 104 -0.343 -16.330 12.991 1.00 0.00 O ATOM 1575 CB ASP A 104 -1.758 -17.748 10.953 1.00 0.00 C ATOM 1576 CG ASP A 104 -1.611 -16.421 10.189 1.00 0.00 C ATOM 1577 OD1 ASP A 104 -0.477 -16.032 9.830 1.00 0.00 O ATOM 1578 OD2 ASP A 104 -2.633 -15.752 9.904 1.00 0.00 O ATOM 0 H ASP A 104 -0.236 -20.324 11.319 1.00 0.00 H new ATOM 0 HA ASP A 104 0.286 -18.290 10.678 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -2.182 -18.501 10.288 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.462 -17.614 11.774 1.00 0.00 H new ATOM 1583 N PRO A 105 1.559 -17.531 12.859 1.00 0.00 N ATOM 1584 CA PRO A 105 2.308 -16.725 13.830 1.00 0.00 C ATOM 1585 C PRO A 105 2.761 -15.334 13.341 1.00 0.00 C ATOM 1586 O PRO A 105 3.189 -14.525 14.168 1.00 0.00 O ATOM 1587 CB PRO A 105 3.525 -17.590 14.187 1.00 0.00 C ATOM 1588 CG PRO A 105 3.794 -18.372 12.904 1.00 0.00 C ATOM 1589 CD PRO A 105 2.385 -18.633 12.376 1.00 0.00 C ATOM 0 HA PRO A 105 1.658 -16.487 14.672 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.382 -16.979 14.472 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.314 -18.254 15.025 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.393 -17.798 12.197 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.333 -19.299 13.099 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.379 -18.676 11.287 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.006 -19.590 12.735 1.00 0.00 H new ATOM 1597 N ARG A 106 2.700 -15.042 12.027 1.00 0.00 N ATOM 1598 CA ARG A 106 3.137 -13.770 11.384 1.00 0.00 C ATOM 1599 C ARG A 106 4.588 -13.343 11.715 1.00 0.00 C ATOM 1600 O ARG A 106 4.936 -12.169 11.580 1.00 0.00 O ATOM 1601 CB ARG A 106 2.112 -12.645 11.690 1.00 0.00 C ATOM 1602 CG ARG A 106 0.683 -12.908 11.186 1.00 0.00 C ATOM 1603 CD ARG A 106 0.540 -12.694 9.673 1.00 0.00 C ATOM 1604 NE ARG A 106 -0.677 -13.354 9.175 1.00 0.00 N ATOM 1605 CZ ARG A 106 -1.451 -13.031 8.160 1.00 0.00 C ATOM 1606 NH1 ARG A 106 -1.191 -12.048 7.347 1.00 0.00 N ATOM 1607 NH2 ARG A 106 -2.520 -13.739 7.953 1.00 0.00 N ATOM 0 H ARG A 106 2.331 -15.709 11.349 1.00 0.00 H new ATOM 0 HA ARG A 106 3.158 -13.958 10.310 1.00 0.00 H new ATOM 0 HB2 ARG A 106 2.077 -12.490 12.768 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.472 -11.717 11.246 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.398 -13.931 11.433 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.010 -12.249 11.709 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.499 -11.627 9.452 1.00 0.00 H new ATOM 0 HD3 ARG A 106 1.414 -13.093 9.159 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.964 -14.185 9.693 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.352 -11.484 7.481 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.826 -11.842 6.576 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.741 -14.521 8.569 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -3.139 -13.513 7.174 1.00 0.00 H new ATOM 1621 N GLN A 107 5.434 -14.285 12.154 1.00 0.00 N ATOM 1622 CA GLN A 107 6.833 -14.101 12.587 1.00 0.00 C ATOM 1623 C GLN A 107 7.079 -12.784 13.344 1.00 0.00 C ATOM 1624 O GLN A 107 7.159 -12.767 14.580 1.00 0.00 O ATOM 1625 CB GLN A 107 7.803 -14.219 11.395 1.00 0.00 C ATOM 1626 CG GLN A 107 7.790 -15.573 10.660 1.00 0.00 C ATOM 1627 CD GLN A 107 8.262 -16.778 11.479 1.00 0.00 C ATOM 1628 OE1 GLN A 107 8.695 -16.691 12.622 1.00 0.00 O ATOM 1629 NE2 GLN A 107 8.210 -17.965 10.916 1.00 0.00 N ATOM 0 H GLN A 107 5.144 -15.261 12.222 1.00 0.00 H new ATOM 0 HA GLN A 107 7.028 -14.907 13.295 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.566 -13.434 10.677 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.815 -14.029 11.753 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.775 -15.768 10.313 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.419 -15.490 9.774 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.854 -18.063 9.965 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.526 -18.787 11.430 1.00 0.00 H new TER 1638 GLN A 107 HETATM 1639 ZN ZN A 108 -1.719 17.524 -6.393 1.00 0.00 ZN HETATM 1640 ZN ZN A 109 -4.140 20.147 -3.646 1.00 0.00 ZN HETATM 1641 ZN ZN A 110 -0.529 5.320 -0.676 1.00 0.00 ZN