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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 21 MET CE :methyl 138:sc= -1.54 (180deg=-2.56!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -148:sc= 0.19 (180deg=0) USER MOD Set 2.2: A 74 GLN : amide:sc= -0.159 K(o=0.031,f=-0.75) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -149:sc= -0.0056 (180deg=-0.376) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 14 THR OG1 : rot 105:sc= -4.01! USER MOD Single : A 15 ASN :FLIP amide:sc= -0.82 F(o=-3.3!,f=-0.82) USER MOD Single : A 19 GLN : amide:sc= -0.535 K(o=-0.54,f=-5.6!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.529 USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= -0.12 (180deg=-0.155) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -58:sc= 0.708 USER MOD Single : A 28 THR OG1 : rot 0:sc= -0.189 USER MOD Single : A 29 THR OG1 : rot -150:sc= -0.811 USER MOD Single : A 34 GLN : amide:sc= -0.282 K(o=-0.28,f=-1) USER MOD Single : A 36 SER OG : rot -130:sc= -0.0277 USER MOD Single : A 42 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -4.61! C(o=-4.6!,f=-12!) USER MOD Single : A 49 CYS SG : rot -52:sc= -2.22 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= -0.0468 X(o=-0.047,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.98 K(o=-2,f=-2.9!) 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 12.348 12.922 -7.358 1.00 0.00 N ATOM 2 CA LYS A 6 12.379 12.647 -5.926 1.00 0.00 C ATOM 3 C LYS A 6 11.016 12.168 -5.436 1.00 0.00 C ATOM 4 O LYS A 6 10.039 12.916 -5.459 1.00 0.00 O ATOM 5 CB LYS A 6 12.802 13.898 -5.154 1.00 0.00 C ATOM 6 CG LYS A 6 14.128 14.481 -5.620 1.00 0.00 C ATOM 7 CD LYS A 6 15.174 14.445 -4.517 1.00 0.00 C ATOM 8 CE LYS A 6 16.548 14.092 -5.065 1.00 0.00 C ATOM 9 NZ LYS A 6 17.637 14.776 -4.316 1.00 0.00 N ATOM 0 HA LYS A 6 13.108 11.856 -5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.026 14.657 -5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.874 13.654 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.489 13.921 -6.483 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.979 15.510 -5.947 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.216 15.415 -4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.883 13.715 -3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.694 13.013 -5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.601 14.370 -6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.557 14.509 -4.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.513 15.806 -4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.603 14.491 -3.316 1.00 0.00 H new ATOM 23 N GLU A 7 10.959 10.916 -4.995 1.00 0.00 N ATOM 24 CA GLU A 7 9.715 10.334 -4.502 1.00 0.00 C ATOM 25 C GLU A 7 9.779 10.109 -2.993 1.00 0.00 C ATOM 26 O GLU A 7 10.749 10.494 -2.341 1.00 0.00 O ATOM 27 CB GLU A 7 9.426 9.014 -5.220 1.00 0.00 C ATOM 28 CG GLU A 7 10.668 8.183 -5.498 1.00 0.00 C ATOM 29 CD GLU A 7 11.396 8.622 -6.753 1.00 0.00 C ATOM 30 OE1 GLU A 7 10.769 9.294 -7.598 1.00 0.00 O ATOM 31 OE2 GLU A 7 12.592 8.292 -6.892 1.00 0.00 O ATOM 0 H GLU A 7 11.759 10.284 -4.969 1.00 0.00 H new ATOM 0 HA GLU A 7 8.906 11.035 -4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.735 8.426 -4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.924 9.227 -6.164 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.345 8.253 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.385 7.135 -5.595 1.00 0.00 H new ATOM 38 N LYS A 8 8.740 9.485 -2.442 1.00 0.00 N ATOM 39 CA LYS A 8 8.686 9.218 -1.010 1.00 0.00 C ATOM 40 C LYS A 8 8.980 7.753 -0.714 1.00 0.00 C ATOM 41 O LYS A 8 8.806 6.885 -1.570 1.00 0.00 O ATOM 42 CB LYS A 8 7.315 9.595 -0.445 1.00 0.00 C ATOM 43 CG LYS A 8 6.169 8.769 -1.007 1.00 0.00 C ATOM 44 CD LYS A 8 5.041 9.652 -1.519 1.00 0.00 C ATOM 45 CE LYS A 8 3.689 8.975 -1.363 1.00 0.00 C ATOM 46 NZ LYS A 8 2.562 9.903 -1.666 1.00 0.00 N ATOM 0 H LYS A 8 7.928 9.157 -2.965 1.00 0.00 H new ATOM 0 HA LYS A 8 9.450 9.829 -0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.335 9.480 0.639 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.125 10.649 -0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.536 8.140 -1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.787 8.102 -0.234 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.041 10.596 -0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.211 9.889 -2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.637 8.112 -2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.586 8.600 -0.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.741 9.656 -1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.853 10.880 -1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.305 9.821 -2.670 1.00 0.00 H new ATOM 60 N LYS A 9 9.421 7.488 0.510 1.00 0.00 N ATOM 61 CA LYS A 9 9.734 6.132 0.937 1.00 0.00 C ATOM 62 C LYS A 9 8.832 5.719 2.094 1.00 0.00 C ATOM 63 O LYS A 9 8.639 6.479 3.043 1.00 0.00 O ATOM 64 CB LYS A 9 11.203 6.029 1.355 1.00 0.00 C ATOM 65 CG LYS A 9 11.594 4.655 1.879 1.00 0.00 C ATOM 66 CD LYS A 9 11.803 4.670 3.385 1.00 0.00 C ATOM 67 CE LYS A 9 13.281 4.685 3.743 1.00 0.00 C ATOM 68 NZ LYS A 9 13.817 3.311 3.946 1.00 0.00 N ATOM 0 H LYS A 9 9.570 8.199 1.226 1.00 0.00 H new ATOM 0 HA LYS A 9 9.560 5.458 0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.833 6.275 0.500 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.406 6.773 2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.817 3.934 1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.509 4.324 1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.315 5.546 3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.329 3.794 3.828 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.842 5.180 2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.429 5.270 4.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.582 3.337 4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.056 2.688 4.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.188 2.947 3.045 1.00 0.00 H new ATOM 82 N ILE A 10 8.276 4.516 2.009 1.00 0.00 N ATOM 83 CA ILE A 10 7.387 4.017 3.052 1.00 0.00 C ATOM 84 C ILE A 10 7.745 2.585 3.441 1.00 0.00 C ATOM 85 O ILE A 10 8.459 1.893 2.716 1.00 0.00 O ATOM 86 CB ILE A 10 5.902 4.073 2.620 1.00 0.00 C ATOM 87 CG1 ILE A 10 5.723 4.950 1.374 1.00 0.00 C ATOM 88 CG2 ILE A 10 5.043 4.597 3.761 1.00 0.00 C ATOM 89 CD1 ILE A 10 5.971 6.422 1.625 1.00 0.00 C ATOM 0 H ILE A 10 8.424 3.871 1.233 1.00 0.00 H new ATOM 0 HA ILE A 10 7.522 4.670 3.914 1.00 0.00 H new ATOM 0 HB ILE A 10 5.582 3.061 2.370 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.403 4.604 0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.710 4.821 0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.000 4.632 3.445 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.139 3.936 4.622 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.373 5.599 4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.826 6.979 0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.273 6.785 2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.993 6.564 1.977 1.00 0.00 H new ATOM 101 N ARG A 11 7.246 2.149 4.595 1.00 0.00 N ATOM 102 CA ARG A 11 7.515 0.801 5.088 1.00 0.00 C ATOM 103 C ARG A 11 6.389 -0.153 4.704 1.00 0.00 C ATOM 104 O ARG A 11 5.246 0.265 4.528 1.00 0.00 O ATOM 105 CB ARG A 11 7.687 0.825 6.610 1.00 0.00 C ATOM 106 CG ARG A 11 7.968 -0.540 7.220 1.00 0.00 C ATOM 107 CD ARG A 11 7.712 -0.545 8.718 1.00 0.00 C ATOM 108 NE ARG A 11 8.378 0.568 9.391 1.00 0.00 N ATOM 109 CZ ARG A 11 9.663 0.563 9.740 1.00 0.00 C ATOM 110 NH1 ARG A 11 10.424 -0.493 9.480 1.00 0.00 N ATOM 111 NH2 ARG A 11 10.188 1.617 10.348 1.00 0.00 N ATOM 0 H ARG A 11 6.653 2.710 5.206 1.00 0.00 H new ATOM 0 HA ARG A 11 8.437 0.445 4.628 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.504 1.500 6.863 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.784 1.235 7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.340 -1.290 6.740 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.003 -0.820 7.026 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.639 -0.491 8.903 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.061 -1.486 9.142 1.00 0.00 H new ATOM 0 HE ARG A 11 7.826 1.398 9.606 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.025 -1.306 9.011 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.408 -0.491 9.750 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.608 2.432 10.548 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.172 1.614 10.616 1.00 0.00 H new ATOM 125 N ILE A 12 6.717 -1.437 4.579 1.00 0.00 N ATOM 126 CA ILE A 12 5.725 -2.441 4.222 1.00 0.00 C ATOM 127 C ILE A 12 5.877 -3.691 5.078 1.00 0.00 C ATOM 128 O ILE A 12 6.986 -4.064 5.459 1.00 0.00 O ATOM 129 CB ILE A 12 5.828 -2.856 2.743 1.00 0.00 C ATOM 130 CG1 ILE A 12 5.740 -1.634 1.825 1.00 0.00 C ATOM 131 CG2 ILE A 12 4.736 -3.861 2.409 1.00 0.00 C ATOM 132 CD1 ILE A 12 6.351 -1.864 0.457 1.00 0.00 C ATOM 0 H ILE A 12 7.659 -1.803 4.720 1.00 0.00 H new ATOM 0 HA ILE A 12 4.752 -1.981 4.398 1.00 0.00 H new ATOM 0 HB ILE A 12 6.798 -3.325 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.694 -1.354 1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.243 -0.793 2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.815 -4.150 1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.849 -4.744 3.038 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.760 -3.411 2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.254 -0.958 -0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 12 7.406 -2.115 0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.833 -2.684 -0.040 1.00 0.00 H new ATOM 144 N THR A 13 4.757 -4.341 5.364 1.00 0.00 N ATOM 145 CA THR A 13 4.769 -5.559 6.161 1.00 0.00 C ATOM 146 C THR A 13 3.608 -6.473 5.793 1.00 0.00 C ATOM 147 O THR A 13 2.446 -6.113 5.967 1.00 0.00 O ATOM 148 CB THR A 13 4.717 -5.225 7.646 1.00 0.00 C ATOM 149 OG1 THR A 13 5.338 -3.979 7.906 1.00 0.00 O ATOM 150 CG2 THR A 13 5.401 -6.268 8.493 1.00 0.00 C ATOM 0 H THR A 13 3.830 -4.046 5.056 1.00 0.00 H new ATOM 0 HA THR A 13 5.699 -6.086 5.946 1.00 0.00 H new ATOM 0 HB THR A 13 3.660 -5.189 7.908 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.292 -3.784 8.865 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.336 -5.983 9.543 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.913 -7.232 8.347 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.449 -6.344 8.201 1.00 0.00 H new ATOM 158 N THR A 14 3.929 -7.658 5.286 1.00 0.00 N ATOM 159 CA THR A 14 2.903 -8.614 4.892 1.00 0.00 C ATOM 160 C THR A 14 2.508 -9.521 6.048 1.00 0.00 C ATOM 161 O THR A 14 3.355 -9.958 6.835 1.00 0.00 O ATOM 162 CB THR A 14 3.366 -9.458 3.709 1.00 0.00 C ATOM 163 OG1 THR A 14 4.013 -10.638 4.149 1.00 0.00 O ATOM 164 CG2 THR A 14 4.315 -8.720 2.794 1.00 0.00 C ATOM 0 H THR A 14 4.886 -7.978 5.139 1.00 0.00 H new ATOM 0 HA THR A 14 2.028 -8.037 4.594 1.00 0.00 H new ATOM 0 HB THR A 14 2.461 -9.699 3.152 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.415 -11.405 4.025 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.609 -9.372 1.972 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.821 -7.834 2.395 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.201 -8.420 3.354 1.00 0.00 H new ATOM 172 N ASN A 15 1.208 -9.791 6.122 1.00 0.00 N ATOM 173 CA ASN A 15 0.634 -10.640 7.161 1.00 0.00 C ATOM 174 C ASN A 15 1.415 -11.943 7.323 1.00 0.00 C ATOM 175 O ASN A 15 1.436 -12.530 8.405 1.00 0.00 O ATOM 176 CB ASN A 15 -0.843 -10.925 6.843 1.00 0.00 C ATOM 177 CG ASN A 15 -1.061 -12.223 6.089 1.00 0.00 C ATOM 178 OD1 ASN A 15 -0.678 -12.237 4.821 1.00 0.00 O flip ATOM 179 ND2 ASN A 15 -1.567 -13.200 6.641 1.00 0.00 N flip ATOM 0 H ASN A 15 0.521 -9.426 5.462 1.00 0.00 H new ATOM 0 HA ASN A 15 0.700 -10.107 8.110 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.407 -10.956 7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.245 -10.100 6.254 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.847 -13.144 7.620 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.706 -14.065 6.119 1.00 0.00 H new ATOM 186 N ASP A 16 2.058 -12.390 6.249 1.00 0.00 N ATOM 187 CA ASP A 16 2.836 -13.622 6.298 1.00 0.00 C ATOM 188 C ASP A 16 3.922 -13.522 7.364 1.00 0.00 C ATOM 189 O ASP A 16 4.385 -14.532 7.893 1.00 0.00 O ATOM 190 CB ASP A 16 3.464 -13.917 4.935 1.00 0.00 C ATOM 191 CG ASP A 16 3.352 -15.381 4.557 1.00 0.00 C ATOM 192 OD1 ASP A 16 2.234 -15.823 4.218 1.00 0.00 O ATOM 193 OD2 ASP A 16 4.383 -16.085 4.597 1.00 0.00 O ATOM 0 H ASP A 16 2.056 -11.923 5.342 1.00 0.00 H new ATOM 0 HA ASP A 16 2.164 -14.441 6.556 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.977 -13.309 4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.515 -13.627 4.951 1.00 0.00 H new ATOM 198 N GLY A 17 4.320 -12.293 7.676 1.00 0.00 N ATOM 199 CA GLY A 17 5.343 -12.074 8.677 1.00 0.00 C ATOM 200 C GLY A 17 6.615 -11.509 8.084 1.00 0.00 C ATOM 201 O GLY A 17 7.708 -11.752 8.598 1.00 0.00 O ATOM 0 H GLY A 17 3.950 -11.443 7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.964 -11.391 9.437 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.566 -13.016 9.178 1.00 0.00 H new ATOM 205 N ARG A 18 6.479 -10.752 6.999 1.00 0.00 N ATOM 206 CA ARG A 18 7.640 -10.156 6.345 1.00 0.00 C ATOM 207 C ARG A 18 7.424 -8.665 6.097 1.00 0.00 C ATOM 208 O ARG A 18 6.288 -8.196 6.057 1.00 0.00 O ATOM 209 CB ARG A 18 7.948 -10.891 5.035 1.00 0.00 C ATOM 210 CG ARG A 18 7.124 -10.426 3.847 1.00 0.00 C ATOM 211 CD ARG A 18 7.354 -11.313 2.635 1.00 0.00 C ATOM 212 NE ARG A 18 6.794 -12.650 2.814 1.00 0.00 N ATOM 213 CZ ARG A 18 5.537 -12.972 2.517 1.00 0.00 C ATOM 214 NH1 ARG A 18 4.686 -12.043 2.098 1.00 0.00 N ATOM 215 NH2 ARG A 18 5.124 -14.224 2.655 1.00 0.00 N ATOM 0 H ARG A 18 5.585 -10.538 6.557 1.00 0.00 H new ATOM 0 HA ARG A 18 8.499 -10.260 7.008 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.005 -10.764 4.801 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.780 -11.958 5.183 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.066 -10.433 4.110 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.384 -9.396 3.602 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.906 -10.848 1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.424 -11.392 2.443 1.00 0.00 H new ATOM 0 HE ARG A 18 7.401 -13.379 3.188 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.994 -11.075 2.002 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.724 -12.297 1.872 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.769 -14.940 2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.161 -14.471 2.428 1.00 0.00 H new ATOM 229 N GLN A 19 8.518 -7.922 5.938 1.00 0.00 N ATOM 230 CA GLN A 19 8.429 -6.484 5.705 1.00 0.00 C ATOM 231 C GLN A 19 9.546 -5.990 4.790 1.00 0.00 C ATOM 232 O GLN A 19 10.568 -6.653 4.620 1.00 0.00 O ATOM 233 CB GLN A 19 8.482 -5.720 7.032 1.00 0.00 C ATOM 234 CG GLN A 19 9.487 -6.279 8.028 1.00 0.00 C ATOM 235 CD GLN A 19 10.819 -5.557 7.977 1.00 0.00 C ATOM 236 OE1 GLN A 19 11.222 -5.043 6.933 1.00 0.00 O ATOM 237 NE2 GLN A 19 11.512 -5.514 9.109 1.00 0.00 N ATOM 0 H GLN A 19 9.469 -8.290 5.966 1.00 0.00 H new ATOM 0 HA GLN A 19 7.474 -6.296 5.213 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.728 -4.678 6.830 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.491 -5.732 7.486 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.076 -6.205 9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.644 -7.338 7.825 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.141 -5.953 9.951 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.416 -5.042 9.136 1.00 0.00 H new ATOM 246 N SER A 20 9.335 -4.811 4.212 1.00 0.00 N ATOM 247 CA SER A 20 10.310 -4.201 3.318 1.00 0.00 C ATOM 248 C SER A 20 9.998 -2.720 3.120 1.00 0.00 C ATOM 249 O SER A 20 9.011 -2.209 3.649 1.00 0.00 O ATOM 250 CB SER A 20 10.326 -4.925 1.968 1.00 0.00 C ATOM 251 OG SER A 20 11.642 -5.316 1.614 1.00 0.00 O ATOM 0 H SER A 20 8.490 -4.257 4.349 1.00 0.00 H new ATOM 0 HA SER A 20 11.297 -4.291 3.772 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.683 -5.804 2.015 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.917 -4.272 1.197 1.00 0.00 H new ATOM 0 HG SER A 20 11.625 -5.777 0.750 1.00 0.00 H new ATOM 257 N MET A 21 10.844 -2.033 2.359 1.00 0.00 N ATOM 258 CA MET A 21 10.651 -0.611 2.099 1.00 0.00 C ATOM 259 C MET A 21 10.567 -0.333 0.606 1.00 0.00 C ATOM 260 O MET A 21 11.124 -1.067 -0.208 1.00 0.00 O ATOM 261 CB MET A 21 11.779 0.211 2.736 1.00 0.00 C ATOM 262 CG MET A 21 13.103 0.135 1.988 1.00 0.00 C ATOM 263 SD MET A 21 14.006 -1.390 2.323 1.00 0.00 S ATOM 264 CE MET A 21 13.792 -2.256 0.770 1.00 0.00 C ATOM 0 H MET A 21 11.668 -2.437 1.913 1.00 0.00 H new ATOM 0 HA MET A 21 9.705 -0.312 2.551 1.00 0.00 H new ATOM 0 HB2 MET A 21 11.466 1.254 2.794 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.932 -0.133 3.759 1.00 0.00 H new ATOM 0 HG2 MET A 21 12.915 0.213 0.917 1.00 0.00 H new ATOM 0 HG3 MET A 21 13.722 0.988 2.266 1.00 0.00 H new ATOM 0 HE1 MET A 21 14.731 -2.730 0.485 1.00 0.00 H new ATOM 0 HE2 MET A 21 13.020 -3.018 0.881 1.00 0.00 H new ATOM 0 HE3 MET A 21 13.494 -1.548 -0.003 1.00 0.00 H new ATOM 274 N VAL A 22 9.855 0.730 0.259 1.00 0.00 N ATOM 275 CA VAL A 22 9.681 1.105 -1.133 1.00 0.00 C ATOM 276 C VAL A 22 9.900 2.599 -1.341 1.00 0.00 C ATOM 277 O VAL A 22 10.039 3.358 -0.382 1.00 0.00 O ATOM 278 CB VAL A 22 8.275 0.732 -1.624 1.00 0.00 C ATOM 279 CG1 VAL A 22 8.145 -0.773 -1.789 1.00 0.00 C ATOM 280 CG2 VAL A 22 7.218 1.265 -0.670 1.00 0.00 C ATOM 0 H VAL A 22 9.389 1.347 0.924 1.00 0.00 H new ATOM 0 HA VAL A 22 10.427 0.557 -1.708 1.00 0.00 H new ATOM 0 HB VAL A 22 8.118 1.193 -2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.141 -1.015 -2.138 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.877 -1.124 -2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.324 -1.261 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.228 0.991 -1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.372 0.836 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.295 2.351 -0.611 1.00 0.00 H new ATOM 290 N THR A 23 9.925 3.012 -2.604 1.00 0.00 N ATOM 291 CA THR A 23 10.121 4.414 -2.951 1.00 0.00 C ATOM 292 C THR A 23 8.900 4.958 -3.686 1.00 0.00 C ATOM 293 O THR A 23 9.025 5.612 -4.722 1.00 0.00 O ATOM 294 CB THR A 23 11.370 4.576 -3.820 1.00 0.00 C ATOM 295 OG1 THR A 23 11.725 5.943 -3.937 1.00 0.00 O ATOM 296 CG2 THR A 23 11.199 4.025 -5.218 1.00 0.00 C ATOM 0 H THR A 23 9.811 2.393 -3.406 1.00 0.00 H new ATOM 0 HA THR A 23 10.256 4.981 -2.030 1.00 0.00 H new ATOM 0 HB THR A 23 12.151 4.007 -3.315 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.526 6.026 -4.495 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.120 4.171 -5.782 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.972 2.960 -5.164 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.382 4.546 -5.717 1.00 0.00 H new ATOM 304 N LEU A 24 7.719 4.672 -3.142 1.00 0.00 N ATOM 305 CA LEU A 24 6.453 5.115 -3.732 1.00 0.00 C ATOM 306 C LEU A 24 6.578 6.504 -4.357 1.00 0.00 C ATOM 307 O LEU A 24 7.082 7.434 -3.733 1.00 0.00 O ATOM 308 CB LEU A 24 5.352 5.118 -2.668 1.00 0.00 C ATOM 309 CG LEU A 24 4.081 4.359 -3.052 1.00 0.00 C ATOM 310 CD1 LEU A 24 4.401 2.907 -3.377 1.00 0.00 C ATOM 311 CD2 LEU A 24 3.053 4.442 -1.934 1.00 0.00 C ATOM 0 H LEU A 24 7.610 4.130 -2.285 1.00 0.00 H new ATOM 0 HA LEU A 24 6.192 4.414 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.752 4.686 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.087 6.151 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 24 3.659 4.824 -3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.484 2.384 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.101 2.867 -4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.847 2.429 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.155 3.897 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.467 4.003 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.800 5.486 -1.749 1.00 0.00 H new ATOM 323 N LYS A 25 6.119 6.630 -5.596 1.00 0.00 N ATOM 324 CA LYS A 25 6.180 7.898 -6.313 1.00 0.00 C ATOM 325 C LYS A 25 5.342 8.960 -5.610 1.00 0.00 C ATOM 326 O LYS A 25 4.510 8.647 -4.759 1.00 0.00 O ATOM 327 CB LYS A 25 5.695 7.723 -7.755 1.00 0.00 C ATOM 328 CG LYS A 25 6.341 6.554 -8.481 1.00 0.00 C ATOM 329 CD LYS A 25 7.735 6.906 -8.974 1.00 0.00 C ATOM 330 CE LYS A 25 8.759 6.807 -7.857 1.00 0.00 C ATOM 331 NZ LYS A 25 10.056 6.257 -8.339 1.00 0.00 N ATOM 0 H LYS A 25 5.699 5.867 -6.127 1.00 0.00 H new ATOM 0 HA LYS A 25 7.219 8.227 -6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.614 7.584 -7.751 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.896 8.639 -8.310 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.397 5.695 -7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.718 6.260 -9.326 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.015 6.236 -9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.734 7.917 -9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.922 7.795 -7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.368 6.172 -7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.699 6.126 -7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.893 5.341 -8.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.483 6.919 -9.018 1.00 0.00 H new ATOM 345 N SER A 26 5.568 10.219 -5.972 1.00 0.00 N ATOM 346 CA SER A 26 4.834 11.328 -5.377 1.00 0.00 C ATOM 347 C SER A 26 3.360 11.274 -5.768 1.00 0.00 C ATOM 348 O SER A 26 2.489 11.694 -5.006 1.00 0.00 O ATOM 349 CB SER A 26 5.441 12.663 -5.812 1.00 0.00 C ATOM 350 OG SER A 26 6.398 13.119 -4.871 1.00 0.00 O ATOM 0 H SER A 26 6.254 10.496 -6.675 1.00 0.00 H new ATOM 0 HA SER A 26 4.909 11.241 -4.293 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.912 12.551 -6.789 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.652 13.406 -5.922 1.00 0.00 H new ATOM 0 HG SER A 26 6.772 13.973 -5.173 1.00 0.00 H new ATOM 356 N SER A 27 3.089 10.751 -6.961 1.00 0.00 N ATOM 357 CA SER A 27 1.722 10.641 -7.454 1.00 0.00 C ATOM 358 C SER A 27 1.378 9.189 -7.776 1.00 0.00 C ATOM 359 O SER A 27 0.893 8.880 -8.865 1.00 0.00 O ATOM 360 CB SER A 27 1.535 11.512 -8.699 1.00 0.00 C ATOM 361 OG SER A 27 0.207 11.425 -9.187 1.00 0.00 O ATOM 0 H SER A 27 3.799 10.397 -7.603 1.00 0.00 H new ATOM 0 HA SER A 27 1.048 10.991 -6.672 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.771 12.549 -8.460 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.232 11.197 -9.475 1.00 0.00 H new ATOM 0 HG SER A 27 -0.004 10.491 -9.395 1.00 0.00 H new ATOM 367 N THR A 28 1.632 8.300 -6.820 1.00 0.00 N ATOM 368 CA THR A 28 1.350 6.881 -7.001 1.00 0.00 C ATOM 369 C THR A 28 -0.004 6.519 -6.394 1.00 0.00 C ATOM 370 O THR A 28 -0.173 6.533 -5.175 1.00 0.00 O ATOM 371 CB THR A 28 2.471 6.036 -6.376 1.00 0.00 C ATOM 372 OG1 THR A 28 3.456 5.727 -7.346 1.00 0.00 O ATOM 373 CG2 THR A 28 2.001 4.725 -5.775 1.00 0.00 C ATOM 0 H THR A 28 2.032 8.538 -5.913 1.00 0.00 H new ATOM 0 HA THR A 28 1.308 6.667 -8.069 1.00 0.00 H new ATOM 0 HB THR A 28 2.870 6.653 -5.571 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.204 6.123 -8.206 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.854 4.191 -5.356 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.275 4.926 -4.987 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.536 4.115 -6.550 1.00 0.00 H new ATOM 381 N THR A 29 -0.960 6.188 -7.254 1.00 0.00 N ATOM 382 CA THR A 29 -2.294 5.814 -6.805 1.00 0.00 C ATOM 383 C THR A 29 -2.300 4.379 -6.288 1.00 0.00 C ATOM 384 O THR A 29 -1.284 3.687 -6.346 1.00 0.00 O ATOM 385 CB THR A 29 -3.302 5.969 -7.946 1.00 0.00 C ATOM 386 OG1 THR A 29 -4.562 5.429 -7.584 1.00 0.00 O ATOM 387 CG2 THR A 29 -2.860 5.297 -9.229 1.00 0.00 C ATOM 0 H THR A 29 -0.835 6.171 -8.266 1.00 0.00 H new ATOM 0 HA THR A 29 -2.583 6.478 -5.990 1.00 0.00 H new ATOM 0 HB THR A 29 -3.374 7.042 -8.124 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.019 5.098 -8.386 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.619 5.445 -9.997 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.918 5.732 -9.562 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.725 4.230 -9.053 1.00 0.00 H new ATOM 395 N PHE A 30 -3.448 3.936 -5.783 1.00 0.00 N ATOM 396 CA PHE A 30 -3.580 2.581 -5.256 1.00 0.00 C ATOM 397 C PHE A 30 -2.995 1.554 -6.221 1.00 0.00 C ATOM 398 O PHE A 30 -2.404 0.558 -5.802 1.00 0.00 O ATOM 399 CB PHE A 30 -5.050 2.258 -4.985 1.00 0.00 C ATOM 400 CG PHE A 30 -5.255 0.925 -4.326 1.00 0.00 C ATOM 401 CD1 PHE A 30 -5.004 0.760 -2.974 1.00 0.00 C ATOM 402 CD2 PHE A 30 -5.697 -0.164 -5.060 1.00 0.00 C ATOM 403 CE1 PHE A 30 -5.190 -0.466 -2.365 1.00 0.00 C ATOM 404 CE2 PHE A 30 -5.884 -1.392 -4.457 1.00 0.00 C ATOM 405 CZ PHE A 30 -5.631 -1.543 -3.108 1.00 0.00 C ATOM 0 H PHE A 30 -4.299 4.495 -5.728 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.022 2.531 -4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.475 3.037 -4.352 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.598 2.278 -5.927 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.659 1.600 -2.389 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.897 -0.051 -6.115 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.991 -0.582 -1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.228 -2.234 -5.040 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.778 -2.503 -2.635 1.00 0.00 H new ATOM 415 N PHE A 31 -3.158 1.806 -7.516 1.00 0.00 N ATOM 416 CA PHE A 31 -2.642 0.905 -8.540 1.00 0.00 C ATOM 417 C PHE A 31 -1.118 0.917 -8.550 1.00 0.00 C ATOM 418 O PHE A 31 -0.478 -0.133 -8.483 1.00 0.00 O ATOM 419 CB PHE A 31 -3.176 1.306 -9.917 1.00 0.00 C ATOM 420 CG PHE A 31 -4.674 1.378 -9.983 1.00 0.00 C ATOM 421 CD1 PHE A 31 -5.435 0.220 -10.042 1.00 0.00 C ATOM 422 CD2 PHE A 31 -5.323 2.602 -9.986 1.00 0.00 C ATOM 423 CE1 PHE A 31 -6.814 0.284 -10.103 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.702 2.671 -10.047 1.00 0.00 C ATOM 425 CZ PHE A 31 -7.448 1.510 -10.106 1.00 0.00 C ATOM 0 H PHE A 31 -3.643 2.626 -7.881 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.980 -0.105 -8.308 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.762 2.277 -10.190 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.822 0.589 -10.658 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.944 -0.742 -10.040 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.745 3.513 -9.940 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.395 -0.625 -10.148 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.196 3.632 -10.049 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.526 1.561 -10.154 1.00 0.00 H new ATOM 435 N GLU A 32 -0.541 2.112 -8.631 1.00 0.00 N ATOM 436 CA GLU A 32 0.909 2.263 -8.646 1.00 0.00 C ATOM 437 C GLU A 32 1.526 1.670 -7.384 1.00 0.00 C ATOM 438 O GLU A 32 2.651 1.170 -7.406 1.00 0.00 O ATOM 439 CB GLU A 32 1.288 3.740 -8.770 1.00 0.00 C ATOM 440 CG GLU A 32 1.343 4.236 -10.206 1.00 0.00 C ATOM 441 CD GLU A 32 2.570 5.081 -10.486 1.00 0.00 C ATOM 442 OE1 GLU A 32 2.718 6.143 -9.846 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.383 4.681 -11.345 1.00 0.00 O ATOM 0 H GLU A 32 -1.056 2.990 -8.687 1.00 0.00 H new ATOM 0 HA GLU A 32 1.299 1.724 -9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.566 4.339 -8.215 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.260 3.897 -8.303 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.334 3.381 -10.882 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.448 4.821 -10.419 1.00 0.00 H new ATOM 450 N LEU A 33 0.780 1.726 -6.284 1.00 0.00 N ATOM 451 CA LEU A 33 1.250 1.191 -5.012 1.00 0.00 C ATOM 452 C LEU A 33 1.258 -0.334 -5.041 1.00 0.00 C ATOM 453 O LEU A 33 2.221 -0.968 -4.608 1.00 0.00 O ATOM 454 CB LEU A 33 0.365 1.695 -3.867 1.00 0.00 C ATOM 455 CG LEU A 33 0.569 0.990 -2.522 1.00 0.00 C ATOM 456 CD1 LEU A 33 2.039 0.995 -2.133 1.00 0.00 C ATOM 457 CD2 LEU A 33 -0.273 1.654 -1.443 1.00 0.00 C ATOM 0 H LEU A 33 -0.153 2.137 -6.249 1.00 0.00 H new ATOM 0 HA LEU A 33 2.270 1.538 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.548 2.761 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.679 1.585 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 33 0.246 -0.046 -2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.164 0.490 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.619 0.475 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.390 2.024 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.117 1.142 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.021 2.699 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.326 1.597 -1.717 1.00 0.00 H new ATOM 469 N GLN A 34 0.180 -0.917 -5.555 1.00 0.00 N ATOM 470 CA GLN A 34 0.064 -2.368 -5.642 1.00 0.00 C ATOM 471 C GLN A 34 1.205 -2.955 -6.468 1.00 0.00 C ATOM 472 O GLN A 34 1.606 -4.101 -6.266 1.00 0.00 O ATOM 473 CB GLN A 34 -1.282 -2.757 -6.260 1.00 0.00 C ATOM 474 CG GLN A 34 -2.476 -2.377 -5.401 1.00 0.00 C ATOM 475 CD GLN A 34 -3.060 -3.562 -4.657 1.00 0.00 C ATOM 476 OE1 GLN A 34 -4.255 -3.844 -4.752 1.00 0.00 O ATOM 477 NE2 GLN A 34 -2.216 -4.265 -3.909 1.00 0.00 N ATOM 0 H GLN A 34 -0.626 -0.407 -5.917 1.00 0.00 H new ATOM 0 HA GLN A 34 0.123 -2.774 -4.632 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.378 -2.277 -7.234 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.296 -3.833 -6.432 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.174 -1.615 -4.683 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.246 -1.933 -6.032 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.233 -3.996 -3.859 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.551 -5.074 -3.385 1.00 0.00 H new ATOM 486 N GLU A 35 1.725 -2.159 -7.398 1.00 0.00 N ATOM 487 CA GLU A 35 2.821 -2.597 -8.253 1.00 0.00 C ATOM 488 C GLU A 35 4.161 -2.484 -7.529 1.00 0.00 C ATOM 489 O GLU A 35 5.112 -3.192 -7.856 1.00 0.00 O ATOM 490 CB GLU A 35 2.853 -1.769 -9.540 1.00 0.00 C ATOM 491 CG GLU A 35 3.932 -2.206 -10.518 1.00 0.00 C ATOM 492 CD GLU A 35 3.376 -2.552 -11.886 1.00 0.00 C ATOM 493 OE1 GLU A 35 2.897 -3.693 -12.061 1.00 0.00 O ATOM 494 OE2 GLU A 35 3.417 -1.683 -12.781 1.00 0.00 O ATOM 0 H GLU A 35 1.404 -1.208 -7.578 1.00 0.00 H new ATOM 0 HA GLU A 35 2.654 -3.644 -8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.882 -1.836 -10.030 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.009 -0.721 -9.284 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.668 -1.409 -10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.455 -3.072 -10.113 1.00 0.00 H new ATOM 501 N SER A 36 4.227 -1.590 -6.546 1.00 0.00 N ATOM 502 CA SER A 36 5.451 -1.389 -5.778 1.00 0.00 C ATOM 503 C SER A 36 5.694 -2.560 -4.834 1.00 0.00 C ATOM 504 O SER A 36 6.768 -3.161 -4.838 1.00 0.00 O ATOM 505 CB SER A 36 5.369 -0.084 -4.982 1.00 0.00 C ATOM 506 OG SER A 36 5.803 1.017 -5.761 1.00 0.00 O ATOM 0 H SER A 36 3.449 -0.995 -6.263 1.00 0.00 H new ATOM 0 HA SER A 36 6.286 -1.328 -6.476 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.343 0.081 -4.653 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.983 -0.163 -4.084 1.00 0.00 H new ATOM 0 HG SER A 36 6.460 1.538 -5.254 1.00 0.00 H new ATOM 512 N ILE A 37 4.687 -2.883 -4.028 1.00 0.00 N ATOM 513 CA ILE A 37 4.790 -3.987 -3.082 1.00 0.00 C ATOM 514 C ILE A 37 5.107 -5.290 -3.804 1.00 0.00 C ATOM 515 O ILE A 37 5.876 -6.115 -3.311 1.00 0.00 O ATOM 516 CB ILE A 37 3.486 -4.162 -2.277 1.00 0.00 C ATOM 517 CG1 ILE A 37 3.077 -2.838 -1.629 1.00 0.00 C ATOM 518 CG2 ILE A 37 3.651 -5.248 -1.225 1.00 0.00 C ATOM 519 CD1 ILE A 37 1.615 -2.499 -1.820 1.00 0.00 C ATOM 0 H ILE A 37 3.791 -2.396 -4.012 1.00 0.00 H new ATOM 0 HA ILE A 37 5.600 -3.745 -2.394 1.00 0.00 H new ATOM 0 HB ILE A 37 2.694 -4.467 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.295 -2.882 -0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.685 -2.035 -2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.721 -5.358 -0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.896 -6.192 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.454 -4.973 -0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.396 -1.548 -1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.395 -2.422 -2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.999 -3.282 -1.378 1.00 0.00 H new ATOM 531 N ALA A 38 4.513 -5.464 -4.979 1.00 0.00 N ATOM 532 CA ALA A 38 4.734 -6.661 -5.776 1.00 0.00 C ATOM 533 C ALA A 38 6.213 -6.832 -6.115 1.00 0.00 C ATOM 534 O ALA A 38 6.654 -7.925 -6.470 1.00 0.00 O ATOM 535 CB ALA A 38 3.897 -6.611 -7.045 1.00 0.00 C ATOM 0 H ALA A 38 3.874 -4.789 -5.400 1.00 0.00 H new ATOM 0 HA ALA A 38 4.425 -7.524 -5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.072 -7.513 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.841 -6.548 -6.782 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.177 -5.736 -7.632 1.00 0.00 H new ATOM 541 N ARG A 39 6.977 -5.747 -5.999 1.00 0.00 N ATOM 542 CA ARG A 39 8.406 -5.786 -6.289 1.00 0.00 C ATOM 543 C ARG A 39 9.199 -6.104 -5.029 1.00 0.00 C ATOM 544 O ARG A 39 10.065 -6.980 -5.029 1.00 0.00 O ATOM 545 CB ARG A 39 8.875 -4.450 -6.873 1.00 0.00 C ATOM 546 CG ARG A 39 7.849 -3.776 -7.771 1.00 0.00 C ATOM 547 CD ARG A 39 8.519 -2.938 -8.847 1.00 0.00 C ATOM 548 NE ARG A 39 7.694 -2.825 -10.047 1.00 0.00 N ATOM 549 CZ ARG A 39 8.162 -2.453 -11.237 1.00 0.00 C ATOM 550 NH1 ARG A 39 9.447 -2.159 -11.390 1.00 0.00 N ATOM 551 NH2 ARG A 39 7.343 -2.378 -12.277 1.00 0.00 N ATOM 0 H ARG A 39 6.630 -4.833 -5.707 1.00 0.00 H new ATOM 0 HA ARG A 39 8.580 -6.572 -7.024 1.00 0.00 H new ATOM 0 HB2 ARG A 39 9.126 -3.775 -6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.790 -4.615 -7.443 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.218 -4.533 -8.237 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.196 -3.144 -7.169 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.726 -1.942 -8.454 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.479 -3.384 -9.108 1.00 0.00 H new ATOM 0 HE ARG A 39 6.701 -3.044 -9.969 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.082 -2.217 -10.594 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.800 -1.875 -12.304 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.355 -2.605 -12.165 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.701 -2.093 -13.189 1.00 0.00 H new ATOM 565 N GLU A 40 8.898 -5.382 -3.956 1.00 0.00 N ATOM 566 CA GLU A 40 9.578 -5.577 -2.682 1.00 0.00 C ATOM 567 C GLU A 40 9.306 -6.969 -2.120 1.00 0.00 C ATOM 568 O GLU A 40 10.115 -7.514 -1.369 1.00 0.00 O ATOM 569 CB GLU A 40 9.134 -4.512 -1.677 1.00 0.00 C ATOM 570 CG GLU A 40 10.188 -3.451 -1.411 1.00 0.00 C ATOM 571 CD GLU A 40 10.634 -2.742 -2.674 1.00 0.00 C ATOM 572 OE1 GLU A 40 9.878 -2.771 -3.669 1.00 0.00 O ATOM 573 OE2 GLU A 40 11.737 -2.156 -2.669 1.00 0.00 O ATOM 0 H GLU A 40 8.184 -4.653 -3.944 1.00 0.00 H new ATOM 0 HA GLU A 40 10.650 -5.482 -2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.230 -4.029 -2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.874 -4.998 -0.737 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.791 -2.718 -0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.052 -3.914 -0.934 1.00 0.00 H new ATOM 580 N PHE A 41 8.159 -7.537 -2.479 1.00 0.00 N ATOM 581 CA PHE A 41 7.782 -8.861 -2.000 1.00 0.00 C ATOM 582 C PHE A 41 7.437 -9.789 -3.161 1.00 0.00 C ATOM 583 O PHE A 41 7.679 -9.460 -4.323 1.00 0.00 O ATOM 584 CB PHE A 41 6.599 -8.750 -1.039 1.00 0.00 C ATOM 585 CG PHE A 41 6.818 -7.744 0.054 1.00 0.00 C ATOM 586 CD1 PHE A 41 6.495 -6.410 -0.136 1.00 0.00 C ATOM 587 CD2 PHE A 41 7.353 -8.131 1.272 1.00 0.00 C ATOM 588 CE1 PHE A 41 6.699 -5.483 0.867 1.00 0.00 C ATOM 589 CE2 PHE A 41 7.560 -7.209 2.279 1.00 0.00 C ATOM 590 CZ PHE A 41 7.233 -5.883 2.077 1.00 0.00 C ATOM 0 H PHE A 41 7.476 -7.102 -3.099 1.00 0.00 H new ATOM 0 HA PHE A 41 8.634 -9.289 -1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.706 -8.477 -1.602 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.409 -9.726 -0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.079 -6.091 -1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.611 -9.167 1.436 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.441 -4.447 0.706 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.977 -7.525 3.224 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.394 -5.160 2.863 1.00 0.00 H new ATOM 600 N ASN A 42 6.883 -10.955 -2.839 1.00 0.00 N ATOM 601 CA ASN A 42 6.519 -11.933 -3.859 1.00 0.00 C ATOM 602 C ASN A 42 5.005 -12.117 -3.943 1.00 0.00 C ATOM 603 O ASN A 42 4.507 -13.243 -3.964 1.00 0.00 O ATOM 604 CB ASN A 42 7.192 -13.276 -3.565 1.00 0.00 C ATOM 605 CG ASN A 42 8.565 -13.385 -4.200 1.00 0.00 C ATOM 606 OD1 ASN A 42 9.405 -12.383 -3.968 1.00 0.00 O flip ATOM 607 ND2 ASN A 42 8.867 -14.358 -4.890 1.00 0.00 N flip ATOM 0 H ASN A 42 6.677 -11.245 -1.883 1.00 0.00 H new ATOM 0 HA ASN A 42 6.867 -11.556 -4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.282 -13.406 -2.487 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.560 -14.084 -3.932 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.190 -15.105 -5.042 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.795 -14.417 -5.310 1.00 0.00 H new ATOM 614 N ILE A 43 4.276 -11.007 -4.004 1.00 0.00 N ATOM 615 CA ILE A 43 2.823 -11.057 -4.101 1.00 0.00 C ATOM 616 C ILE A 43 2.321 -10.109 -5.189 1.00 0.00 C ATOM 617 O ILE A 43 2.765 -8.966 -5.281 1.00 0.00 O ATOM 618 CB ILE A 43 2.147 -10.699 -2.763 1.00 0.00 C ATOM 619 CG1 ILE A 43 2.706 -11.567 -1.636 1.00 0.00 C ATOM 620 CG2 ILE A 43 0.637 -10.868 -2.868 1.00 0.00 C ATOM 621 CD1 ILE A 43 3.674 -10.835 -0.737 1.00 0.00 C ATOM 0 H ILE A 43 4.667 -10.065 -3.988 1.00 0.00 H new ATOM 0 HA ILE A 43 2.557 -12.082 -4.358 1.00 0.00 H new ATOM 0 HB ILE A 43 2.361 -9.655 -2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.879 -11.945 -1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.208 -12.432 -2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.175 -10.611 -1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.251 -10.211 -3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.403 -11.903 -3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.031 -11.511 0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.520 -10.480 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.171 -9.985 -0.276 1.00 0.00 H new ATOM 633 N PRO A 44 1.386 -10.577 -6.030 1.00 0.00 N ATOM 634 CA PRO A 44 0.827 -9.769 -7.118 1.00 0.00 C ATOM 635 C PRO A 44 -0.083 -8.655 -6.608 1.00 0.00 C ATOM 636 O PRO A 44 -0.486 -8.654 -5.444 1.00 0.00 O ATOM 637 CB PRO A 44 0.028 -10.782 -7.939 1.00 0.00 C ATOM 638 CG PRO A 44 -0.329 -11.860 -6.975 1.00 0.00 C ATOM 639 CD PRO A 44 0.805 -11.930 -5.988 1.00 0.00 C ATOM 0 HA PRO A 44 1.605 -9.259 -7.687 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.863 -10.326 -8.370 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.619 -11.173 -8.768 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.270 -11.637 -6.472 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.459 -12.813 -7.487 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.451 -12.183 -4.989 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.535 -12.689 -6.270 1.00 0.00 H new ATOM 647 N PRO A 45 -0.414 -7.683 -7.475 1.00 0.00 N ATOM 648 CA PRO A 45 -1.276 -6.554 -7.106 1.00 0.00 C ATOM 649 C PRO A 45 -2.705 -6.983 -6.779 1.00 0.00 C ATOM 650 O PRO A 45 -3.441 -6.254 -6.115 1.00 0.00 O ATOM 651 CB PRO A 45 -1.259 -5.665 -8.354 1.00 0.00 C ATOM 652 CG PRO A 45 -0.897 -6.580 -9.472 1.00 0.00 C ATOM 653 CD PRO A 45 0.025 -7.607 -8.879 1.00 0.00 C ATOM 0 HA PRO A 45 -0.919 -6.056 -6.204 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.231 -5.201 -8.522 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.534 -4.857 -8.254 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.785 -7.050 -9.896 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.408 -6.036 -10.280 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.067 -8.569 -9.382 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.069 -7.304 -8.959 1.00 0.00 H new ATOM 661 N TYR A 46 -3.096 -8.165 -7.249 1.00 0.00 N ATOM 662 CA TYR A 46 -4.442 -8.671 -6.999 1.00 0.00 C ATOM 663 C TYR A 46 -4.481 -9.590 -5.778 1.00 0.00 C ATOM 664 O TYR A 46 -5.483 -10.262 -5.530 1.00 0.00 O ATOM 665 CB TYR A 46 -4.974 -9.410 -8.231 1.00 0.00 C ATOM 666 CG TYR A 46 -4.230 -10.687 -8.546 1.00 0.00 C ATOM 667 CD1 TYR A 46 -3.085 -10.671 -9.332 1.00 0.00 C ATOM 668 CD2 TYR A 46 -4.675 -11.910 -8.059 1.00 0.00 C ATOM 669 CE1 TYR A 46 -2.403 -11.837 -9.624 1.00 0.00 C ATOM 670 CE2 TYR A 46 -3.997 -13.081 -8.346 1.00 0.00 C ATOM 671 CZ TYR A 46 -2.863 -13.038 -9.129 1.00 0.00 C ATOM 672 OH TYR A 46 -2.187 -14.201 -9.418 1.00 0.00 O ATOM 0 H TYR A 46 -2.504 -8.786 -7.801 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.082 -7.813 -6.793 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.027 -9.643 -8.076 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.918 -8.746 -9.094 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.722 -9.732 -9.722 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.564 -11.947 -7.447 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.514 -11.807 -10.237 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.354 -14.024 -7.959 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.641 -14.958 -8.992 1.00 0.00 H new ATOM 682 N LEU A 47 -3.391 -9.615 -5.013 1.00 0.00 N ATOM 683 CA LEU A 47 -3.315 -10.449 -3.817 1.00 0.00 C ATOM 684 C LEU A 47 -2.674 -9.695 -2.652 1.00 0.00 C ATOM 685 O LEU A 47 -2.404 -10.280 -1.605 1.00 0.00 O ATOM 686 CB LEU A 47 -2.516 -11.723 -4.102 1.00 0.00 C ATOM 687 CG LEU A 47 -3.192 -12.716 -5.045 1.00 0.00 C ATOM 688 CD1 LEU A 47 -2.293 -13.918 -5.289 1.00 0.00 C ATOM 689 CD2 LEU A 47 -4.533 -13.158 -4.480 1.00 0.00 C ATOM 0 H LEU A 47 -2.551 -9.068 -5.200 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.335 -10.715 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.552 -11.441 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.313 -12.225 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.367 -12.220 -5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.792 -14.614 -5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.356 -13.587 -5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.086 -14.416 -4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.001 -13.865 -5.165 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.380 -13.636 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.180 -12.290 -4.357 1.00 0.00 H new ATOM 701 N GLN A 48 -2.434 -8.399 -2.835 1.00 0.00 N ATOM 702 CA GLN A 48 -1.825 -7.591 -1.788 1.00 0.00 C ATOM 703 C GLN A 48 -2.834 -6.618 -1.191 1.00 0.00 C ATOM 704 O GLN A 48 -3.263 -5.670 -1.849 1.00 0.00 O ATOM 705 CB GLN A 48 -0.625 -6.821 -2.342 1.00 0.00 C ATOM 706 CG GLN A 48 0.548 -7.712 -2.717 1.00 0.00 C ATOM 707 CD GLN A 48 1.653 -6.960 -3.435 1.00 0.00 C ATOM 708 OE1 GLN A 48 2.826 -7.078 -3.084 1.00 0.00 O ATOM 709 NE2 GLN A 48 1.284 -6.185 -4.449 1.00 0.00 N ATOM 0 H GLN A 48 -2.651 -7.891 -3.693 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.486 -8.263 -0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.939 -6.259 -3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.296 -6.094 -1.599 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.953 -8.170 -1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.193 -8.522 -3.354 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.299 -6.116 -4.706 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.985 -5.659 -4.970 1.00 0.00 H new ATOM 718 N CYS A 49 -3.199 -6.853 0.063 1.00 0.00 N ATOM 719 CA CYS A 49 -4.144 -5.991 0.759 1.00 0.00 C ATOM 720 C CYS A 49 -3.399 -5.091 1.738 1.00 0.00 C ATOM 721 O CYS A 49 -2.968 -5.539 2.800 1.00 0.00 O ATOM 722 CB CYS A 49 -5.192 -6.832 1.492 1.00 0.00 C ATOM 723 SG CYS A 49 -6.312 -5.878 2.546 1.00 0.00 S ATOM 0 H CYS A 49 -2.854 -7.635 0.619 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.658 -5.366 0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.782 -7.378 0.756 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.681 -7.575 2.104 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.618 -5.117 3.339 1.00 0.00 H new ATOM 729 N ILE A 50 -3.238 -3.826 1.358 1.00 0.00 N ATOM 730 CA ILE A 50 -2.526 -2.857 2.185 1.00 0.00 C ATOM 731 C ILE A 50 -3.380 -2.365 3.349 1.00 0.00 C ATOM 732 O ILE A 50 -4.610 -2.398 3.293 1.00 0.00 O ATOM 733 CB ILE A 50 -2.075 -1.640 1.352 1.00 0.00 C ATOM 734 CG1 ILE A 50 -1.330 -2.098 0.095 1.00 0.00 C ATOM 735 CG2 ILE A 50 -1.198 -0.721 2.188 1.00 0.00 C ATOM 736 CD1 ILE A 50 -1.708 -1.321 -1.148 1.00 0.00 C ATOM 0 H ILE A 50 -3.592 -3.448 0.480 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.653 -3.375 2.582 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.960 -1.084 1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.257 -2.001 0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.532 -3.156 -0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.888 0.133 1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.760 -0.370 3.053 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.317 -1.267 2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.142 -1.699 -1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.774 -1.438 -1.340 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.480 -0.265 -1.001 1.00 0.00 H new ATOM 748 N ARG A 51 -2.710 -1.899 4.399 1.00 0.00 N ATOM 749 CA ARG A 51 -3.388 -1.385 5.584 1.00 0.00 C ATOM 750 C ARG A 51 -2.574 -0.263 6.223 1.00 0.00 C ATOM 751 O ARG A 51 -1.355 -0.366 6.355 1.00 0.00 O ATOM 752 CB ARG A 51 -3.617 -2.508 6.597 1.00 0.00 C ATOM 753 CG ARG A 51 -4.415 -3.677 6.042 1.00 0.00 C ATOM 754 CD ARG A 51 -5.253 -4.343 7.120 1.00 0.00 C ATOM 755 NE ARG A 51 -6.159 -5.348 6.568 1.00 0.00 N ATOM 756 CZ ARG A 51 -6.948 -6.121 7.309 1.00 0.00 C ATOM 757 NH1 ARG A 51 -6.948 -6.008 8.631 1.00 0.00 N ATOM 758 NH2 ARG A 51 -7.743 -7.009 6.727 1.00 0.00 N ATOM 0 H ARG A 51 -1.692 -1.867 4.453 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.355 -0.985 5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.651 -2.872 6.947 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.138 -2.103 7.464 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.064 -3.327 5.240 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.735 -4.408 5.605 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.595 -4.811 7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.831 -3.585 7.649 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.188 -5.463 5.555 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.341 -5.325 9.085 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.555 -6.604 9.194 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.749 -7.099 5.711 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.348 -7.602 7.295 1.00 0.00 H new ATOM 772 N TYR A 52 -3.253 0.813 6.611 1.00 0.00 N ATOM 773 CA TYR A 52 -2.585 1.955 7.228 1.00 0.00 C ATOM 774 C TYR A 52 -3.439 2.567 8.334 1.00 0.00 C ATOM 775 O TYR A 52 -4.632 2.285 8.444 1.00 0.00 O ATOM 776 CB TYR A 52 -2.271 3.017 6.172 1.00 0.00 C ATOM 777 CG TYR A 52 -3.501 3.652 5.564 1.00 0.00 C ATOM 778 CD1 TYR A 52 -4.372 2.911 4.775 1.00 0.00 C ATOM 779 CD2 TYR A 52 -3.792 4.994 5.778 1.00 0.00 C ATOM 780 CE1 TYR A 52 -5.497 3.488 4.216 1.00 0.00 C ATOM 781 CE2 TYR A 52 -4.915 5.578 5.224 1.00 0.00 C ATOM 782 CZ TYR A 52 -5.764 4.821 4.445 1.00 0.00 C ATOM 783 OH TYR A 52 -6.883 5.399 3.890 1.00 0.00 O ATOM 0 H TYR A 52 -4.262 0.918 6.510 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.656 1.597 7.672 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.657 3.796 6.624 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.677 2.563 5.378 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.167 1.866 4.595 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.129 5.590 6.388 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.163 2.898 3.604 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.127 6.622 5.400 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.926 6.343 4.149 1.00 0.00 H new ATOM 793 N GLY A 53 -2.817 3.418 9.146 1.00 0.00 N ATOM 794 CA GLY A 53 -3.526 4.073 10.230 1.00 0.00 C ATOM 795 C GLY A 53 -4.011 3.105 11.292 1.00 0.00 C ATOM 796 O GLY A 53 -4.051 1.895 11.070 1.00 0.00 O ATOM 0 H GLY A 53 -1.830 3.666 9.071 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.870 4.811 10.692 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.380 4.615 9.823 1.00 0.00 H new ATOM 800 N PHE A 54 -4.385 3.645 12.448 1.00 0.00 N ATOM 801 CA PHE A 54 -4.877 2.831 13.554 1.00 0.00 C ATOM 802 C PHE A 54 -6.308 3.233 13.923 1.00 0.00 C ATOM 803 O PHE A 54 -6.558 4.388 14.264 1.00 0.00 O ATOM 804 CB PHE A 54 -3.965 2.988 14.773 1.00 0.00 C ATOM 805 CG PHE A 54 -4.277 2.023 15.882 1.00 0.00 C ATOM 806 CD1 PHE A 54 -4.065 0.664 15.714 1.00 0.00 C ATOM 807 CD2 PHE A 54 -4.784 2.474 17.089 1.00 0.00 C ATOM 808 CE1 PHE A 54 -4.352 -0.227 16.731 1.00 0.00 C ATOM 809 CE2 PHE A 54 -5.073 1.589 18.110 1.00 0.00 C ATOM 810 CZ PHE A 54 -4.857 0.236 17.930 1.00 0.00 C ATOM 0 H PHE A 54 -4.356 4.646 12.643 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.876 1.788 13.238 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.929 2.850 14.462 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.051 4.006 15.153 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.671 0.297 14.778 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.956 3.530 17.234 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.182 -1.284 16.588 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.467 1.954 19.047 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.083 -0.458 18.726 1.00 0.00 H new ATOM 820 N PRO A 55 -7.274 2.294 13.856 1.00 0.00 N ATOM 821 CA PRO A 55 -7.035 0.899 13.456 1.00 0.00 C ATOM 822 C PRO A 55 -6.592 0.779 11.998 1.00 0.00 C ATOM 823 O PRO A 55 -6.765 1.707 11.208 1.00 0.00 O ATOM 824 CB PRO A 55 -8.398 0.218 13.654 1.00 0.00 C ATOM 825 CG PRO A 55 -9.185 1.152 14.507 1.00 0.00 C ATOM 826 CD PRO A 55 -8.688 2.528 14.178 1.00 0.00 C ATOM 0 HA PRO A 55 -6.233 0.448 14.040 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.894 0.046 12.699 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.286 -0.754 14.135 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.252 1.063 14.302 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.044 0.928 15.564 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.228 2.963 13.337 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.804 3.212 15.019 1.00 0.00 H new ATOM 834 N PRO A 56 -6.009 -0.374 11.627 1.00 0.00 N ATOM 835 CA PRO A 56 -5.537 -0.618 10.264 1.00 0.00 C ATOM 836 C PRO A 56 -6.683 -0.769 9.274 1.00 0.00 C ATOM 837 O PRO A 56 -7.579 -1.592 9.462 1.00 0.00 O ATOM 838 CB PRO A 56 -4.757 -1.928 10.382 1.00 0.00 C ATOM 839 CG PRO A 56 -5.355 -2.618 11.557 1.00 0.00 C ATOM 840 CD PRO A 56 -5.766 -1.528 12.508 1.00 0.00 C ATOM 0 HA PRO A 56 -4.941 0.213 9.887 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.854 -2.529 9.478 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.693 -1.744 10.530 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.213 -3.222 11.261 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.636 -3.292 12.022 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.661 -1.801 13.068 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.985 -1.317 13.238 1.00 0.00 H new ATOM 848 N LYS A 57 -6.642 0.031 8.220 1.00 0.00 N ATOM 849 CA LYS A 57 -7.671 -0.003 7.189 1.00 0.00 C ATOM 850 C LYS A 57 -7.315 -1.018 6.110 1.00 0.00 C ATOM 851 O LYS A 57 -6.247 -1.629 6.147 1.00 0.00 O ATOM 852 CB LYS A 57 -7.844 1.383 6.565 1.00 0.00 C ATOM 853 CG LYS A 57 -8.391 2.421 7.531 1.00 0.00 C ATOM 854 CD LYS A 57 -8.184 3.832 7.006 1.00 0.00 C ATOM 855 CE LYS A 57 -9.377 4.305 6.192 1.00 0.00 C ATOM 856 NZ LYS A 57 -9.657 5.752 6.405 1.00 0.00 N ATOM 0 H LYS A 57 -5.904 0.715 8.055 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.611 -0.302 7.653 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.881 1.724 6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.515 1.306 5.709 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.454 2.244 7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.899 2.315 8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.020 4.512 7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.286 3.864 6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.189 4.124 5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.256 3.721 6.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.478 6.035 5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.862 5.922 7.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.828 6.312 6.121 1.00 0.00 H new ATOM 870 N GLU A 58 -8.215 -1.199 5.151 1.00 0.00 N ATOM 871 CA GLU A 58 -7.992 -2.145 4.064 1.00 0.00 C ATOM 872 C GLU A 58 -7.461 -1.441 2.816 1.00 0.00 C ATOM 873 O GLU A 58 -6.931 -2.084 1.912 1.00 0.00 O ATOM 874 CB GLU A 58 -9.291 -2.882 3.733 1.00 0.00 C ATOM 875 CG GLU A 58 -9.122 -3.972 2.686 1.00 0.00 C ATOM 876 CD GLU A 58 -9.370 -5.361 3.243 1.00 0.00 C ATOM 877 OE1 GLU A 58 -9.084 -5.579 4.439 1.00 0.00 O ATOM 878 OE2 GLU A 58 -9.850 -6.228 2.484 1.00 0.00 O ATOM 0 H GLU A 58 -9.105 -0.704 5.104 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.242 -2.864 4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.690 -3.325 4.645 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.028 -2.161 3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.810 -3.788 1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.113 -3.924 2.277 1.00 0.00 H new ATOM 885 N LEU A 59 -7.612 -0.118 2.769 1.00 0.00 N ATOM 886 CA LEU A 59 -7.154 0.669 1.625 1.00 0.00 C ATOM 887 C LEU A 59 -7.599 0.034 0.313 1.00 0.00 C ATOM 888 O LEU A 59 -6.917 -0.834 -0.231 1.00 0.00 O ATOM 889 CB LEU A 59 -5.630 0.809 1.642 1.00 0.00 C ATOM 890 CG LEU A 59 -5.055 1.772 0.598 1.00 0.00 C ATOM 891 CD1 LEU A 59 -5.852 3.068 0.566 1.00 0.00 C ATOM 892 CD2 LEU A 59 -3.590 2.052 0.889 1.00 0.00 C ATOM 0 H LEU A 59 -8.048 0.431 3.510 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.602 1.660 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.322 1.145 2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.188 -0.176 1.488 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.130 1.303 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.427 3.738 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.889 2.851 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.811 3.545 1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.195 2.737 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.495 2.501 1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.028 1.118 0.859 1.00 0.00 H new ATOM 904 N MET A 60 -8.749 0.467 -0.186 1.00 0.00 N ATOM 905 CA MET A 60 -9.286 -0.064 -1.427 1.00 0.00 C ATOM 906 C MET A 60 -8.890 0.805 -2.614 1.00 0.00 C ATOM 907 O MET A 60 -8.410 1.926 -2.444 1.00 0.00 O ATOM 908 CB MET A 60 -10.806 -0.173 -1.335 1.00 0.00 C ATOM 909 CG MET A 60 -11.267 -1.026 -0.169 1.00 0.00 C ATOM 910 SD MET A 60 -12.979 -1.567 -0.335 1.00 0.00 S ATOM 911 CE MET A 60 -12.769 -3.346 -0.375 1.00 0.00 C ATOM 0 H MET A 60 -9.327 1.185 0.251 1.00 0.00 H new ATOM 0 HA MET A 60 -8.865 -1.057 -1.583 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.232 0.826 -1.239 1.00 0.00 H new ATOM 0 HB3 MET A 60 -11.192 -0.596 -2.263 1.00 0.00 H new ATOM 0 HG2 MET A 60 -10.621 -1.900 -0.086 1.00 0.00 H new ATOM 0 HG3 MET A 60 -11.158 -0.459 0.756 1.00 0.00 H new ATOM 0 HE1 MET A 60 -13.743 -3.825 -0.475 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.141 -3.619 -1.223 1.00 0.00 H new ATOM 0 HE3 MET A 60 -12.295 -3.677 0.549 1.00 0.00 H new ATOM 921 N PRO A 61 -9.087 0.293 -3.837 1.00 0.00 N ATOM 922 CA PRO A 61 -8.751 1.015 -5.062 1.00 0.00 C ATOM 923 C PRO A 61 -9.685 2.194 -5.308 1.00 0.00 C ATOM 924 O PRO A 61 -10.852 2.167 -4.916 1.00 0.00 O ATOM 925 CB PRO A 61 -8.913 -0.036 -6.174 1.00 0.00 C ATOM 926 CG PRO A 61 -9.098 -1.346 -5.476 1.00 0.00 C ATOM 927 CD PRO A 61 -9.651 -1.030 -4.120 1.00 0.00 C ATOM 0 HA PRO A 61 -7.749 1.442 -5.014 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.770 0.194 -6.807 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.036 -0.059 -6.821 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.779 -1.990 -6.033 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.151 -1.879 -5.394 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.741 -1.013 -4.122 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.345 -1.767 -3.377 1.00 0.00 H new ATOM 935 N PRO A 62 -9.178 3.249 -5.964 1.00 0.00 N ATOM 936 CA PRO A 62 -9.968 4.444 -6.264 1.00 0.00 C ATOM 937 C PRO A 62 -11.050 4.178 -7.303 1.00 0.00 C ATOM 938 O PRO A 62 -11.294 3.033 -7.683 1.00 0.00 O ATOM 939 CB PRO A 62 -8.936 5.427 -6.813 1.00 0.00 C ATOM 940 CG PRO A 62 -7.832 4.578 -7.337 1.00 0.00 C ATOM 941 CD PRO A 62 -7.796 3.357 -6.464 1.00 0.00 C ATOM 0 HA PRO A 62 -10.499 4.809 -5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.363 6.048 -7.600 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.579 6.100 -6.034 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.009 4.308 -8.378 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.881 5.110 -7.303 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.502 2.470 -7.026 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.082 3.468 -5.648 1.00 0.00 H new ATOM 949 N GLN A 63 -11.696 5.246 -7.758 1.00 0.00 N ATOM 950 CA GLN A 63 -12.751 5.131 -8.756 1.00 0.00 C ATOM 951 C GLN A 63 -12.588 6.192 -9.841 1.00 0.00 C ATOM 952 O GLN A 63 -11.590 6.911 -9.875 1.00 0.00 O ATOM 953 CB GLN A 63 -14.124 5.263 -8.094 1.00 0.00 C ATOM 954 CG GLN A 63 -14.831 3.933 -7.890 1.00 0.00 C ATOM 955 CD GLN A 63 -15.697 3.916 -6.645 1.00 0.00 C ATOM 956 OE1 GLN A 63 -15.673 2.959 -5.872 1.00 0.00 O ATOM 957 NE2 GLN A 63 -16.467 4.979 -6.445 1.00 0.00 N ATOM 0 H GLN A 63 -11.507 6.200 -7.451 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.675 4.148 -9.221 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.007 5.755 -7.128 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.753 5.909 -8.706 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.450 3.718 -8.761 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.088 3.138 -7.822 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.455 5.750 -7.112 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.070 5.024 -5.624 1.00 0.00 H new ATOM 966 N ALA A 64 -13.576 6.282 -10.726 1.00 0.00 N ATOM 967 CA ALA A 64 -13.542 7.254 -11.813 1.00 0.00 C ATOM 968 C ALA A 64 -13.400 8.674 -11.277 1.00 0.00 C ATOM 969 O ALA A 64 -14.394 9.342 -10.989 1.00 0.00 O ATOM 970 CB ALA A 64 -14.794 7.133 -12.667 1.00 0.00 C ATOM 0 H ALA A 64 -14.409 5.694 -10.712 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.671 7.040 -12.432 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.756 7.864 -13.475 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.851 6.129 -13.089 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.674 7.319 -12.051 1.00 0.00 H new ATOM 976 N GLY A 65 -12.158 9.132 -11.146 1.00 0.00 N ATOM 977 CA GLY A 65 -11.911 10.472 -10.644 1.00 0.00 C ATOM 978 C GLY A 65 -10.819 10.505 -9.594 1.00 0.00 C ATOM 979 O GLY A 65 -10.137 11.517 -9.429 1.00 0.00 O ATOM 0 H GLY A 65 -11.319 8.600 -11.378 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.633 11.122 -11.474 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.831 10.873 -10.219 1.00 0.00 H new ATOM 983 N MET A 66 -10.654 9.397 -8.878 1.00 0.00 N ATOM 984 CA MET A 66 -9.637 9.305 -7.837 1.00 0.00 C ATOM 985 C MET A 66 -8.449 8.458 -8.294 1.00 0.00 C ATOM 986 O MET A 66 -7.398 8.452 -7.651 1.00 0.00 O ATOM 987 CB MET A 66 -10.238 8.711 -6.561 1.00 0.00 C ATOM 988 CG MET A 66 -10.926 9.739 -5.677 1.00 0.00 C ATOM 989 SD MET A 66 -10.756 9.370 -3.921 1.00 0.00 S ATOM 990 CE MET A 66 -12.472 9.346 -3.411 1.00 0.00 C ATOM 0 H MET A 66 -11.211 8.551 -9.000 1.00 0.00 H new ATOM 0 HA MET A 66 -9.278 10.313 -7.632 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.957 7.939 -6.833 1.00 0.00 H new ATOM 0 HB3 MET A 66 -9.448 8.223 -5.990 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.507 10.725 -5.879 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.984 9.783 -5.934 1.00 0.00 H new ATOM 0 HE1 MET A 66 -12.532 9.130 -2.344 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.924 10.318 -3.610 1.00 0.00 H new ATOM 0 HE3 MET A 66 -13.006 8.576 -3.968 1.00 0.00 H new ATOM 1000 N GLU A 67 -8.616 7.746 -9.406 1.00 0.00 N ATOM 1001 CA GLU A 67 -7.553 6.901 -9.941 1.00 0.00 C ATOM 1002 C GLU A 67 -6.268 7.698 -10.150 1.00 0.00 C ATOM 1003 O GLU A 67 -5.171 7.141 -10.131 1.00 0.00 O ATOM 1004 CB GLU A 67 -7.995 6.269 -11.263 1.00 0.00 C ATOM 1005 CG GLU A 67 -8.428 7.285 -12.308 1.00 0.00 C ATOM 1006 CD GLU A 67 -8.855 6.635 -13.609 1.00 0.00 C ATOM 1007 OE1 GLU A 67 -9.608 5.639 -13.557 1.00 0.00 O ATOM 1008 OE2 GLU A 67 -8.437 7.122 -14.680 1.00 0.00 O ATOM 0 H GLU A 67 -9.477 7.738 -9.953 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.352 6.113 -9.215 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.174 5.675 -11.664 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.820 5.584 -11.071 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.254 7.877 -11.914 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.606 7.974 -12.503 1.00 0.00 H new ATOM 1015 N LYS A 68 -6.411 9.005 -10.351 1.00 0.00 N ATOM 1016 CA LYS A 68 -5.261 9.876 -10.562 1.00 0.00 C ATOM 1017 C LYS A 68 -4.696 10.384 -9.236 1.00 0.00 C ATOM 1018 O LYS A 68 -3.595 10.933 -9.192 1.00 0.00 O ATOM 1019 CB LYS A 68 -5.650 11.062 -11.449 1.00 0.00 C ATOM 1020 CG LYS A 68 -6.923 11.761 -11.004 1.00 0.00 C ATOM 1021 CD LYS A 68 -6.860 13.257 -11.271 1.00 0.00 C ATOM 1022 CE LYS A 68 -7.533 14.049 -10.163 1.00 0.00 C ATOM 1023 NZ LYS A 68 -7.568 15.506 -10.464 1.00 0.00 N ATOM 0 H LYS A 68 -7.312 9.483 -10.372 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.488 9.291 -11.060 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.833 11.783 -11.456 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.776 10.713 -12.474 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.777 11.332 -11.528 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.082 11.587 -9.940 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.819 13.568 -11.361 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.343 13.478 -12.223 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.550 13.683 -10.022 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.002 13.885 -9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.035 16.011 -9.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.597 15.861 -10.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.097 15.666 -11.345 1.00 0.00 H new ATOM 1037 N GLU A 69 -5.452 10.198 -8.156 1.00 0.00 N ATOM 1038 CA GLU A 69 -5.025 10.635 -6.840 1.00 0.00 C ATOM 1039 C GLU A 69 -4.070 9.611 -6.222 1.00 0.00 C ATOM 1040 O GLU A 69 -4.275 8.404 -6.350 1.00 0.00 O ATOM 1041 CB GLU A 69 -6.259 10.845 -5.951 1.00 0.00 C ATOM 1042 CG GLU A 69 -5.966 10.810 -4.463 1.00 0.00 C ATOM 1043 CD GLU A 69 -6.464 12.046 -3.738 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -6.090 13.166 -4.146 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -7.229 11.893 -2.762 1.00 0.00 O ATOM 0 H GLU A 69 -6.366 9.745 -8.173 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.488 11.580 -6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.712 11.805 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.995 10.076 -6.183 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.431 9.926 -4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.891 10.713 -4.311 1.00 0.00 H new ATOM 1052 N PRO A 70 -3.008 10.082 -5.543 1.00 0.00 N ATOM 1053 CA PRO A 70 -2.022 9.200 -4.911 1.00 0.00 C ATOM 1054 C PRO A 70 -2.564 8.515 -3.661 1.00 0.00 C ATOM 1055 O PRO A 70 -3.642 8.854 -3.171 1.00 0.00 O ATOM 1056 CB PRO A 70 -0.882 10.151 -4.544 1.00 0.00 C ATOM 1057 CG PRO A 70 -1.540 11.475 -4.363 1.00 0.00 C ATOM 1058 CD PRO A 70 -2.682 11.508 -5.343 1.00 0.00 C ATOM 0 HA PRO A 70 -1.725 8.386 -5.572 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.377 9.831 -3.632 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -0.128 10.187 -5.330 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.899 11.596 -3.341 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.839 12.288 -4.553 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.533 12.063 -4.948 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.394 11.989 -6.278 1.00 0.00 H new ATOM 1066 N VAL A 71 -1.807 7.549 -3.152 1.00 0.00 N ATOM 1067 CA VAL A 71 -2.204 6.809 -1.959 1.00 0.00 C ATOM 1068 C VAL A 71 -2.254 7.717 -0.732 1.00 0.00 C ATOM 1069 O VAL A 71 -1.704 8.819 -0.741 1.00 0.00 O ATOM 1070 CB VAL A 71 -1.241 5.635 -1.682 1.00 0.00 C ATOM 1071 CG1 VAL A 71 -1.547 4.467 -2.605 1.00 0.00 C ATOM 1072 CG2 VAL A 71 0.206 6.078 -1.832 1.00 0.00 C ATOM 0 H VAL A 71 -0.913 7.259 -3.548 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.202 6.415 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.388 5.306 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.859 3.648 -2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.571 4.131 -2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.431 4.783 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.867 5.235 -1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.373 6.438 -2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.416 6.880 -1.124 1.00 0.00 H new ATOM 1082 N PRO A 72 -2.922 7.266 0.348 1.00 0.00 N ATOM 1083 CA PRO A 72 -3.049 8.042 1.591 1.00 0.00 C ATOM 1084 C PRO A 72 -1.768 8.058 2.422 1.00 0.00 C ATOM 1085 O PRO A 72 -1.739 8.619 3.517 1.00 0.00 O ATOM 1086 CB PRO A 72 -4.144 7.290 2.347 1.00 0.00 C ATOM 1087 CG PRO A 72 -3.995 5.881 1.894 1.00 0.00 C ATOM 1088 CD PRO A 72 -3.614 5.963 0.442 1.00 0.00 C ATOM 0 HA PRO A 72 -3.266 9.091 1.390 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -4.016 7.378 3.426 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.133 7.682 2.111 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.230 5.362 2.472 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.924 5.326 2.025 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -2.963 5.139 0.149 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.489 5.924 -0.207 1.00 0.00 H new ATOM 1096 N LEU A 73 -0.718 7.428 1.908 1.00 0.00 N ATOM 1097 CA LEU A 73 0.553 7.356 2.618 1.00 0.00 C ATOM 1098 C LEU A 73 1.557 8.358 2.054 1.00 0.00 C ATOM 1099 O LEU A 73 1.456 8.774 0.901 1.00 0.00 O ATOM 1100 CB LEU A 73 1.110 5.934 2.533 1.00 0.00 C ATOM 1101 CG LEU A 73 0.045 4.838 2.408 1.00 0.00 C ATOM 1102 CD1 LEU A 73 0.665 3.533 1.945 1.00 0.00 C ATOM 1103 CD2 LEU A 73 -0.683 4.652 3.731 1.00 0.00 C ATOM 0 H LEU A 73 -0.722 6.960 1.002 1.00 0.00 H new ATOM 0 HA LEU A 73 0.381 7.613 3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.780 5.871 1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.710 5.739 3.422 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.681 5.149 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.110 2.771 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.135 3.678 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.416 3.211 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.436 3.871 3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.032 4.366 4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.167 5.586 4.014 1.00 0.00 H new ATOM 1115 N GLN A 74 2.524 8.746 2.883 1.00 0.00 N ATOM 1116 CA GLN A 74 3.544 9.705 2.473 1.00 0.00 C ATOM 1117 C GLN A 74 4.933 9.265 2.923 1.00 0.00 C ATOM 1118 O GLN A 74 5.096 8.216 3.544 1.00 0.00 O ATOM 1119 CB GLN A 74 3.229 11.088 3.046 1.00 0.00 C ATOM 1120 CG GLN A 74 2.017 11.749 2.411 1.00 0.00 C ATOM 1121 CD GLN A 74 2.182 11.958 0.919 1.00 0.00 C ATOM 1122 OE1 GLN A 74 3.296 12.128 0.423 1.00 0.00 O ATOM 1123 NE2 GLN A 74 1.070 11.946 0.193 1.00 0.00 N ATOM 0 H GLN A 74 2.621 8.411 3.841 1.00 0.00 H new ATOM 0 HA GLN A 74 3.537 9.753 1.384 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.062 10.998 4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.097 11.734 2.911 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.136 11.134 2.593 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.839 12.711 2.891 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.167 11.802 0.645 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.119 12.081 -0.817 1.00 0.00 H new ATOM 1132 N HIS A 75 5.931 10.080 2.599 1.00 0.00 N ATOM 1133 CA HIS A 75 7.313 9.789 2.959 1.00 0.00 C ATOM 1134 C HIS A 75 7.471 9.642 4.468 1.00 0.00 C ATOM 1135 O HIS A 75 7.399 10.622 5.209 1.00 0.00 O ATOM 1136 CB HIS A 75 8.237 10.895 2.446 1.00 0.00 C ATOM 1137 CG HIS A 75 9.660 10.460 2.287 1.00 0.00 C ATOM 1138 ND1 HIS A 75 10.226 9.448 3.033 1.00 0.00 N ATOM 1139 CD2 HIS A 75 10.636 10.904 1.458 1.00 0.00 C ATOM 1140 CE1 HIS A 75 11.488 9.290 2.673 1.00 0.00 C ATOM 1141 NE2 HIS A 75 11.761 10.161 1.718 1.00 0.00 N ATOM 0 H HIS A 75 5.807 10.952 2.085 1.00 0.00 H new ATOM 0 HA HIS A 75 7.588 8.843 2.492 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.865 11.251 1.485 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.198 11.738 3.135 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.546 11.695 0.728 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.178 8.571 3.089 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.661 10.265 1.250 1.00 0.00 H new ATOM 1150 N GLY A 76 7.694 8.411 4.914 1.00 0.00 N ATOM 1151 CA GLY A 76 7.865 8.157 6.332 1.00 0.00 C ATOM 1152 C GLY A 76 6.677 7.447 6.951 1.00 0.00 C ATOM 1153 O GLY A 76 6.575 7.354 8.174 1.00 0.00 O ATOM 0 H GLY A 76 7.759 7.585 4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.761 7.555 6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.026 9.103 6.849 1.00 0.00 H new ATOM 1157 N ASP A 77 5.776 6.943 6.112 1.00 0.00 N ATOM 1158 CA ASP A 77 4.597 6.242 6.601 1.00 0.00 C ATOM 1159 C ASP A 77 4.872 4.751 6.745 1.00 0.00 C ATOM 1160 O ASP A 77 5.982 4.283 6.491 1.00 0.00 O ATOM 1161 CB ASP A 77 3.410 6.466 5.661 1.00 0.00 C ATOM 1162 CG ASP A 77 2.163 6.909 6.402 1.00 0.00 C ATOM 1163 OD1 ASP A 77 1.981 8.131 6.579 1.00 0.00 O ATOM 1164 OD2 ASP A 77 1.369 6.032 6.804 1.00 0.00 O ATOM 0 H ASP A 77 5.841 7.007 5.096 1.00 0.00 H new ATOM 0 HA ASP A 77 4.350 6.645 7.583 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.675 7.218 4.918 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.199 5.544 5.119 1.00 0.00 H new ATOM 1169 N ARG A 78 3.849 4.011 7.150 1.00 0.00 N ATOM 1170 CA ARG A 78 3.964 2.569 7.327 1.00 0.00 C ATOM 1171 C ARG A 78 2.682 1.881 6.893 1.00 0.00 C ATOM 1172 O ARG A 78 1.590 2.431 7.043 1.00 0.00 O ATOM 1173 CB ARG A 78 4.275 2.232 8.786 1.00 0.00 C ATOM 1174 CG ARG A 78 3.338 2.902 9.778 1.00 0.00 C ATOM 1175 CD ARG A 78 3.906 4.221 10.276 1.00 0.00 C ATOM 1176 NE ARG A 78 4.665 4.058 11.513 1.00 0.00 N ATOM 1177 CZ ARG A 78 4.973 5.062 12.332 1.00 0.00 C ATOM 1178 NH1 ARG A 78 4.590 6.301 12.047 1.00 0.00 N ATOM 1179 NH2 ARG A 78 5.664 4.826 13.438 1.00 0.00 N ATOM 0 H ARG A 78 2.925 4.388 7.363 1.00 0.00 H new ATOM 0 HA ARG A 78 4.783 2.209 6.705 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.221 1.152 8.920 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.300 2.530 9.009 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.371 3.076 9.306 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.165 2.236 10.624 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.551 4.651 9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.092 4.927 10.441 1.00 0.00 H new ATOM 0 HE ARG A 78 4.978 3.120 11.764 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.057 6.487 11.197 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.829 7.066 12.678 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.960 3.876 13.662 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.900 5.595 14.066 1.00 0.00 H new ATOM 1193 N ILE A 79 2.816 0.684 6.342 1.00 0.00 N ATOM 1194 CA ILE A 79 1.658 -0.059 5.874 1.00 0.00 C ATOM 1195 C ILE A 79 1.831 -1.556 6.068 1.00 0.00 C ATOM 1196 O ILE A 79 2.944 -2.052 6.242 1.00 0.00 O ATOM 1197 CB ILE A 79 1.382 0.218 4.387 1.00 0.00 C ATOM 1198 CG1 ILE A 79 2.692 0.405 3.616 1.00 0.00 C ATOM 1199 CG2 ILE A 79 0.495 1.439 4.241 1.00 0.00 C ATOM 1200 CD1 ILE A 79 2.492 0.660 2.138 1.00 0.00 C ATOM 0 H ILE A 79 3.709 0.210 6.209 1.00 0.00 H new ATOM 0 HA ILE A 79 0.813 0.281 6.472 1.00 0.00 H new ATOM 0 HB ILE A 79 0.864 -0.643 3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.243 1.240 4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.309 -0.485 3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.305 1.627 3.184 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.451 1.265 4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.992 2.304 4.680 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.462 0.783 1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.968 -0.185 1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.902 1.566 2.002 1.00 0.00 H new ATOM 1212 N THR A 80 0.714 -2.271 6.024 1.00 0.00 N ATOM 1213 CA THR A 80 0.725 -3.716 6.183 1.00 0.00 C ATOM 1214 C THR A 80 -0.038 -4.382 5.045 1.00 0.00 C ATOM 1215 O THR A 80 -1.166 -4.000 4.732 1.00 0.00 O ATOM 1216 CB THR A 80 0.110 -4.112 7.523 1.00 0.00 C ATOM 1217 OG1 THR A 80 0.820 -3.519 8.596 1.00 0.00 O ATOM 1218 CG2 THR A 80 0.095 -5.609 7.754 1.00 0.00 C ATOM 0 H THR A 80 -0.213 -1.870 5.879 1.00 0.00 H new ATOM 0 HA THR A 80 1.761 -4.054 6.159 1.00 0.00 H new ATOM 0 HB THR A 80 -0.919 -3.755 7.486 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.410 -3.783 9.446 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.355 -5.823 8.724 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.487 -6.092 6.969 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.116 -5.990 7.735 1.00 0.00 H new ATOM 1226 N ILE A 81 0.585 -5.376 4.429 1.00 0.00 N ATOM 1227 CA ILE A 81 -0.031 -6.095 3.324 1.00 0.00 C ATOM 1228 C ILE A 81 -0.565 -7.447 3.780 1.00 0.00 C ATOM 1229 O ILE A 81 -0.081 -8.021 4.754 1.00 0.00 O ATOM 1230 CB ILE A 81 0.964 -6.316 2.171 1.00 0.00 C ATOM 1231 CG1 ILE A 81 1.695 -5.014 1.841 1.00 0.00 C ATOM 1232 CG2 ILE A 81 0.242 -6.852 0.942 1.00 0.00 C ATOM 1233 CD1 ILE A 81 0.767 -3.869 1.493 1.00 0.00 C ATOM 0 H ILE A 81 1.519 -5.703 4.677 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.857 -5.479 2.969 1.00 0.00 H new ATOM 0 HB ILE A 81 1.702 -7.054 2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.310 -4.726 2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.372 -5.189 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.960 -7.003 0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.235 -7.801 1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.516 -6.136 0.624 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.355 -2.979 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.170 -4.137 0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.107 -3.666 2.336 1.00 0.00 H new ATOM 1245 N GLU A 82 -1.560 -7.953 3.068 1.00 0.00 N ATOM 1246 CA GLU A 82 -2.150 -9.244 3.394 1.00 0.00 C ATOM 1247 C GLU A 82 -2.356 -10.072 2.131 1.00 0.00 C ATOM 1248 O GLU A 82 -3.117 -9.691 1.242 1.00 0.00 O ATOM 1249 CB GLU A 82 -3.478 -9.056 4.139 1.00 0.00 C ATOM 1250 CG GLU A 82 -4.424 -10.245 4.033 1.00 0.00 C ATOM 1251 CD GLU A 82 -5.652 -10.093 4.910 1.00 0.00 C ATOM 1252 OE1 GLU A 82 -5.549 -10.356 6.127 1.00 0.00 O ATOM 1253 OE2 GLU A 82 -6.715 -9.709 4.380 1.00 0.00 O ATOM 0 H GLU A 82 -1.977 -7.490 2.260 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.463 -9.781 4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.268 -8.865 5.191 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.979 -8.171 3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.736 -10.365 2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.892 -11.154 4.313 1.00 0.00 H new ATOM 1260 N ILE A 83 -1.670 -11.207 2.060 1.00 0.00 N ATOM 1261 CA ILE A 83 -1.775 -12.090 0.908 1.00 0.00 C ATOM 1262 C ILE A 83 -3.186 -12.653 0.784 1.00 0.00 C ATOM 1263 O ILE A 83 -3.614 -13.477 1.592 1.00 0.00 O ATOM 1264 CB ILE A 83 -0.767 -13.255 0.987 1.00 0.00 C ATOM 1265 CG1 ILE A 83 0.667 -12.717 1.022 1.00 0.00 C ATOM 1266 CG2 ILE A 83 -0.957 -14.197 -0.195 1.00 0.00 C ATOM 1267 CD1 ILE A 83 1.339 -12.864 2.370 1.00 0.00 C ATOM 0 H ILE A 83 -1.035 -11.536 2.788 1.00 0.00 H new ATOM 0 HA ILE A 83 -1.544 -11.491 0.027 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.947 -13.813 1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.260 -13.239 0.271 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.657 -11.663 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.240 -15.015 -0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.970 -14.600 -0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.798 -13.651 -1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.351 -12.462 2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.769 -12.318 3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.382 -13.919 2.642 1.00 0.00 H new ATOM 1279 N LEU A 84 -3.899 -12.196 -0.234 1.00 0.00 N ATOM 1280 CA LEU A 84 -5.263 -12.643 -0.479 1.00 0.00 C ATOM 1281 C LEU A 84 -5.285 -14.038 -1.094 1.00 0.00 C ATOM 1282 O LEU A 84 -4.241 -14.589 -1.445 1.00 0.00 O ATOM 1283 CB LEU A 84 -5.977 -11.648 -1.393 1.00 0.00 C ATOM 1284 CG LEU A 84 -5.729 -10.175 -1.058 1.00 0.00 C ATOM 1285 CD1 LEU A 84 -6.541 -9.275 -1.973 1.00 0.00 C ATOM 1286 CD2 LEU A 84 -6.057 -9.892 0.403 1.00 0.00 C ATOM 0 H LEU A 84 -3.554 -11.512 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.785 -12.693 0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.663 -11.830 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.049 -11.840 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.672 -9.962 -1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.351 -8.232 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.253 -9.455 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.602 -9.492 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.874 -8.840 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.105 -10.124 0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.427 -10.509 1.043 1.00 0.00 H new ATOM 1298 N LYS A 85 -6.480 -14.605 -1.217 1.00 0.00 N ATOM 1299 CA LYS A 85 -6.641 -15.936 -1.784 1.00 0.00 C ATOM 1300 C LYS A 85 -6.972 -15.859 -3.269 1.00 0.00 C ATOM 1301 O LYS A 85 -8.125 -15.661 -3.652 1.00 0.00 O ATOM 1302 CB LYS A 85 -7.744 -16.699 -1.045 1.00 0.00 C ATOM 1303 CG LYS A 85 -7.236 -17.508 0.135 1.00 0.00 C ATOM 1304 CD LYS A 85 -6.236 -18.568 -0.302 1.00 0.00 C ATOM 1305 CE LYS A 85 -4.931 -18.458 0.469 1.00 0.00 C ATOM 1306 NZ LYS A 85 -4.953 -19.271 1.716 1.00 0.00 N ATOM 0 H LYS A 85 -7.353 -14.161 -0.930 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.697 -16.469 -1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.492 -15.989 -0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.244 -17.368 -1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.768 -16.842 0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.077 -17.985 0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.666 -19.558 -0.152 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.039 -18.465 -1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.107 -18.786 -0.164 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.744 -17.414 0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.045 -19.169 2.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.724 -18.941 2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.106 -20.271 1.476 1.00 0.00 H new ATOM 1320 N GLY A 86 -5.951 -16.020 -4.098 1.00 0.00 N ATOM 1321 CA GLY A 86 -6.146 -15.969 -5.534 1.00 0.00 C ATOM 1322 C GLY A 86 -6.939 -17.153 -6.054 1.00 0.00 C ATOM 1323 O GLY A 86 -6.365 -18.258 -6.144 1.00 0.00 O ATOM 1324 OXT GLY A 86 -8.134 -16.974 -6.370 1.00 0.00 O ATOM 0 H GLY A 86 -4.989 -16.185 -3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.664 -15.046 -5.795 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.175 -15.940 -6.029 1.00 0.00 H new TER 1328 GLY A 86