USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 673 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 LYS NZ :NH3+ -116:sc= 0.68 (180deg=-0.00841) USER MOD Set 1.2: A 74 GLN :FLIP amide:sc= 0.309 F(o=-1.2,f=0.99) USER MOD Single : A 6 LYS NZ :NH3+ -158:sc= -0.017 (180deg=-0.271) USER MOD Single : A 9 LYS NZ :NH3+ -156:sc= -0.0649 (180deg=-0.328) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 14 THR OG1 : rot -30:sc= -3.57! USER MOD Single : A 15 ASN : amide:sc= -6.9! C(o=-6.9!,f=-18!) USER MOD Single : A 19 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.15) USER MOD Single : A 20 SER OG : rot -14:sc= 0.648 USER MOD Single : A 21 MET CE :methyl 134:sc= -1.22 (180deg=-1.82!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -58:sc= -2.39 USER MOD Single : A 29 THR OG1 : rot 165:sc= 0.601 USER MOD Single : A 34 GLN : amide:sc= -2.4 X(o=-2.4,f=-2.3!) USER MOD Single : A 36 SER OG : rot -150:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -5.03! C(o=-5!,f=-12!) USER MOD Single : A 49 CYS SG : rot 180:sc= -1.05 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -132:sc= 0.166 (180deg=-0.0254) USER MOD Single : A 75 HIS : no HD1:sc= -0.396 K(o=-0.4,f=-2.8!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 6 12.898 11.679 -7.460 1.00 0.00 N ATOM 2 CA LYS A 6 12.722 12.247 -6.128 1.00 0.00 C ATOM 3 C LYS A 6 11.329 11.929 -5.596 1.00 0.00 C ATOM 4 O LYS A 6 10.369 12.651 -5.865 1.00 0.00 O ATOM 5 CB LYS A 6 12.940 13.762 -6.159 1.00 0.00 C ATOM 6 CG LYS A 6 12.105 14.477 -7.209 1.00 0.00 C ATOM 7 CD LYS A 6 11.493 15.759 -6.663 1.00 0.00 C ATOM 8 CE LYS A 6 12.158 16.992 -7.251 1.00 0.00 C ATOM 9 NZ LYS A 6 13.634 16.974 -7.056 1.00 0.00 N ATOM 0 HA LYS A 6 13.462 11.802 -5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.705 14.174 -5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.995 13.965 -6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.728 14.710 -8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.312 13.815 -7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.427 15.778 -6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.590 15.775 -5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.933 17.052 -8.316 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.741 17.886 -6.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.004 17.944 -7.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.856 16.577 -6.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.075 16.388 -7.794 1.00 0.00 H new ATOM 23 N GLU A 7 11.224 10.835 -4.849 1.00 0.00 N ATOM 24 CA GLU A 7 9.947 10.408 -4.288 1.00 0.00 C ATOM 25 C GLU A 7 10.057 10.178 -2.783 1.00 0.00 C ATOM 26 O GLU A 7 11.072 10.511 -2.172 1.00 0.00 O ATOM 27 CB GLU A 7 9.477 9.129 -4.985 1.00 0.00 C ATOM 28 CG GLU A 7 10.573 8.088 -5.156 1.00 0.00 C ATOM 29 CD GLU A 7 11.551 8.439 -6.260 1.00 0.00 C ATOM 30 OE1 GLU A 7 11.185 9.239 -7.146 1.00 0.00 O ATOM 31 OE2 GLU A 7 12.683 7.914 -6.237 1.00 0.00 O ATOM 0 H GLU A 7 12.009 10.227 -4.618 1.00 0.00 H new ATOM 0 HA GLU A 7 9.216 11.199 -4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.660 8.692 -4.411 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.076 9.386 -5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.116 7.981 -4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.119 7.121 -5.373 1.00 0.00 H new ATOM 38 N LYS A 8 9.011 9.606 -2.187 1.00 0.00 N ATOM 39 CA LYS A 8 9.007 9.340 -0.756 1.00 0.00 C ATOM 40 C LYS A 8 9.281 7.867 -0.479 1.00 0.00 C ATOM 41 O LYS A 8 9.117 7.017 -1.354 1.00 0.00 O ATOM 42 CB LYS A 8 7.668 9.746 -0.135 1.00 0.00 C ATOM 43 CG LYS A 8 6.471 9.016 -0.721 1.00 0.00 C ATOM 44 CD LYS A 8 5.306 9.960 -0.972 1.00 0.00 C ATOM 45 CE LYS A 8 3.979 9.219 -0.976 1.00 0.00 C ATOM 46 NZ LYS A 8 2.837 10.126 -1.275 1.00 0.00 N ATOM 0 H LYS A 8 8.161 9.321 -2.674 1.00 0.00 H new ATOM 0 HA LYS A 8 9.800 9.934 -0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.705 9.560 0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.528 10.819 -0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.759 8.536 -1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.158 8.224 -0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.290 10.732 -0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.445 10.465 -1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.012 8.420 -1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.824 8.748 -0.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.204 10.171 -0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.197 11.078 -1.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.311 9.763 -2.096 1.00 0.00 H new ATOM 60 N LYS A 9 9.696 7.574 0.747 1.00 0.00 N ATOM 61 CA LYS A 9 9.989 6.206 1.150 1.00 0.00 C ATOM 62 C LYS A 9 9.014 5.749 2.226 1.00 0.00 C ATOM 63 O LYS A 9 8.688 6.505 3.141 1.00 0.00 O ATOM 64 CB LYS A 9 11.428 6.094 1.658 1.00 0.00 C ATOM 65 CG LYS A 9 11.799 4.699 2.139 1.00 0.00 C ATOM 66 CD LYS A 9 11.982 4.657 3.648 1.00 0.00 C ATOM 67 CE LYS A 9 13.453 4.617 4.031 1.00 0.00 C ATOM 68 NZ LYS A 9 14.101 3.343 3.616 1.00 0.00 N ATOM 0 H LYS A 9 9.837 8.268 1.481 1.00 0.00 H new ATOM 0 HA LYS A 9 9.876 5.559 0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.110 6.387 0.860 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.572 6.801 2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.021 3.994 1.847 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.720 4.378 1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.512 5.532 4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.476 3.780 4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.972 5.456 3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.551 4.739 5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.933 3.166 4.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.426 2.559 3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.398 3.412 2.622 1.00 0.00 H new ATOM 82 N ILE A 10 8.543 4.514 2.106 1.00 0.00 N ATOM 83 CA ILE A 10 7.594 3.967 3.065 1.00 0.00 C ATOM 84 C ILE A 10 7.923 2.513 3.389 1.00 0.00 C ATOM 85 O ILE A 10 8.679 1.863 2.668 1.00 0.00 O ATOM 86 CB ILE A 10 6.140 4.072 2.549 1.00 0.00 C ATOM 87 CG1 ILE A 10 6.063 5.031 1.351 1.00 0.00 C ATOM 88 CG2 ILE A 10 5.222 4.538 3.671 1.00 0.00 C ATOM 89 CD1 ILE A 10 4.656 5.445 0.977 1.00 0.00 C ATOM 0 H ILE A 10 8.803 3.874 1.355 1.00 0.00 H new ATOM 0 HA ILE A 10 7.679 4.561 3.975 1.00 0.00 H new ATOM 0 HB ILE A 10 5.812 3.087 2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.645 5.925 1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.531 4.556 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.200 4.609 3.299 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.260 3.823 4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.548 5.516 4.025 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.691 6.121 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.074 4.561 0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.189 5.951 1.822 1.00 0.00 H new ATOM 101 N ARG A 11 7.362 2.010 4.485 1.00 0.00 N ATOM 102 CA ARG A 11 7.611 0.636 4.908 1.00 0.00 C ATOM 103 C ARG A 11 6.422 -0.264 4.598 1.00 0.00 C ATOM 104 O ARG A 11 5.288 0.204 4.489 1.00 0.00 O ATOM 105 CB ARG A 11 7.918 0.594 6.406 1.00 0.00 C ATOM 106 CG ARG A 11 8.238 -0.799 6.924 1.00 0.00 C ATOM 107 CD ARG A 11 8.451 -0.797 8.429 1.00 0.00 C ATOM 108 NE ARG A 11 9.540 0.092 8.827 1.00 0.00 N ATOM 109 CZ ARG A 11 9.992 0.200 10.075 1.00 0.00 C ATOM 110 NH1 ARG A 11 9.451 -0.522 11.048 1.00 0.00 N ATOM 111 NH2 ARG A 11 10.987 1.032 10.350 1.00 0.00 N ATOM 0 H ARG A 11 6.733 2.532 5.095 1.00 0.00 H new ATOM 0 HA ARG A 11 8.472 0.265 4.351 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.762 1.252 6.614 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.063 0.989 6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.424 -1.478 6.671 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.133 -1.176 6.429 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.531 -0.488 8.925 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.669 -1.811 8.766 1.00 0.00 H new ATOM 0 HE ARG A 11 9.980 0.664 8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.685 -1.163 10.842 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.801 -0.436 12.002 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.406 1.589 9.606 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.333 1.115 11.306 1.00 0.00 H new ATOM 125 N ILE A 12 6.687 -1.560 4.460 1.00 0.00 N ATOM 126 CA ILE A 12 5.639 -2.528 4.167 1.00 0.00 C ATOM 127 C ILE A 12 5.787 -3.771 5.035 1.00 0.00 C ATOM 128 O ILE A 12 6.896 -4.154 5.405 1.00 0.00 O ATOM 129 CB ILE A 12 5.655 -2.966 2.692 1.00 0.00 C ATOM 130 CG1 ILE A 12 5.602 -1.756 1.758 1.00 0.00 C ATOM 131 CG2 ILE A 12 4.491 -3.906 2.421 1.00 0.00 C ATOM 132 CD1 ILE A 12 6.360 -1.965 0.463 1.00 0.00 C ATOM 0 H ILE A 12 7.620 -1.963 4.547 1.00 0.00 H new ATOM 0 HA ILE A 12 4.694 -2.030 4.381 1.00 0.00 H new ATOM 0 HB ILE A 12 6.589 -3.493 2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.561 -1.528 1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.012 -0.888 2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.507 -4.213 1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.578 -4.786 3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.553 -3.394 2.634 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.282 -1.069 -0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.409 -2.164 0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.935 -2.813 -0.074 1.00 0.00 H new ATOM 144 N THR A 13 4.662 -4.405 5.345 1.00 0.00 N ATOM 145 CA THR A 13 4.672 -5.613 6.157 1.00 0.00 C ATOM 146 C THR A 13 3.495 -6.521 5.821 1.00 0.00 C ATOM 147 O THR A 13 2.340 -6.134 5.978 1.00 0.00 O ATOM 148 CB THR A 13 4.646 -5.260 7.638 1.00 0.00 C ATOM 149 OG1 THR A 13 5.242 -3.995 7.867 1.00 0.00 O ATOM 150 CG2 THR A 13 5.371 -6.274 8.486 1.00 0.00 C ATOM 0 H THR A 13 3.735 -4.103 5.047 1.00 0.00 H new ATOM 0 HA THR A 13 5.593 -6.152 5.932 1.00 0.00 H new ATOM 0 HB THR A 13 3.594 -5.247 7.923 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.213 -3.788 8.824 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.322 -5.974 9.533 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.902 -7.251 8.366 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.414 -6.331 8.173 1.00 0.00 H new ATOM 158 N THR A 14 3.792 -7.734 5.364 1.00 0.00 N ATOM 159 CA THR A 14 2.744 -8.686 5.011 1.00 0.00 C ATOM 160 C THR A 14 2.364 -9.558 6.197 1.00 0.00 C ATOM 161 O THR A 14 3.221 -9.971 6.988 1.00 0.00 O ATOM 162 CB THR A 14 3.168 -9.568 3.836 1.00 0.00 C ATOM 163 OG1 THR A 14 3.770 -10.772 4.286 1.00 0.00 O ATOM 164 CG2 THR A 14 4.136 -8.887 2.899 1.00 0.00 C ATOM 0 H THR A 14 4.742 -8.079 5.230 1.00 0.00 H new ATOM 0 HA THR A 14 1.872 -8.103 4.714 1.00 0.00 H new ATOM 0 HB THR A 14 2.247 -9.778 3.293 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.218 -10.613 5.143 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.396 -9.567 2.088 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.673 -7.990 2.487 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.038 -8.611 3.445 1.00 0.00 H new ATOM 172 N ASN A 15 1.069 -9.838 6.291 1.00 0.00 N ATOM 173 CA ASN A 15 0.515 -10.664 7.359 1.00 0.00 C ATOM 174 C ASN A 15 1.294 -11.964 7.520 1.00 0.00 C ATOM 175 O ASN A 15 1.344 -12.533 8.611 1.00 0.00 O ATOM 176 CB ASN A 15 -0.954 -10.976 7.072 1.00 0.00 C ATOM 177 CG ASN A 15 -1.165 -11.525 5.674 1.00 0.00 C ATOM 178 OD1 ASN A 15 -0.250 -11.526 4.851 1.00 0.00 O ATOM 179 ND2 ASN A 15 -2.376 -11.996 5.398 1.00 0.00 N ATOM 0 H ASN A 15 0.372 -9.498 5.628 1.00 0.00 H new ATOM 0 HA ASN A 15 0.595 -10.102 8.290 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.319 -11.698 7.802 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.546 -10.070 7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.576 -12.378 4.474 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.106 -11.976 6.110 1.00 0.00 H new ATOM 186 N ASP A 16 1.901 -12.432 6.435 1.00 0.00 N ATOM 187 CA ASP A 16 2.674 -13.666 6.479 1.00 0.00 C ATOM 188 C ASP A 16 3.806 -13.555 7.496 1.00 0.00 C ATOM 189 O ASP A 16 4.321 -14.564 7.978 1.00 0.00 O ATOM 190 CB ASP A 16 3.232 -14.000 5.094 1.00 0.00 C ATOM 191 CG ASP A 16 2.449 -15.107 4.415 1.00 0.00 C ATOM 192 OD1 ASP A 16 1.214 -14.970 4.287 1.00 0.00 O ATOM 193 OD2 ASP A 16 3.071 -16.113 4.012 1.00 0.00 O ATOM 0 H ASP A 16 1.873 -11.979 5.521 1.00 0.00 H new ATOM 0 HA ASP A 16 2.011 -14.474 6.789 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.211 -13.106 4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.276 -14.299 5.187 1.00 0.00 H new ATOM 198 N GLY A 17 4.184 -12.322 7.821 1.00 0.00 N ATOM 199 CA GLY A 17 5.244 -12.100 8.782 1.00 0.00 C ATOM 200 C GLY A 17 6.502 -11.555 8.143 1.00 0.00 C ATOM 201 O GLY A 17 7.607 -11.807 8.625 1.00 0.00 O ATOM 0 H GLY A 17 3.773 -11.473 7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.897 -11.404 9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.474 -13.038 9.287 1.00 0.00 H new ATOM 205 N ARG A 18 6.343 -10.806 7.055 1.00 0.00 N ATOM 206 CA ARG A 18 7.495 -10.233 6.364 1.00 0.00 C ATOM 207 C ARG A 18 7.299 -8.740 6.113 1.00 0.00 C ATOM 208 O ARG A 18 6.171 -8.252 6.088 1.00 0.00 O ATOM 209 CB ARG A 18 7.749 -10.979 5.050 1.00 0.00 C ATOM 210 CG ARG A 18 6.889 -10.512 3.889 1.00 0.00 C ATOM 211 CD ARG A 18 7.064 -11.409 2.678 1.00 0.00 C ATOM 212 NE ARG A 18 6.639 -12.781 2.939 1.00 0.00 N ATOM 213 CZ ARG A 18 5.406 -13.231 2.723 1.00 0.00 C ATOM 214 NH1 ARG A 18 4.449 -12.406 2.315 1.00 0.00 N ATOM 215 NH2 ARG A 18 5.124 -14.509 2.932 1.00 0.00 N ATOM 0 H ARG A 18 5.440 -10.583 6.637 1.00 0.00 H new ATOM 0 HA ARG A 18 8.370 -10.348 7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.798 -10.865 4.778 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.575 -12.043 5.211 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.841 -10.504 4.190 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.153 -9.488 3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.490 -11.006 1.844 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.111 -11.407 2.375 1.00 0.00 H new ATOM 0 HE ARG A 18 7.329 -13.434 3.309 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.657 -11.419 2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.506 -12.760 2.152 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.852 -15.145 3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.179 -14.856 2.767 1.00 0.00 H new ATOM 229 N GLN A 19 8.403 -8.018 5.933 1.00 0.00 N ATOM 230 CA GLN A 19 8.341 -6.578 5.693 1.00 0.00 C ATOM 231 C GLN A 19 9.432 -6.122 4.731 1.00 0.00 C ATOM 232 O GLN A 19 10.452 -6.790 4.564 1.00 0.00 O ATOM 233 CB GLN A 19 8.465 -5.808 7.011 1.00 0.00 C ATOM 234 CG GLN A 19 9.367 -6.481 8.036 1.00 0.00 C ATOM 235 CD GLN A 19 10.836 -6.375 7.675 1.00 0.00 C ATOM 236 OE1 GLN A 19 11.537 -7.383 7.578 1.00 0.00 O ATOM 237 NE2 GLN A 19 11.309 -5.152 7.474 1.00 0.00 N ATOM 0 H GLN A 19 9.347 -8.404 5.949 1.00 0.00 H new ATOM 0 HA GLN A 19 7.373 -6.366 5.239 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.850 -4.810 6.802 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.472 -5.683 7.442 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.203 -6.027 9.013 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.092 -7.532 8.122 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.692 -4.345 7.565 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.290 -5.019 7.228 1.00 0.00 H new ATOM 246 N SER A 20 9.205 -4.969 4.105 1.00 0.00 N ATOM 247 CA SER A 20 10.159 -4.401 3.163 1.00 0.00 C ATOM 248 C SER A 20 9.846 -2.930 2.902 1.00 0.00 C ATOM 249 O SER A 20 8.687 -2.517 2.941 1.00 0.00 O ATOM 250 CB SER A 20 10.137 -5.180 1.847 1.00 0.00 C ATOM 251 OG SER A 20 10.455 -6.545 2.055 1.00 0.00 O ATOM 0 H SER A 20 8.363 -4.409 4.236 1.00 0.00 H new ATOM 0 HA SER A 20 11.155 -4.474 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.151 -5.099 1.390 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.849 -4.740 1.149 1.00 0.00 H new ATOM 0 HG SER A 20 10.833 -6.660 2.952 1.00 0.00 H new ATOM 257 N MET A 21 10.884 -2.145 2.635 1.00 0.00 N ATOM 258 CA MET A 21 10.715 -0.721 2.368 1.00 0.00 C ATOM 259 C MET A 21 10.615 -0.457 0.873 1.00 0.00 C ATOM 260 O MET A 21 11.015 -1.286 0.055 1.00 0.00 O ATOM 261 CB MET A 21 11.870 0.084 2.981 1.00 0.00 C ATOM 262 CG MET A 21 13.172 0.016 2.192 1.00 0.00 C ATOM 263 SD MET A 21 14.168 -1.428 2.608 1.00 0.00 S ATOM 264 CE MET A 21 13.816 -2.489 1.208 1.00 0.00 C ATOM 0 H MET A 21 11.850 -2.470 2.598 1.00 0.00 H new ATOM 0 HA MET A 21 9.784 -0.398 2.833 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.565 1.127 3.066 1.00 0.00 H new ATOM 0 HB3 MET A 21 12.053 -0.278 3.993 1.00 0.00 H new ATOM 0 HG2 MET A 21 12.945 -0.000 1.126 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.753 0.919 2.380 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.746 -2.916 0.832 1.00 0.00 H new ATOM 0 HE2 MET A 21 13.148 -3.292 1.519 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.340 -1.906 0.420 1.00 0.00 H new ATOM 274 N VAL A 22 10.071 0.699 0.525 1.00 0.00 N ATOM 275 CA VAL A 22 9.906 1.068 -0.869 1.00 0.00 C ATOM 276 C VAL A 22 10.098 2.566 -1.076 1.00 0.00 C ATOM 277 O VAL A 22 10.212 3.328 -0.117 1.00 0.00 O ATOM 278 CB VAL A 22 8.513 0.670 -1.383 1.00 0.00 C ATOM 279 CG1 VAL A 22 8.445 -0.826 -1.647 1.00 0.00 C ATOM 280 CG2 VAL A 22 7.440 1.095 -0.392 1.00 0.00 C ATOM 0 H VAL A 22 9.737 1.397 1.190 1.00 0.00 H new ATOM 0 HA VAL A 22 10.670 0.530 -1.431 1.00 0.00 H new ATOM 0 HB VAL A 22 8.332 1.187 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.451 -1.087 -2.010 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.188 -1.097 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.648 -1.368 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.460 0.806 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.617 0.608 0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.474 2.177 -0.261 1.00 0.00 H new ATOM 290 N THR A 23 10.128 2.976 -2.338 1.00 0.00 N ATOM 291 CA THR A 23 10.300 4.381 -2.686 1.00 0.00 C ATOM 292 C THR A 23 9.057 4.913 -3.391 1.00 0.00 C ATOM 293 O THR A 23 9.146 5.523 -4.454 1.00 0.00 O ATOM 294 CB THR A 23 11.520 4.551 -3.588 1.00 0.00 C ATOM 295 OG1 THR A 23 11.851 5.922 -3.731 1.00 0.00 O ATOM 296 CG2 THR A 23 11.312 3.980 -4.973 1.00 0.00 C ATOM 0 H THR A 23 10.035 2.353 -3.140 1.00 0.00 H new ATOM 0 HA THR A 23 10.451 4.949 -1.768 1.00 0.00 H new ATOM 0 HB THR A 23 12.326 4.003 -3.100 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.636 6.010 -4.311 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.213 4.131 -5.568 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.100 2.913 -4.899 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.473 4.484 -5.452 1.00 0.00 H new ATOM 304 N LEU A 24 7.899 4.668 -2.796 1.00 0.00 N ATOM 305 CA LEU A 24 6.627 5.111 -3.363 1.00 0.00 C ATOM 306 C LEU A 24 6.731 6.526 -3.932 1.00 0.00 C ATOM 307 O LEU A 24 7.262 7.427 -3.287 1.00 0.00 O ATOM 308 CB LEU A 24 5.527 5.052 -2.301 1.00 0.00 C ATOM 309 CG LEU A 24 4.271 4.286 -2.717 1.00 0.00 C ATOM 310 CD1 LEU A 24 4.622 2.861 -3.115 1.00 0.00 C ATOM 311 CD2 LEU A 24 3.248 4.291 -1.591 1.00 0.00 C ATOM 0 H LEU A 24 7.811 4.162 -1.915 1.00 0.00 H new ATOM 0 HA LEU A 24 6.374 4.437 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.935 4.591 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.243 6.070 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 24 3.833 4.785 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.716 2.331 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.319 2.878 -3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.084 2.350 -2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.360 3.742 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.676 3.816 -0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.974 5.319 -1.353 1.00 0.00 H new ATOM 323 N LYS A 25 6.227 6.706 -5.146 1.00 0.00 N ATOM 324 CA LYS A 25 6.262 8.002 -5.811 1.00 0.00 C ATOM 325 C LYS A 25 5.228 8.952 -5.211 1.00 0.00 C ATOM 326 O LYS A 25 4.235 8.516 -4.626 1.00 0.00 O ATOM 327 CB LYS A 25 6.017 7.833 -7.312 1.00 0.00 C ATOM 328 CG LYS A 25 7.212 8.217 -8.170 1.00 0.00 C ATOM 329 CD LYS A 25 7.428 9.723 -8.187 1.00 0.00 C ATOM 330 CE LYS A 25 6.191 10.461 -8.675 1.00 0.00 C ATOM 331 NZ LYS A 25 6.518 11.453 -9.736 1.00 0.00 N ATOM 0 H LYS A 25 5.787 5.966 -5.693 1.00 0.00 H new ATOM 0 HA LYS A 25 7.251 8.436 -5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.754 6.795 -7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.161 8.442 -7.603 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.107 7.725 -7.790 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.060 7.859 -9.188 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.685 10.066 -7.185 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.273 9.963 -8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.468 9.742 -9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.717 10.970 -7.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.648 11.934 -10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.188 12.154 -9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.946 10.964 -10.548 1.00 0.00 H new ATOM 345 N SER A 26 5.469 10.252 -5.358 1.00 0.00 N ATOM 346 CA SER A 26 4.560 11.265 -4.831 1.00 0.00 C ATOM 347 C SER A 26 3.150 11.078 -5.381 1.00 0.00 C ATOM 348 O SER A 26 2.176 11.070 -4.629 1.00 0.00 O ATOM 349 CB SER A 26 5.073 12.665 -5.174 1.00 0.00 C ATOM 350 OG SER A 26 6.242 12.975 -4.436 1.00 0.00 O ATOM 0 H SER A 26 6.286 10.629 -5.838 1.00 0.00 H new ATOM 0 HA SER A 26 4.522 11.152 -3.748 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.286 12.726 -6.241 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.299 13.402 -4.961 1.00 0.00 H new ATOM 0 HG SER A 26 6.551 13.874 -4.675 1.00 0.00 H new ATOM 356 N SER A 27 3.048 10.927 -6.697 1.00 0.00 N ATOM 357 CA SER A 27 1.757 10.738 -7.347 1.00 0.00 C ATOM 358 C SER A 27 1.462 9.255 -7.548 1.00 0.00 C ATOM 359 O SER A 27 0.943 8.849 -8.588 1.00 0.00 O ATOM 360 CB SER A 27 1.728 11.464 -8.693 1.00 0.00 C ATOM 361 OG SER A 27 2.360 12.729 -8.604 1.00 0.00 O ATOM 0 H SER A 27 3.844 10.932 -7.334 1.00 0.00 H new ATOM 0 HA SER A 27 0.987 11.159 -6.700 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.227 10.857 -9.448 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.696 11.592 -9.019 1.00 0.00 H new ATOM 0 HG SER A 27 2.330 13.172 -9.478 1.00 0.00 H new ATOM 367 N THR A 28 1.799 8.449 -6.546 1.00 0.00 N ATOM 368 CA THR A 28 1.574 7.010 -6.609 1.00 0.00 C ATOM 369 C THR A 28 0.186 6.649 -6.090 1.00 0.00 C ATOM 370 O THR A 28 -0.069 6.703 -4.888 1.00 0.00 O ATOM 371 CB THR A 28 2.645 6.273 -5.798 1.00 0.00 C ATOM 372 OG1 THR A 28 3.896 6.323 -6.459 1.00 0.00 O ATOM 373 CG2 THR A 28 2.320 4.814 -5.546 1.00 0.00 C ATOM 0 H THR A 28 2.230 8.770 -5.679 1.00 0.00 H new ATOM 0 HA THR A 28 1.639 6.702 -7.653 1.00 0.00 H new ATOM 0 HB THR A 28 2.679 6.789 -4.838 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.812 5.920 -7.348 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.122 4.357 -4.967 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.385 4.740 -4.991 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.219 4.294 -6.499 1.00 0.00 H new ATOM 381 N THR A 29 -0.702 6.267 -7.000 1.00 0.00 N ATOM 382 CA THR A 29 -2.055 5.882 -6.627 1.00 0.00 C ATOM 383 C THR A 29 -2.072 4.452 -6.098 1.00 0.00 C ATOM 384 O THR A 29 -1.064 3.749 -6.163 1.00 0.00 O ATOM 385 CB THR A 29 -2.996 6.014 -7.827 1.00 0.00 C ATOM 386 OG1 THR A 29 -4.268 5.459 -7.534 1.00 0.00 O ATOM 387 CG2 THR A 29 -2.473 5.334 -9.075 1.00 0.00 C ATOM 0 H THR A 29 -0.509 6.216 -8.000 1.00 0.00 H new ATOM 0 HA THR A 29 -2.401 6.550 -5.838 1.00 0.00 H new ATOM 0 HB THR A 29 -3.069 7.084 -8.019 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.917 5.755 -8.206 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.188 5.465 -9.888 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.517 5.776 -9.357 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.337 4.270 -8.880 1.00 0.00 H new ATOM 395 N PHE A 30 -3.216 4.024 -5.573 1.00 0.00 N ATOM 396 CA PHE A 30 -3.352 2.673 -5.031 1.00 0.00 C ATOM 397 C PHE A 30 -2.770 1.636 -5.989 1.00 0.00 C ATOM 398 O PHE A 30 -2.172 0.648 -5.561 1.00 0.00 O ATOM 399 CB PHE A 30 -4.821 2.354 -4.751 1.00 0.00 C ATOM 400 CG PHE A 30 -5.031 0.992 -4.153 1.00 0.00 C ATOM 401 CD1 PHE A 30 -4.630 0.722 -2.855 1.00 0.00 C ATOM 402 CD2 PHE A 30 -5.627 -0.019 -4.891 1.00 0.00 C ATOM 403 CE1 PHE A 30 -4.819 -0.531 -2.303 1.00 0.00 C ATOM 404 CE2 PHE A 30 -5.818 -1.273 -4.344 1.00 0.00 C ATOM 405 CZ PHE A 30 -5.414 -1.529 -3.048 1.00 0.00 C ATOM 0 H PHE A 30 -4.062 4.591 -5.511 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.794 2.631 -4.096 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.226 3.106 -4.074 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.385 2.425 -5.681 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.164 1.499 -2.268 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.945 0.176 -5.904 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.501 -0.729 -1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.283 -2.053 -4.929 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.563 -2.509 -2.618 1.00 0.00 H new ATOM 415 N PHE A 31 -2.948 1.868 -7.285 1.00 0.00 N ATOM 416 CA PHE A 31 -2.436 0.955 -8.301 1.00 0.00 C ATOM 417 C PHE A 31 -0.912 0.969 -8.319 1.00 0.00 C ATOM 418 O PHE A 31 -0.270 -0.080 -8.284 1.00 0.00 O ATOM 419 CB PHE A 31 -2.977 1.337 -9.679 1.00 0.00 C ATOM 420 CG PHE A 31 -4.474 1.264 -9.778 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.122 0.039 -9.803 1.00 0.00 C ATOM 422 CD2 PHE A 31 -5.234 2.421 -9.847 1.00 0.00 C ATOM 423 CE1 PHE A 31 -6.499 -0.031 -9.894 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.611 2.358 -9.938 1.00 0.00 C ATOM 425 CZ PHE A 31 -7.245 1.131 -9.963 1.00 0.00 C ATOM 0 H PHE A 31 -3.442 2.679 -7.657 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.772 -0.052 -8.054 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.654 2.350 -9.919 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.539 0.677 -10.428 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.544 -0.872 -9.751 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.744 3.383 -9.829 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.992 -0.992 -9.911 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.191 3.267 -9.990 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.321 1.079 -10.036 1.00 0.00 H new ATOM 435 N GLU A 32 -0.338 2.167 -8.371 1.00 0.00 N ATOM 436 CA GLU A 32 1.111 2.319 -8.390 1.00 0.00 C ATOM 437 C GLU A 32 1.731 1.729 -7.127 1.00 0.00 C ATOM 438 O GLU A 32 2.856 1.231 -7.151 1.00 0.00 O ATOM 439 CB GLU A 32 1.489 3.796 -8.521 1.00 0.00 C ATOM 440 CG GLU A 32 1.559 4.281 -9.959 1.00 0.00 C ATOM 441 CD GLU A 32 2.734 5.208 -10.205 1.00 0.00 C ATOM 442 OE1 GLU A 32 3.771 5.043 -9.528 1.00 0.00 O ATOM 443 OE2 GLU A 32 2.617 6.097 -11.074 1.00 0.00 O ATOM 0 H GLU A 32 -0.855 3.046 -8.401 1.00 0.00 H new ATOM 0 HA GLU A 32 1.500 1.778 -9.252 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.760 4.398 -7.978 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.456 3.959 -8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.633 3.422 -10.625 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.633 4.799 -10.209 1.00 0.00 H new ATOM 450 N LEU A 33 0.986 1.785 -6.027 1.00 0.00 N ATOM 451 CA LEU A 33 1.460 1.250 -4.757 1.00 0.00 C ATOM 452 C LEU A 33 1.435 -0.275 -4.775 1.00 0.00 C ATOM 453 O LEU A 33 2.377 -0.927 -4.324 1.00 0.00 O ATOM 454 CB LEU A 33 0.604 1.781 -3.601 1.00 0.00 C ATOM 455 CG LEU A 33 0.777 1.051 -2.265 1.00 0.00 C ATOM 456 CD1 LEU A 33 2.250 0.946 -1.895 1.00 0.00 C ATOM 457 CD2 LEU A 33 0.002 1.762 -1.167 1.00 0.00 C ATOM 0 H LEU A 33 0.053 2.195 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 33 2.489 1.577 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.838 2.835 -3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.445 1.725 -3.893 1.00 0.00 H new ATOM 0 HG LEU A 33 0.379 0.042 -2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.350 0.424 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.781 0.393 -2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.675 1.946 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.136 1.231 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.371 2.782 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.057 1.783 -1.424 1.00 0.00 H new ATOM 469 N GLN A 34 0.354 -0.836 -5.304 1.00 0.00 N ATOM 470 CA GLN A 34 0.207 -2.283 -5.387 1.00 0.00 C ATOM 471 C GLN A 34 1.322 -2.892 -6.231 1.00 0.00 C ATOM 472 O GLN A 34 1.721 -4.037 -6.019 1.00 0.00 O ATOM 473 CB GLN A 34 -1.156 -2.646 -5.982 1.00 0.00 C ATOM 474 CG GLN A 34 -2.328 -2.252 -5.099 1.00 0.00 C ATOM 475 CD GLN A 34 -2.909 -3.430 -4.342 1.00 0.00 C ATOM 476 OE1 GLN A 34 -4.126 -3.611 -4.291 1.00 0.00 O ATOM 477 NE2 GLN A 34 -2.039 -4.239 -3.749 1.00 0.00 N ATOM 0 H GLN A 34 -0.434 -0.310 -5.682 1.00 0.00 H new ATOM 0 HA GLN A 34 0.274 -2.690 -4.378 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.262 -2.159 -6.951 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.191 -3.721 -6.160 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.003 -1.492 -4.388 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.106 -1.801 -5.714 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.039 -4.051 -3.817 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.371 -5.049 -3.225 1.00 0.00 H new ATOM 486 N GLU A 35 1.822 -2.116 -7.188 1.00 0.00 N ATOM 487 CA GLU A 35 2.892 -2.575 -8.065 1.00 0.00 C ATOM 488 C GLU A 35 4.235 -2.568 -7.340 1.00 0.00 C ATOM 489 O GLU A 35 5.134 -3.338 -7.675 1.00 0.00 O ATOM 490 CB GLU A 35 2.969 -1.694 -9.313 1.00 0.00 C ATOM 491 CG GLU A 35 4.019 -2.148 -10.315 1.00 0.00 C ATOM 492 CD GLU A 35 3.488 -2.201 -11.734 1.00 0.00 C ATOM 493 OE1 GLU A 35 3.192 -1.126 -12.298 1.00 0.00 O ATOM 494 OE2 GLU A 35 3.367 -3.317 -12.281 1.00 0.00 O ATOM 0 H GLU A 35 1.502 -1.166 -7.375 1.00 0.00 H new ATOM 0 HA GLU A 35 2.668 -3.599 -8.363 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.994 -1.683 -9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.186 -0.669 -9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.871 -1.469 -10.275 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.384 -3.135 -10.031 1.00 0.00 H new ATOM 501 N SER A 36 4.364 -1.694 -6.344 1.00 0.00 N ATOM 502 CA SER A 36 5.597 -1.592 -5.574 1.00 0.00 C ATOM 503 C SER A 36 5.762 -2.798 -4.656 1.00 0.00 C ATOM 504 O SER A 36 6.800 -3.458 -4.661 1.00 0.00 O ATOM 505 CB SER A 36 5.606 -0.303 -4.751 1.00 0.00 C ATOM 506 OG SER A 36 6.267 0.741 -5.445 1.00 0.00 O ATOM 0 H SER A 36 3.630 -1.048 -6.053 1.00 0.00 H new ATOM 0 HA SER A 36 6.433 -1.571 -6.273 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.582 -0.004 -4.527 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.102 -0.481 -3.797 1.00 0.00 H new ATOM 0 HG SER A 36 6.680 1.353 -4.800 1.00 0.00 H new ATOM 512 N ILE A 37 4.727 -3.081 -3.870 1.00 0.00 N ATOM 513 CA ILE A 37 4.754 -4.212 -2.951 1.00 0.00 C ATOM 514 C ILE A 37 5.028 -5.510 -3.699 1.00 0.00 C ATOM 515 O ILE A 37 5.774 -6.367 -3.227 1.00 0.00 O ATOM 516 CB ILE A 37 3.424 -4.342 -2.183 1.00 0.00 C ATOM 517 CG1 ILE A 37 3.064 -3.017 -1.509 1.00 0.00 C ATOM 518 CG2 ILE A 37 3.508 -5.463 -1.156 1.00 0.00 C ATOM 519 CD1 ILE A 37 1.622 -2.608 -1.716 1.00 0.00 C ATOM 0 H ILE A 37 3.861 -2.543 -3.852 1.00 0.00 H new ATOM 0 HA ILE A 37 5.557 -4.028 -2.237 1.00 0.00 H new ATOM 0 HB ILE A 37 2.636 -4.589 -2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.261 -3.097 -0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.715 -2.233 -1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.560 -5.540 -0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.718 -6.405 -1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.307 -5.247 -0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.437 -1.660 -1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.425 -2.496 -2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.964 -3.373 -1.304 1.00 0.00 H new ATOM 531 N ALA A 38 4.424 -5.645 -4.874 1.00 0.00 N ATOM 532 CA ALA A 38 4.609 -6.833 -5.695 1.00 0.00 C ATOM 533 C ALA A 38 6.085 -7.052 -6.016 1.00 0.00 C ATOM 534 O ALA A 38 6.496 -8.156 -6.371 1.00 0.00 O ATOM 535 CB ALA A 38 3.797 -6.722 -6.977 1.00 0.00 C ATOM 0 H ALA A 38 3.802 -4.945 -5.279 1.00 0.00 H new ATOM 0 HA ALA A 38 4.255 -7.695 -5.130 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.946 -7.617 -7.580 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.740 -6.622 -6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.123 -5.847 -7.540 1.00 0.00 H new ATOM 541 N ARG A 39 6.881 -5.992 -5.886 1.00 0.00 N ATOM 542 CA ARG A 39 8.311 -6.073 -6.158 1.00 0.00 C ATOM 543 C ARG A 39 9.081 -6.423 -4.890 1.00 0.00 C ATOM 544 O ARG A 39 9.861 -7.374 -4.865 1.00 0.00 O ATOM 545 CB ARG A 39 8.824 -4.748 -6.724 1.00 0.00 C ATOM 546 CG ARG A 39 7.855 -4.075 -7.682 1.00 0.00 C ATOM 547 CD ARG A 39 8.583 -3.397 -8.831 1.00 0.00 C ATOM 548 NE ARG A 39 7.958 -3.685 -10.119 1.00 0.00 N ATOM 549 CZ ARG A 39 8.574 -3.546 -11.291 1.00 0.00 C ATOM 550 NH1 ARG A 39 9.831 -3.123 -11.341 1.00 0.00 N ATOM 551 NH2 ARG A 39 7.933 -3.831 -12.416 1.00 0.00 N ATOM 0 H ARG A 39 6.559 -5.069 -5.594 1.00 0.00 H new ATOM 0 HA ARG A 39 8.470 -6.860 -6.895 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.035 -4.068 -5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.767 -4.925 -7.241 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.160 -4.816 -8.078 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.261 -3.338 -7.141 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.596 -2.320 -8.667 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.621 -3.729 -8.849 1.00 0.00 H new ATOM 0 HE ARG A 39 6.992 -4.012 -10.121 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.330 -2.903 -10.479 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.298 -3.018 -12.242 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.967 -4.157 -12.384 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.406 -3.724 -13.313 1.00 0.00 H new ATOM 565 N GLU A 40 8.855 -5.640 -3.841 1.00 0.00 N ATOM 566 CA GLU A 40 9.524 -5.854 -2.565 1.00 0.00 C ATOM 567 C GLU A 40 9.189 -7.225 -1.986 1.00 0.00 C ATOM 568 O GLU A 40 9.970 -7.795 -1.225 1.00 0.00 O ATOM 569 CB GLU A 40 9.131 -4.757 -1.573 1.00 0.00 C ATOM 570 CG GLU A 40 10.191 -3.681 -1.402 1.00 0.00 C ATOM 571 CD GLU A 40 10.666 -3.112 -2.725 1.00 0.00 C ATOM 572 OE1 GLU A 40 9.933 -3.245 -3.727 1.00 0.00 O ATOM 573 OE2 GLU A 40 11.772 -2.532 -2.759 1.00 0.00 O ATOM 0 H GLU A 40 8.211 -4.849 -3.850 1.00 0.00 H new ATOM 0 HA GLU A 40 10.599 -5.814 -2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.204 -4.292 -1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.927 -5.212 -0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.789 -2.875 -0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.042 -4.098 -0.864 1.00 0.00 H new ATOM 580 N PHE A 41 8.021 -7.748 -2.345 1.00 0.00 N ATOM 581 CA PHE A 41 7.587 -9.050 -1.851 1.00 0.00 C ATOM 582 C PHE A 41 7.266 -9.997 -3.005 1.00 0.00 C ATOM 583 O PHE A 41 7.565 -9.703 -4.162 1.00 0.00 O ATOM 584 CB PHE A 41 6.370 -8.885 -0.942 1.00 0.00 C ATOM 585 CG PHE A 41 6.582 -7.872 0.149 1.00 0.00 C ATOM 586 CD1 PHE A 41 6.268 -6.539 -0.055 1.00 0.00 C ATOM 587 CD2 PHE A 41 7.098 -8.255 1.374 1.00 0.00 C ATOM 588 CE1 PHE A 41 6.464 -5.607 0.947 1.00 0.00 C ATOM 589 CE2 PHE A 41 7.298 -7.329 2.380 1.00 0.00 C ATOM 590 CZ PHE A 41 6.979 -6.003 2.166 1.00 0.00 C ATOM 0 H PHE A 41 7.360 -7.292 -2.974 1.00 0.00 H new ATOM 0 HA PHE A 41 8.403 -9.488 -1.276 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.512 -8.587 -1.544 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.126 -9.848 -0.493 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.866 -6.224 -1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.348 -9.291 1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.215 -4.570 0.777 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.703 -7.642 3.331 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.132 -5.276 2.950 1.00 0.00 H new ATOM 600 N ASN A 42 6.665 -11.139 -2.682 1.00 0.00 N ATOM 601 CA ASN A 42 6.318 -12.132 -3.694 1.00 0.00 C ATOM 602 C ASN A 42 4.806 -12.313 -3.807 1.00 0.00 C ATOM 603 O ASN A 42 4.302 -13.436 -3.784 1.00 0.00 O ATOM 604 CB ASN A 42 6.980 -13.472 -3.367 1.00 0.00 C ATOM 605 CG ASN A 42 8.441 -13.509 -3.771 1.00 0.00 C ATOM 606 OD1 ASN A 42 8.842 -14.301 -4.624 1.00 0.00 O ATOM 607 ND2 ASN A 42 9.247 -12.649 -3.158 1.00 0.00 N ATOM 0 H ASN A 42 6.409 -11.399 -1.730 1.00 0.00 H new ATOM 0 HA ASN A 42 6.686 -11.770 -4.654 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.897 -13.664 -2.297 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.444 -14.273 -3.877 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.240 -12.628 -3.389 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.872 -12.010 -2.457 1.00 0.00 H new ATOM 614 N ILE A 43 4.087 -11.203 -3.941 1.00 0.00 N ATOM 615 CA ILE A 43 2.637 -11.247 -4.070 1.00 0.00 C ATOM 616 C ILE A 43 2.161 -10.294 -5.165 1.00 0.00 C ATOM 617 O ILE A 43 2.620 -9.155 -5.250 1.00 0.00 O ATOM 618 CB ILE A 43 1.934 -10.891 -2.746 1.00 0.00 C ATOM 619 CG1 ILE A 43 2.470 -11.762 -1.610 1.00 0.00 C ATOM 620 CG2 ILE A 43 0.427 -11.058 -2.881 1.00 0.00 C ATOM 621 CD1 ILE A 43 3.451 -11.043 -0.713 1.00 0.00 C ATOM 0 H ILE A 43 4.485 -10.264 -3.963 1.00 0.00 H new ATOM 0 HA ILE A 43 2.374 -12.270 -4.337 1.00 0.00 H new ATOM 0 HB ILE A 43 2.144 -9.847 -2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.633 -12.118 -1.009 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.954 -12.642 -2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.053 -10.802 -1.937 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.057 -10.399 -3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.197 -12.092 -3.137 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.791 -11.720 0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.306 -10.711 -1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.964 -10.179 -0.261 1.00 0.00 H new ATOM 633 N PRO A 44 1.235 -10.750 -6.024 1.00 0.00 N ATOM 634 CA PRO A 44 0.705 -9.934 -7.119 1.00 0.00 C ATOM 635 C PRO A 44 -0.184 -8.797 -6.619 1.00 0.00 C ATOM 636 O PRO A 44 -0.608 -8.792 -5.464 1.00 0.00 O ATOM 637 CB PRO A 44 -0.109 -10.930 -7.948 1.00 0.00 C ATOM 638 CG PRO A 44 -0.488 -12.006 -6.990 1.00 0.00 C ATOM 639 CD PRO A 44 0.638 -12.097 -5.994 1.00 0.00 C ATOM 0 HA PRO A 44 1.499 -9.444 -7.682 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.991 -10.457 -8.380 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.478 -11.327 -8.776 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.429 -11.771 -6.493 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.629 -12.955 -7.507 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.274 -12.352 -4.999 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.361 -12.863 -6.275 1.00 0.00 H new ATOM 647 N PRO A 45 -0.474 -7.812 -7.487 1.00 0.00 N ATOM 648 CA PRO A 45 -1.311 -6.662 -7.128 1.00 0.00 C ATOM 649 C PRO A 45 -2.748 -7.058 -6.797 1.00 0.00 C ATOM 650 O PRO A 45 -3.460 -6.322 -6.114 1.00 0.00 O ATOM 651 CB PRO A 45 -1.276 -5.782 -8.382 1.00 0.00 C ATOM 652 CG PRO A 45 -0.909 -6.708 -9.491 1.00 0.00 C ATOM 653 CD PRO A 45 -0.005 -7.739 -8.882 1.00 0.00 C ATOM 0 HA PRO A 45 -0.942 -6.165 -6.231 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.243 -5.313 -8.563 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.546 -4.979 -8.280 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.796 -7.172 -9.922 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.405 -6.173 -10.296 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.092 -8.701 -9.388 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.042 -7.442 -8.940 1.00 0.00 H new ATOM 661 N TYR A 46 -3.172 -8.221 -7.284 1.00 0.00 N ATOM 662 CA TYR A 46 -4.529 -8.697 -7.033 1.00 0.00 C ATOM 663 C TYR A 46 -4.587 -9.608 -5.806 1.00 0.00 C ATOM 664 O TYR A 46 -5.608 -10.246 -5.546 1.00 0.00 O ATOM 665 CB TYR A 46 -5.074 -9.432 -8.259 1.00 0.00 C ATOM 666 CG TYR A 46 -4.342 -10.715 -8.580 1.00 0.00 C ATOM 667 CD1 TYR A 46 -3.205 -10.708 -9.379 1.00 0.00 C ATOM 668 CD2 TYR A 46 -4.787 -11.935 -8.086 1.00 0.00 C ATOM 669 CE1 TYR A 46 -2.533 -11.878 -9.676 1.00 0.00 C ATOM 670 CE2 TYR A 46 -4.121 -13.110 -8.379 1.00 0.00 C ATOM 671 CZ TYR A 46 -2.996 -13.076 -9.174 1.00 0.00 C ATOM 672 OH TYR A 46 -2.330 -14.244 -9.468 1.00 0.00 O ATOM 0 H TYR A 46 -2.600 -8.847 -7.851 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.152 -7.825 -6.834 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.128 -9.658 -8.096 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.020 -8.769 -9.122 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.840 -9.772 -9.775 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.668 -11.966 -7.462 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.650 -11.854 -10.298 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.480 -14.050 -7.987 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.785 -14.997 -9.036 1.00 0.00 H new ATOM 682 N LEU A 47 -3.492 -9.663 -5.050 1.00 0.00 N ATOM 683 CA LEU A 47 -3.434 -10.495 -3.850 1.00 0.00 C ATOM 684 C LEU A 47 -2.804 -9.743 -2.678 1.00 0.00 C ATOM 685 O LEU A 47 -2.590 -10.316 -1.611 1.00 0.00 O ATOM 686 CB LEU A 47 -2.638 -11.772 -4.125 1.00 0.00 C ATOM 687 CG LEU A 47 -3.322 -12.774 -5.055 1.00 0.00 C ATOM 688 CD1 LEU A 47 -2.433 -13.991 -5.276 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.670 -13.191 -4.486 1.00 0.00 C ATOM 0 H LEU A 47 -2.636 -9.144 -5.246 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.458 -10.755 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.676 -11.496 -4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.431 -12.264 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.489 -12.293 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.936 -14.693 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.491 -13.677 -5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.234 -14.475 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.144 -13.905 -5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.525 -13.654 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.307 -12.313 -4.380 1.00 0.00 H new ATOM 701 N GLN A 48 -2.503 -8.460 -2.877 1.00 0.00 N ATOM 702 CA GLN A 48 -1.896 -7.654 -1.827 1.00 0.00 C ATOM 703 C GLN A 48 -2.880 -6.627 -1.279 1.00 0.00 C ATOM 704 O GLN A 48 -3.251 -5.677 -1.969 1.00 0.00 O ATOM 705 CB GLN A 48 -0.650 -6.946 -2.360 1.00 0.00 C ATOM 706 CG GLN A 48 0.473 -7.897 -2.739 1.00 0.00 C ATOM 707 CD GLN A 48 1.607 -7.205 -3.471 1.00 0.00 C ATOM 708 OE1 GLN A 48 2.774 -7.355 -3.111 1.00 0.00 O ATOM 709 NE2 GLN A 48 1.270 -6.444 -4.506 1.00 0.00 N ATOM 0 H GLN A 48 -2.670 -7.962 -3.751 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.613 -8.322 -1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.924 -6.354 -3.233 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.286 -6.250 -1.604 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.863 -8.369 -1.837 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.073 -8.693 -3.368 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.290 -6.347 -4.770 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.992 -5.956 -5.037 1.00 0.00 H new ATOM 718 N CYS A 49 -3.287 -6.819 -0.030 1.00 0.00 N ATOM 719 CA CYS A 49 -4.214 -5.902 0.621 1.00 0.00 C ATOM 720 C CYS A 49 -3.461 -5.010 1.600 1.00 0.00 C ATOM 721 O CYS A 49 -3.061 -5.456 2.676 1.00 0.00 O ATOM 722 CB CYS A 49 -5.315 -6.681 1.344 1.00 0.00 C ATOM 723 SG CYS A 49 -6.479 -5.644 2.261 1.00 0.00 S ATOM 0 H CYS A 49 -2.989 -7.602 0.552 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.681 -5.274 -0.138 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.869 -7.269 0.612 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.852 -7.386 2.035 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.371 -6.396 2.834 1.00 0.00 H new ATOM 729 N ILE A 50 -3.254 -3.755 1.208 1.00 0.00 N ATOM 730 CA ILE A 50 -2.530 -2.797 2.037 1.00 0.00 C ATOM 731 C ILE A 50 -3.389 -2.267 3.179 1.00 0.00 C ATOM 732 O ILE A 50 -4.613 -2.196 3.072 1.00 0.00 O ATOM 733 CB ILE A 50 -2.027 -1.605 1.198 1.00 0.00 C ATOM 734 CG1 ILE A 50 -1.271 -2.099 -0.037 1.00 0.00 C ATOM 735 CG2 ILE A 50 -1.140 -0.698 2.040 1.00 0.00 C ATOM 736 CD1 ILE A 50 -1.587 -1.315 -1.292 1.00 0.00 C ATOM 0 H ILE A 50 -3.579 -3.378 0.318 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.680 -3.335 2.457 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.890 -1.029 0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.200 -2.044 0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.511 -3.149 -0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.794 0.138 1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.709 -0.319 2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.281 -1.263 2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.016 -1.720 -2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.652 -1.391 -1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.321 -0.268 -1.144 1.00 0.00 H new ATOM 748 N ARG A 51 -2.729 -1.889 4.269 1.00 0.00 N ATOM 749 CA ARG A 51 -3.410 -1.353 5.438 1.00 0.00 C ATOM 750 C ARG A 51 -2.582 -0.245 6.077 1.00 0.00 C ATOM 751 O ARG A 51 -1.355 -0.329 6.132 1.00 0.00 O ATOM 752 CB ARG A 51 -3.672 -2.463 6.454 1.00 0.00 C ATOM 753 CG ARG A 51 -4.483 -3.619 5.894 1.00 0.00 C ATOM 754 CD ARG A 51 -5.073 -4.469 7.005 1.00 0.00 C ATOM 755 NE ARG A 51 -5.795 -5.628 6.486 1.00 0.00 N ATOM 756 CZ ARG A 51 -7.039 -5.576 6.015 1.00 0.00 C ATOM 757 NH1 ARG A 51 -7.701 -4.425 5.992 1.00 0.00 N ATOM 758 NH2 ARG A 51 -7.623 -6.678 5.564 1.00 0.00 N ATOM 0 H ARG A 51 -1.715 -1.946 4.365 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.365 -0.935 5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.718 -2.843 6.819 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.197 -2.043 7.312 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.284 -3.232 5.265 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.849 -4.237 5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.274 -4.806 7.666 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.749 -3.861 7.606 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.318 -6.530 6.484 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.256 -3.574 6.336 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.654 -4.392 5.630 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.119 -7.565 5.578 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.576 -6.639 5.203 1.00 0.00 H new ATOM 772 N TYR A 52 -3.256 0.795 6.557 1.00 0.00 N ATOM 773 CA TYR A 52 -2.573 1.919 7.186 1.00 0.00 C ATOM 774 C TYR A 52 -3.390 2.477 8.348 1.00 0.00 C ATOM 775 O TYR A 52 -4.596 2.251 8.438 1.00 0.00 O ATOM 776 CB TYR A 52 -2.309 3.019 6.157 1.00 0.00 C ATOM 777 CG TYR A 52 -3.568 3.644 5.599 1.00 0.00 C ATOM 778 CD1 TYR A 52 -4.470 2.891 4.857 1.00 0.00 C ATOM 779 CD2 TYR A 52 -3.856 4.986 5.816 1.00 0.00 C ATOM 780 CE1 TYR A 52 -5.622 3.458 4.346 1.00 0.00 C ATOM 781 CE2 TYR A 52 -5.006 5.560 5.309 1.00 0.00 C ATOM 782 CZ TYR A 52 -5.886 4.792 4.576 1.00 0.00 C ATOM 783 OH TYR A 52 -7.031 5.360 4.068 1.00 0.00 O ATOM 0 H TYR A 52 -4.272 0.883 6.523 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.622 1.560 7.578 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.701 3.797 6.618 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.725 2.603 5.336 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.267 1.846 4.677 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.170 5.590 6.390 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.312 2.860 3.770 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.215 6.605 5.486 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.067 6.306 4.321 1.00 0.00 H new ATOM 793 N GLY A 53 -2.722 3.212 9.232 1.00 0.00 N ATOM 794 CA GLY A 53 -3.400 3.796 10.375 1.00 0.00 C ATOM 795 C GLY A 53 -3.737 2.771 11.440 1.00 0.00 C ATOM 796 O GLY A 53 -3.788 1.573 11.165 1.00 0.00 O ATOM 0 H GLY A 53 -1.724 3.413 9.177 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.769 4.572 10.809 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.317 4.281 10.040 1.00 0.00 H new ATOM 800 N PHE A 54 -3.971 3.247 12.660 1.00 0.00 N ATOM 801 CA PHE A 54 -4.309 2.367 13.774 1.00 0.00 C ATOM 802 C PHE A 54 -5.735 2.638 14.262 1.00 0.00 C ATOM 803 O PHE A 54 -6.042 3.746 14.700 1.00 0.00 O ATOM 804 CB PHE A 54 -3.319 2.568 14.924 1.00 0.00 C ATOM 805 CG PHE A 54 -2.801 1.281 15.501 1.00 0.00 C ATOM 806 CD1 PHE A 54 -1.754 0.608 14.895 1.00 0.00 C ATOM 807 CD2 PHE A 54 -3.364 0.746 16.649 1.00 0.00 C ATOM 808 CE1 PHE A 54 -1.275 -0.577 15.423 1.00 0.00 C ATOM 809 CE2 PHE A 54 -2.890 -0.438 17.181 1.00 0.00 C ATOM 810 CZ PHE A 54 -1.843 -1.101 16.568 1.00 0.00 C ATOM 0 H PHE A 54 -3.933 4.237 12.902 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.249 1.335 13.427 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.477 3.162 14.569 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.804 3.142 15.714 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.306 1.013 14.000 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.182 1.260 17.133 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.458 -1.092 14.941 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.337 -0.845 18.076 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.470 -2.026 16.983 1.00 0.00 H new ATOM 820 N PRO A 55 -6.632 1.633 14.194 1.00 0.00 N ATOM 821 CA PRO A 55 -6.321 0.291 13.680 1.00 0.00 C ATOM 822 C PRO A 55 -6.012 0.300 12.185 1.00 0.00 C ATOM 823 O PRO A 55 -6.235 1.300 11.502 1.00 0.00 O ATOM 824 CB PRO A 55 -7.598 -0.517 13.955 1.00 0.00 C ATOM 825 CG PRO A 55 -8.392 0.307 14.912 1.00 0.00 C ATOM 826 CD PRO A 55 -8.033 1.734 14.623 1.00 0.00 C ATOM 0 HA PRO A 55 -5.433 -0.124 14.156 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.155 -0.696 13.035 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.361 -1.493 14.379 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.461 0.139 14.779 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.154 0.046 15.943 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.665 2.161 13.845 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.142 2.366 15.505 1.00 0.00 H new ATOM 834 N PRO A 56 -5.495 -0.822 11.655 1.00 0.00 N ATOM 835 CA PRO A 56 -5.155 -0.944 10.236 1.00 0.00 C ATOM 836 C PRO A 56 -6.390 -0.932 9.345 1.00 0.00 C ATOM 837 O PRO A 56 -7.294 -1.751 9.502 1.00 0.00 O ATOM 838 CB PRO A 56 -4.446 -2.297 10.149 1.00 0.00 C ATOM 839 CG PRO A 56 -4.953 -3.068 11.317 1.00 0.00 C ATOM 840 CD PRO A 56 -5.203 -2.058 12.401 1.00 0.00 C ATOM 0 HA PRO A 56 -4.545 -0.109 9.892 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.674 -2.804 9.211 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.363 -2.180 10.192 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.868 -3.604 11.064 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.226 -3.814 11.638 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.038 -2.350 13.037 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.334 -1.941 13.049 1.00 0.00 H new ATOM 848 N LYS A 57 -6.416 0.007 8.408 1.00 0.00 N ATOM 849 CA LYS A 57 -7.534 0.138 7.482 1.00 0.00 C ATOM 850 C LYS A 57 -7.317 -0.723 6.244 1.00 0.00 C ATOM 851 O LYS A 57 -6.272 -1.353 6.090 1.00 0.00 O ATOM 852 CB LYS A 57 -7.713 1.598 7.067 1.00 0.00 C ATOM 853 CG LYS A 57 -8.211 2.495 8.188 1.00 0.00 C ATOM 854 CD LYS A 57 -8.360 3.936 7.725 1.00 0.00 C ATOM 855 CE LYS A 57 -9.666 4.545 8.212 1.00 0.00 C ATOM 856 NZ LYS A 57 -9.552 6.017 8.409 1.00 0.00 N ATOM 0 H LYS A 57 -5.673 0.692 8.269 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.435 -0.203 7.992 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.760 1.982 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.416 1.647 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.171 2.127 8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.516 2.451 9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.522 4.527 8.094 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.322 3.975 6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.456 4.335 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.958 4.074 9.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.462 6.394 8.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.816 6.217 9.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.298 6.469 7.508 1.00 0.00 H new ATOM 870 N GLU A 58 -8.311 -0.744 5.364 1.00 0.00 N ATOM 871 CA GLU A 58 -8.227 -1.523 4.136 1.00 0.00 C ATOM 872 C GLU A 58 -8.206 -0.607 2.916 1.00 0.00 C ATOM 873 O GLU A 58 -9.192 -0.511 2.187 1.00 0.00 O ATOM 874 CB GLU A 58 -9.403 -2.496 4.041 1.00 0.00 C ATOM 875 CG GLU A 58 -9.096 -3.738 3.220 1.00 0.00 C ATOM 876 CD GLU A 58 -10.280 -4.681 3.126 1.00 0.00 C ATOM 877 OE1 GLU A 58 -11.046 -4.772 4.108 1.00 0.00 O ATOM 878 OE2 GLU A 58 -10.440 -5.328 2.070 1.00 0.00 O ATOM 0 H GLU A 58 -9.185 -0.230 5.479 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.298 -2.093 4.157 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.697 -2.798 5.046 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.256 -1.981 3.601 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.793 -3.440 2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.251 -4.264 3.665 1.00 0.00 H new ATOM 885 N LEU A 59 -7.072 0.065 2.711 1.00 0.00 N ATOM 886 CA LEU A 59 -6.891 0.986 1.588 1.00 0.00 C ATOM 887 C LEU A 59 -7.502 0.432 0.304 1.00 0.00 C ATOM 888 O LEU A 59 -6.829 -0.231 -0.485 1.00 0.00 O ATOM 889 CB LEU A 59 -5.400 1.267 1.376 1.00 0.00 C ATOM 890 CG LEU A 59 -5.079 2.442 0.448 1.00 0.00 C ATOM 891 CD1 LEU A 59 -5.904 3.665 0.819 1.00 0.00 C ATOM 892 CD2 LEU A 59 -3.593 2.767 0.500 1.00 0.00 C ATOM 0 H LEU A 59 -6.255 -0.014 3.317 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.407 1.915 1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.942 1.457 2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.932 0.369 0.973 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.338 2.154 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.659 4.487 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.964 3.429 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.680 3.957 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.380 3.604 -0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.314 3.033 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.019 1.897 0.182 1.00 0.00 H new ATOM 904 N MET A 60 -8.784 0.708 0.110 1.00 0.00 N ATOM 905 CA MET A 60 -9.503 0.242 -1.070 1.00 0.00 C ATOM 906 C MET A 60 -9.011 0.950 -2.329 1.00 0.00 C ATOM 907 O MET A 60 -8.481 2.060 -2.261 1.00 0.00 O ATOM 908 CB MET A 60 -11.006 0.472 -0.898 1.00 0.00 C ATOM 909 CG MET A 60 -11.385 1.939 -0.781 1.00 0.00 C ATOM 910 SD MET A 60 -13.127 2.178 -0.380 1.00 0.00 S ATOM 911 CE MET A 60 -13.254 3.962 -0.476 1.00 0.00 C ATOM 0 H MET A 60 -9.351 1.255 0.758 1.00 0.00 H new ATOM 0 HA MET A 60 -9.312 -0.826 -1.180 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.532 0.036 -1.747 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.347 -0.055 -0.007 1.00 0.00 H new ATOM 0 HG2 MET A 60 -10.772 2.408 -0.012 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.160 2.444 -1.720 1.00 0.00 H new ATOM 0 HE1 MET A 60 -14.276 4.267 -0.252 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.574 4.415 0.246 1.00 0.00 H new ATOM 0 HE3 MET A 60 -12.989 4.292 -1.480 1.00 0.00 H new ATOM 921 N PRO A 61 -9.180 0.313 -3.500 1.00 0.00 N ATOM 922 CA PRO A 61 -8.750 0.884 -4.778 1.00 0.00 C ATOM 923 C PRO A 61 -9.685 1.987 -5.266 1.00 0.00 C ATOM 924 O PRO A 61 -10.903 1.889 -5.119 1.00 0.00 O ATOM 925 CB PRO A 61 -8.796 -0.313 -5.727 1.00 0.00 C ATOM 926 CG PRO A 61 -9.854 -1.198 -5.163 1.00 0.00 C ATOM 927 CD PRO A 61 -9.801 -1.015 -3.668 1.00 0.00 C ATOM 0 HA PRO A 61 -7.770 1.355 -4.707 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.038 -0.004 -6.744 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.833 -0.823 -5.769 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.835 -0.929 -5.554 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.677 -2.239 -5.434 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.796 -1.051 -3.225 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.211 -1.797 -3.190 1.00 0.00 H new ATOM 935 N PRO A 62 -9.124 3.055 -5.856 1.00 0.00 N ATOM 936 CA PRO A 62 -9.913 4.179 -6.367 1.00 0.00 C ATOM 937 C PRO A 62 -10.738 3.798 -7.590 1.00 0.00 C ATOM 938 O PRO A 62 -10.825 2.627 -7.954 1.00 0.00 O ATOM 939 CB PRO A 62 -8.857 5.219 -6.742 1.00 0.00 C ATOM 940 CG PRO A 62 -7.618 4.434 -6.999 1.00 0.00 C ATOM 941 CD PRO A 62 -7.677 3.252 -6.073 1.00 0.00 C ATOM 0 HA PRO A 62 -10.636 4.533 -5.632 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.156 5.785 -7.624 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.708 5.939 -5.937 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.569 4.113 -8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.729 5.035 -6.808 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.214 2.371 -6.517 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.154 3.449 -5.137 1.00 0.00 H new ATOM 949 N GLN A 63 -11.342 4.800 -8.220 1.00 0.00 N ATOM 950 CA GLN A 63 -12.159 4.574 -9.405 1.00 0.00 C ATOM 951 C GLN A 63 -11.886 5.639 -10.464 1.00 0.00 C ATOM 952 O GLN A 63 -10.915 6.390 -10.365 1.00 0.00 O ATOM 953 CB GLN A 63 -13.644 4.569 -9.031 1.00 0.00 C ATOM 954 CG GLN A 63 -14.320 3.225 -9.247 1.00 0.00 C ATOM 955 CD GLN A 63 -15.646 3.116 -8.520 1.00 0.00 C ATOM 956 OE1 GLN A 63 -16.711 3.230 -9.126 1.00 0.00 O ATOM 957 NE2 GLN A 63 -15.586 2.892 -7.212 1.00 0.00 N ATOM 0 H GLN A 63 -11.281 5.776 -7.929 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.896 3.602 -9.821 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.748 4.855 -7.984 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.161 5.326 -9.621 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.481 3.071 -10.314 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -13.657 2.430 -8.907 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -14.681 2.804 -6.751 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.445 2.808 -6.669 1.00 0.00 H new ATOM 966 N ALA A 64 -12.746 5.698 -11.476 1.00 0.00 N ATOM 967 CA ALA A 64 -12.595 6.671 -12.552 1.00 0.00 C ATOM 968 C ALA A 64 -12.551 8.095 -12.006 1.00 0.00 C ATOM 969 O ALA A 64 -13.559 8.621 -11.534 1.00 0.00 O ATOM 970 CB ALA A 64 -13.728 6.524 -13.557 1.00 0.00 C ATOM 0 H ALA A 64 -13.554 5.084 -11.573 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.648 6.475 -13.055 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.604 7.256 -14.355 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.711 5.520 -13.980 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.682 6.691 -13.057 1.00 0.00 H new ATOM 976 N GLY A 65 -11.377 8.712 -12.074 1.00 0.00 N ATOM 977 CA GLY A 65 -11.221 10.070 -11.584 1.00 0.00 C ATOM 978 C GLY A 65 -10.331 10.144 -10.359 1.00 0.00 C ATOM 979 O GLY A 65 -9.601 11.118 -10.173 1.00 0.00 O ATOM 0 H GLY A 65 -10.529 8.296 -12.460 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.800 10.692 -12.374 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.201 10.481 -11.343 1.00 0.00 H new ATOM 983 N MET A 66 -10.394 9.114 -9.522 1.00 0.00 N ATOM 984 CA MET A 66 -9.588 9.065 -8.306 1.00 0.00 C ATOM 985 C MET A 66 -8.329 8.228 -8.516 1.00 0.00 C ATOM 986 O MET A 66 -7.352 8.366 -7.779 1.00 0.00 O ATOM 987 CB MET A 66 -10.408 8.493 -7.150 1.00 0.00 C ATOM 988 CG MET A 66 -11.410 9.478 -6.567 1.00 0.00 C ATOM 989 SD MET A 66 -11.184 9.741 -4.797 1.00 0.00 S ATOM 990 CE MET A 66 -12.027 8.307 -4.131 1.00 0.00 C ATOM 0 H MET A 66 -10.995 8.302 -9.663 1.00 0.00 H new ATOM 0 HA MET A 66 -9.286 10.083 -8.061 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.941 7.608 -7.497 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.730 8.168 -6.361 1.00 0.00 H new ATOM 0 HG2 MET A 66 -11.318 10.432 -7.086 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.420 9.112 -6.749 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.974 8.327 -3.042 1.00 0.00 H new ATOM 0 HE2 MET A 66 -13.071 8.321 -4.444 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.549 7.400 -4.501 1.00 0.00 H new ATOM 1000 N GLU A 67 -8.357 7.358 -9.524 1.00 0.00 N ATOM 1001 CA GLU A 67 -7.216 6.498 -9.828 1.00 0.00 C ATOM 1002 C GLU A 67 -5.931 7.312 -9.956 1.00 0.00 C ATOM 1003 O GLU A 67 -4.839 6.814 -9.687 1.00 0.00 O ATOM 1004 CB GLU A 67 -7.470 5.721 -11.121 1.00 0.00 C ATOM 1005 CG GLU A 67 -7.580 6.605 -12.351 1.00 0.00 C ATOM 1006 CD GLU A 67 -7.779 5.809 -13.627 1.00 0.00 C ATOM 1007 OE1 GLU A 67 -8.359 4.706 -13.552 1.00 0.00 O ATOM 1008 OE2 GLU A 67 -7.354 6.289 -14.698 1.00 0.00 O ATOM 0 H GLU A 67 -9.157 7.230 -10.144 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.096 5.796 -9.003 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.661 5.005 -11.270 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.389 5.145 -11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.414 7.295 -12.224 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.677 7.209 -12.441 1.00 0.00 H new ATOM 1015 N LYS A 68 -6.071 8.568 -10.370 1.00 0.00 N ATOM 1016 CA LYS A 68 -4.921 9.452 -10.533 1.00 0.00 C ATOM 1017 C LYS A 68 -4.424 9.961 -9.182 1.00 0.00 C ATOM 1018 O LYS A 68 -3.266 10.354 -9.044 1.00 0.00 O ATOM 1019 CB LYS A 68 -5.282 10.633 -11.435 1.00 0.00 C ATOM 1020 CG LYS A 68 -6.588 11.312 -11.055 1.00 0.00 C ATOM 1021 CD LYS A 68 -6.669 12.720 -11.623 1.00 0.00 C ATOM 1022 CE LYS A 68 -7.986 13.389 -11.265 1.00 0.00 C ATOM 1023 NZ LYS A 68 -9.046 13.105 -12.271 1.00 0.00 N ATOM 0 H LYS A 68 -6.968 8.996 -10.598 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.120 8.879 -10.999 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.477 11.367 -11.399 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.350 10.285 -12.466 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.427 10.721 -11.423 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.677 11.351 -9.969 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.841 13.316 -11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.561 12.683 -12.707 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.314 13.043 -10.285 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.837 14.466 -11.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.519 13.992 -12.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.617 12.675 -13.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.743 12.449 -11.865 1.00 0.00 H new ATOM 1037 N GLU A 69 -5.307 9.954 -8.187 1.00 0.00 N ATOM 1038 CA GLU A 69 -4.956 10.416 -6.850 1.00 0.00 C ATOM 1039 C GLU A 69 -3.915 9.498 -6.211 1.00 0.00 C ATOM 1040 O GLU A 69 -3.971 8.278 -6.374 1.00 0.00 O ATOM 1041 CB GLU A 69 -6.205 10.486 -5.968 1.00 0.00 C ATOM 1042 CG GLU A 69 -6.345 11.798 -5.213 1.00 0.00 C ATOM 1043 CD GLU A 69 -5.967 11.672 -3.750 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -6.168 10.580 -3.177 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -5.470 12.664 -3.178 1.00 0.00 O ATOM 0 H GLU A 69 -6.271 9.633 -8.283 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.526 11.414 -6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.088 10.339 -6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.180 9.665 -5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.715 12.553 -5.684 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.374 12.149 -5.290 1.00 0.00 H new ATOM 1052 N PRO A 70 -2.946 10.072 -5.477 1.00 0.00 N ATOM 1053 CA PRO A 70 -1.892 9.295 -4.820 1.00 0.00 C ATOM 1054 C PRO A 70 -2.384 8.584 -3.564 1.00 0.00 C ATOM 1055 O PRO A 70 -3.478 8.855 -3.070 1.00 0.00 O ATOM 1056 CB PRO A 70 -0.853 10.356 -4.458 1.00 0.00 C ATOM 1057 CG PRO A 70 -1.643 11.605 -4.271 1.00 0.00 C ATOM 1058 CD PRO A 70 -2.799 11.520 -5.232 1.00 0.00 C ATOM 0 HA PRO A 70 -1.512 8.500 -5.462 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.313 10.089 -3.550 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.111 10.470 -5.248 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.997 11.691 -3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.033 12.485 -4.473 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.706 11.948 -4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.593 12.063 -6.154 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.564 7.670 -3.057 1.00 0.00 N ATOM 1067 CA VAL A 71 -1.904 6.911 -1.860 1.00 0.00 C ATOM 1068 C VAL A 71 -1.977 7.817 -0.632 1.00 0.00 C ATOM 1069 O VAL A 71 -1.463 8.936 -0.646 1.00 0.00 O ATOM 1070 CB VAL A 71 -0.884 5.784 -1.599 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -1.161 4.594 -2.508 1.00 0.00 C ATOM 1072 CG2 VAL A 71 0.539 6.289 -1.785 1.00 0.00 C ATOM 0 H VAL A 71 -0.656 7.436 -3.458 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.884 6.468 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.991 5.457 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.432 3.808 -2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.165 4.215 -2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.085 4.906 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.241 5.477 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.667 6.649 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.730 7.104 -1.087 1.00 0.00 H new ATOM 1082 N PRO A 72 -2.623 7.344 0.449 1.00 0.00 N ATOM 1083 CA PRO A 72 -2.767 8.115 1.692 1.00 0.00 C ATOM 1084 C PRO A 72 -1.506 8.096 2.553 1.00 0.00 C ATOM 1085 O PRO A 72 -1.499 8.618 3.667 1.00 0.00 O ATOM 1086 CB PRO A 72 -3.895 7.379 2.409 1.00 0.00 C ATOM 1087 CG PRO A 72 -3.725 5.963 1.985 1.00 0.00 C ATOM 1088 CD PRO A 72 -3.272 6.020 0.551 1.00 0.00 C ATOM 0 HA PRO A 72 -2.958 9.170 1.497 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.816 7.484 3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.872 7.768 2.121 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.990 5.453 2.608 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.660 5.411 2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.578 5.213 0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.111 5.929 -0.139 1.00 0.00 H new ATOM 1096 N LEU A 73 -0.451 7.476 2.040 1.00 0.00 N ATOM 1097 CA LEU A 73 0.805 7.370 2.771 1.00 0.00 C ATOM 1098 C LEU A 73 1.829 8.375 2.253 1.00 0.00 C ATOM 1099 O LEU A 73 1.785 8.779 1.092 1.00 0.00 O ATOM 1100 CB LEU A 73 1.349 5.944 2.656 1.00 0.00 C ATOM 1101 CG LEU A 73 0.278 4.866 2.448 1.00 0.00 C ATOM 1102 CD1 LEU A 73 0.905 3.567 1.973 1.00 0.00 C ATOM 1103 CD2 LEU A 73 -0.511 4.645 3.731 1.00 0.00 C ATOM 0 H LEU A 73 -0.440 7.038 1.119 1.00 0.00 H new ATOM 0 HA LEU A 73 0.616 7.599 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.052 5.904 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.911 5.710 3.560 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.410 5.211 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.126 2.817 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.421 3.736 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.618 3.214 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.267 3.877 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.165 4.324 4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.997 5.575 4.024 1.00 0.00 H new ATOM 1115 N GLN A 74 2.749 8.779 3.126 1.00 0.00 N ATOM 1116 CA GLN A 74 3.780 9.743 2.759 1.00 0.00 C ATOM 1117 C GLN A 74 5.160 9.280 3.210 1.00 0.00 C ATOM 1118 O GLN A 74 5.309 8.209 3.800 1.00 0.00 O ATOM 1119 CB GLN A 74 3.469 11.110 3.370 1.00 0.00 C ATOM 1120 CG GLN A 74 2.169 11.719 2.870 1.00 0.00 C ATOM 1121 CD GLN A 74 2.197 12.015 1.383 1.00 0.00 C ATOM 1122 OE1 GLN A 74 1.192 11.528 0.664 1.00 0.00 O flip ATOM 1123 NE2 GLN A 74 3.112 12.672 0.886 1.00 0.00 N flip ATOM 0 H GLN A 74 2.800 8.453 4.091 1.00 0.00 H new ATOM 0 HA GLN A 74 3.785 9.824 1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.421 11.011 4.454 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.289 11.793 3.148 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.346 11.037 3.085 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.970 12.641 3.416 1.00 0.00 H new ATOM 0 HE21 GLN A 74 3.864 13.027 1.476 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.118 12.862 -0.116 1.00 0.00 H new ATOM 1132 N HIS A 75 6.168 10.096 2.923 1.00 0.00 N ATOM 1133 CA HIS A 75 7.543 9.783 3.290 1.00 0.00 C ATOM 1134 C HIS A 75 7.677 9.552 4.792 1.00 0.00 C ATOM 1135 O HIS A 75 7.592 10.492 5.584 1.00 0.00 O ATOM 1136 CB HIS A 75 8.475 10.916 2.857 1.00 0.00 C ATOM 1137 CG HIS A 75 9.927 10.556 2.927 1.00 0.00 C ATOM 1138 ND1 HIS A 75 10.379 9.349 3.416 1.00 0.00 N ATOM 1139 CD2 HIS A 75 11.031 11.253 2.569 1.00 0.00 C ATOM 1140 CE1 HIS A 75 11.699 9.319 3.356 1.00 0.00 C ATOM 1141 NE2 HIS A 75 12.119 10.462 2.845 1.00 0.00 N ATOM 0 H HIS A 75 6.057 10.984 2.434 1.00 0.00 H new ATOM 0 HA HIS A 75 7.825 8.864 2.776 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.230 11.207 1.835 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.294 11.786 3.488 1.00 0.00 H new ATOM 0 HD2 HIS A 75 11.052 12.246 2.145 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.327 8.499 3.671 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.093 10.716 2.682 1.00 0.00 H new ATOM 1150 N GLY A 76 7.891 8.299 5.175 1.00 0.00 N ATOM 1151 CA GLY A 76 8.040 7.970 6.580 1.00 0.00 C ATOM 1152 C GLY A 76 6.836 7.244 7.150 1.00 0.00 C ATOM 1153 O GLY A 76 6.750 7.033 8.359 1.00 0.00 O ATOM 0 H GLY A 76 7.964 7.505 4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.927 7.349 6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.206 8.886 7.146 1.00 0.00 H new ATOM 1157 N ASP A 77 5.903 6.857 6.284 1.00 0.00 N ATOM 1158 CA ASP A 77 4.707 6.151 6.725 1.00 0.00 C ATOM 1159 C ASP A 77 4.959 4.649 6.804 1.00 0.00 C ATOM 1160 O ASP A 77 6.044 4.171 6.470 1.00 0.00 O ATOM 1161 CB ASP A 77 3.541 6.437 5.776 1.00 0.00 C ATOM 1162 CG ASP A 77 2.577 7.463 6.339 1.00 0.00 C ATOM 1163 OD1 ASP A 77 2.945 8.656 6.397 1.00 0.00 O ATOM 1164 OD2 ASP A 77 1.453 7.075 6.722 1.00 0.00 O ATOM 0 H ASP A 77 5.953 7.020 5.278 1.00 0.00 H new ATOM 0 HA ASP A 77 4.451 6.510 7.722 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.931 6.793 4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.004 5.510 5.574 1.00 0.00 H new ATOM 1169 N ARG A 78 3.948 3.910 7.245 1.00 0.00 N ATOM 1170 CA ARG A 78 4.049 2.460 7.367 1.00 0.00 C ATOM 1171 C ARG A 78 2.741 1.801 6.962 1.00 0.00 C ATOM 1172 O ARG A 78 1.661 2.340 7.205 1.00 0.00 O ATOM 1173 CB ARG A 78 4.419 2.066 8.798 1.00 0.00 C ATOM 1174 CG ARG A 78 3.542 2.717 9.855 1.00 0.00 C ATOM 1175 CD ARG A 78 4.190 3.967 10.424 1.00 0.00 C ATOM 1176 NE ARG A 78 3.262 4.741 11.246 1.00 0.00 N ATOM 1177 CZ ARG A 78 3.561 5.915 11.799 1.00 0.00 C ATOM 1178 NH1 ARG A 78 4.761 6.453 11.622 1.00 0.00 N ATOM 1179 NH2 ARG A 78 2.656 6.551 12.531 1.00 0.00 N ATOM 0 H ARG A 78 3.045 4.293 7.525 1.00 0.00 H new ATOM 0 HA ARG A 78 4.836 2.114 6.697 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.349 0.983 8.897 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.458 2.337 8.983 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.576 2.973 9.420 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.352 2.006 10.659 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.056 3.685 11.023 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.556 4.589 9.607 1.00 0.00 H new ATOM 0 HE ARG A 78 2.330 4.359 11.406 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.460 5.967 11.060 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.985 7.352 12.048 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.732 6.141 12.670 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.884 7.450 12.955 1.00 0.00 H new ATOM 1193 N ILE A 79 2.843 0.639 6.330 1.00 0.00 N ATOM 1194 CA ILE A 79 1.661 -0.077 5.878 1.00 0.00 C ATOM 1195 C ILE A 79 1.791 -1.577 6.099 1.00 0.00 C ATOM 1196 O ILE A 79 2.884 -2.095 6.326 1.00 0.00 O ATOM 1197 CB ILE A 79 1.388 0.184 4.387 1.00 0.00 C ATOM 1198 CG1 ILE A 79 2.701 0.322 3.609 1.00 0.00 C ATOM 1199 CG2 ILE A 79 0.534 1.428 4.221 1.00 0.00 C ATOM 1200 CD1 ILE A 79 2.503 0.549 2.127 1.00 0.00 C ATOM 0 H ILE A 79 3.727 0.176 6.120 1.00 0.00 H new ATOM 0 HA ILE A 79 0.827 0.297 6.472 1.00 0.00 H new ATOM 0 HB ILE A 79 0.844 -0.669 3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.273 1.152 4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.297 -0.579 3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.347 1.603 3.161 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.415 1.289 4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.056 2.287 4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.474 0.637 1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.958 -0.293 1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.934 1.466 1.972 1.00 0.00 H new ATOM 1212 N THR A 80 0.660 -2.267 6.018 1.00 0.00 N ATOM 1213 CA THR A 80 0.628 -3.711 6.196 1.00 0.00 C ATOM 1214 C THR A 80 -0.136 -4.373 5.058 1.00 0.00 C ATOM 1215 O THR A 80 -1.254 -3.974 4.732 1.00 0.00 O ATOM 1216 CB THR A 80 -0.018 -4.072 7.533 1.00 0.00 C ATOM 1217 OG1 THR A 80 0.668 -3.451 8.606 1.00 0.00 O ATOM 1218 CG2 THR A 80 -0.042 -5.561 7.801 1.00 0.00 C ATOM 0 H THR A 80 -0.250 -1.847 5.829 1.00 0.00 H new ATOM 0 HA THR A 80 1.655 -4.076 6.190 1.00 0.00 H new ATOM 0 HB THR A 80 -1.046 -3.715 7.464 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.238 -3.693 9.453 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.513 -5.750 8.766 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.608 -6.063 7.016 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.978 -5.945 7.815 1.00 0.00 H new ATOM 1226 N ILE A 81 0.475 -5.382 4.453 1.00 0.00 N ATOM 1227 CA ILE A 81 -0.145 -6.096 3.347 1.00 0.00 C ATOM 1228 C ILE A 81 -0.721 -7.429 3.804 1.00 0.00 C ATOM 1229 O ILE A 81 -0.272 -8.007 4.793 1.00 0.00 O ATOM 1230 CB ILE A 81 0.860 -6.352 2.209 1.00 0.00 C ATOM 1231 CG1 ILE A 81 1.626 -5.072 1.883 1.00 0.00 C ATOM 1232 CG2 ILE A 81 0.142 -6.880 0.977 1.00 0.00 C ATOM 1233 CD1 ILE A 81 0.731 -3.913 1.499 1.00 0.00 C ATOM 0 H ILE A 81 1.401 -5.725 4.710 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.951 -5.462 2.978 1.00 0.00 H new ATOM 0 HB ILE A 81 1.575 -7.107 2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.225 -4.787 2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.319 -5.271 1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.866 -7.056 0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.362 -7.815 1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.593 -6.148 0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.343 -3.038 1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.150 -4.179 0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.055 -3.687 2.323 1.00 0.00 H new ATOM 1245 N GLU A 82 -1.716 -7.914 3.074 1.00 0.00 N ATOM 1246 CA GLU A 82 -2.350 -9.185 3.398 1.00 0.00 C ATOM 1247 C GLU A 82 -2.540 -10.021 2.137 1.00 0.00 C ATOM 1248 O GLU A 82 -3.270 -9.632 1.225 1.00 0.00 O ATOM 1249 CB GLU A 82 -3.695 -8.947 4.096 1.00 0.00 C ATOM 1250 CG GLU A 82 -4.677 -10.105 3.968 1.00 0.00 C ATOM 1251 CD GLU A 82 -5.939 -9.893 4.780 1.00 0.00 C ATOM 1252 OE1 GLU A 82 -5.900 -9.096 5.741 1.00 0.00 O ATOM 1253 OE2 GLU A 82 -6.966 -10.526 4.457 1.00 0.00 O ATOM 0 H GLU A 82 -2.102 -7.447 2.253 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.701 -9.735 4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.514 -8.754 5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.153 -8.049 3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.942 -10.237 2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.191 -11.026 4.292 1.00 0.00 H new ATOM 1260 N ILE A 83 -1.880 -11.174 2.093 1.00 0.00 N ATOM 1261 CA ILE A 83 -1.982 -12.063 0.945 1.00 0.00 C ATOM 1262 C ILE A 83 -3.402 -12.598 0.796 1.00 0.00 C ATOM 1263 O ILE A 83 -3.843 -13.447 1.572 1.00 0.00 O ATOM 1264 CB ILE A 83 -1.000 -13.248 1.054 1.00 0.00 C ATOM 1265 CG1 ILE A 83 0.445 -12.739 1.111 1.00 0.00 C ATOM 1266 CG2 ILE A 83 -1.185 -14.201 -0.118 1.00 0.00 C ATOM 1267 CD1 ILE A 83 1.060 -12.808 2.493 1.00 0.00 C ATOM 0 H ILE A 83 -1.271 -11.512 2.838 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.722 -11.475 0.064 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.211 -13.791 1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.054 -13.324 0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.471 -11.707 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.485 -15.031 -0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.205 -14.585 -0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.998 -13.670 -1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.082 -12.432 2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.474 -12.200 3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.067 -13.842 2.837 1.00 0.00 H new ATOM 1279 N LEU A 84 -4.113 -12.097 -0.207 1.00 0.00 N ATOM 1280 CA LEU A 84 -5.482 -12.522 -0.461 1.00 0.00 C ATOM 1281 C LEU A 84 -5.515 -13.937 -1.032 1.00 0.00 C ATOM 1282 O LEU A 84 -4.478 -14.499 -1.382 1.00 0.00 O ATOM 1283 CB LEU A 84 -6.171 -11.552 -1.422 1.00 0.00 C ATOM 1284 CG LEU A 84 -6.063 -10.075 -1.039 1.00 0.00 C ATOM 1285 CD1 LEU A 84 -6.896 -9.218 -1.978 1.00 0.00 C ATOM 1286 CD2 LEU A 84 -6.497 -9.865 0.405 1.00 0.00 C ATOM 0 H LEU A 84 -3.762 -11.395 -0.858 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.019 -12.521 0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.745 -11.686 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.226 -11.818 -1.488 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.020 -9.771 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.807 -8.171 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.539 -9.345 -3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.941 -9.523 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.414 -8.809 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.532 -10.187 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.857 -10.449 1.066 1.00 0.00 H new ATOM 1298 N LYS A 85 -6.712 -14.505 -1.122 1.00 0.00 N ATOM 1299 CA LYS A 85 -6.881 -15.851 -1.650 1.00 0.00 C ATOM 1300 C LYS A 85 -7.239 -15.809 -3.130 1.00 0.00 C ATOM 1301 O LYS A 85 -8.400 -15.621 -3.496 1.00 0.00 O ATOM 1302 CB LYS A 85 -7.965 -16.596 -0.871 1.00 0.00 C ATOM 1303 CG LYS A 85 -8.094 -18.060 -1.255 1.00 0.00 C ATOM 1304 CD LYS A 85 -7.158 -18.935 -0.439 1.00 0.00 C ATOM 1305 CE LYS A 85 -5.722 -18.818 -0.924 1.00 0.00 C ATOM 1306 NZ LYS A 85 -4.912 -20.012 -0.558 1.00 0.00 N ATOM 0 H LYS A 85 -7.580 -14.053 -0.835 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.936 -16.382 -1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.747 -16.527 0.195 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.922 -16.101 -1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.123 -18.387 -1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.873 -18.180 -2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.213 -18.648 0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.481 -19.974 -0.503 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.714 -18.692 -2.007 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.266 -17.925 -0.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.940 -19.892 -0.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.898 -20.118 0.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.332 -20.861 -0.987 1.00 0.00 H new ATOM 1320 N GLY A 86 -6.233 -15.986 -3.975 1.00 0.00 N ATOM 1321 CA GLY A 86 -6.452 -15.966 -5.410 1.00 0.00 C ATOM 1322 C GLY A 86 -7.447 -17.018 -5.859 1.00 0.00 C ATOM 1323 O GLY A 86 -7.008 -18.101 -6.300 1.00 0.00 O ATOM 1324 OXT GLY A 86 -8.666 -16.760 -5.770 1.00 0.00 O ATOM 0 H GLY A 86 -5.266 -16.144 -3.693 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.811 -14.980 -5.706 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.503 -16.126 -5.922 1.00 0.00 H new TER 1328 GLY A 86