USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 770 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 34 MET CE :methyl 152:sc= -1.2! (180deg=-1.24) USER MOD Set 1.2: A 58 ASN : amide:sc= -8! C(o=-9.2!,f=-15!) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc=-0.00514 K(o=-0.0051,f=-1.6!) USER MOD Single : A 17 LYS NZ :NH3+ -103:sc= -3.06! (180deg=-5.74!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 149:sc= -0.303 (180deg=-1.36!) USER MOD Single : A 35 MET CE :methyl -148:sc= -0.222 (180deg=-1.35!) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.405 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 39 SER OG : rot -139:sc= 0.0247 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 79:sc= 0.634 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.218) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 95:sc= 0.0386 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -163:sc= -0.108 (180deg=-0.629) USER MOD Single : A 73 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.77) USER MOD Single : A 76 SER OG : rot 62:sc= 0.0118 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 152:sc= -2.08 (180deg=-6.22!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 8 -8.484 131.643 118.028 1.00 0.00 N ATOM 2 CA PRO A 8 -8.744 132.932 118.742 1.00 0.00 C ATOM 3 C PRO A 8 -9.903 132.808 119.738 1.00 0.00 C ATOM 4 O PRO A 8 -10.803 131.992 119.559 1.00 0.00 O ATOM 5 CB PRO A 8 -9.055 133.934 117.600 1.00 0.00 C ATOM 6 CG PRO A 8 -9.487 133.076 116.449 1.00 0.00 C ATOM 7 CD PRO A 8 -8.675 131.788 116.571 1.00 0.00 C ATOM 0 HA PRO A 8 -7.899 133.252 119.351 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.840 134.633 117.889 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.177 134.528 117.344 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.557 132.871 116.493 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.296 133.571 115.497 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.207 130.936 116.148 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.723 131.862 116.046 1.00 0.00 H new ATOM 15 N GLN A 9 -9.862 133.627 120.783 1.00 0.00 N ATOM 16 CA GLN A 9 -10.897 133.620 121.816 1.00 0.00 C ATOM 17 C GLN A 9 -12.286 133.835 121.216 1.00 0.00 C ATOM 18 O GLN A 9 -13.296 133.485 121.828 1.00 0.00 O ATOM 19 CB GLN A 9 -10.611 134.717 122.843 1.00 0.00 C ATOM 20 CG GLN A 9 -9.303 134.405 123.573 1.00 0.00 C ATOM 21 CD GLN A 9 -8.981 135.519 124.563 1.00 0.00 C ATOM 22 OE1 GLN A 9 -9.543 136.611 124.476 1.00 0.00 O ATOM 23 NE2 GLN A 9 -8.105 135.307 125.506 1.00 0.00 N ATOM 0 H GLN A 9 -9.120 134.309 120.939 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.881 132.644 122.300 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.541 135.685 122.347 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.431 134.784 123.557 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.388 133.454 124.098 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.491 134.301 122.853 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.640 134.402 125.576 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.885 136.047 126.173 1.00 0.00 H new ATOM 32 N ARG A 10 -12.332 134.439 120.036 1.00 0.00 N ATOM 33 CA ARG A 10 -13.607 134.727 119.386 1.00 0.00 C ATOM 34 C ARG A 10 -14.420 133.456 119.180 1.00 0.00 C ATOM 35 O ARG A 10 -15.640 133.469 119.318 1.00 0.00 O ATOM 36 CB ARG A 10 -13.352 135.380 118.029 1.00 0.00 C ATOM 37 CG ARG A 10 -12.612 136.699 118.234 1.00 0.00 C ATOM 38 CD ARG A 10 -12.426 137.395 116.885 1.00 0.00 C ATOM 39 NE ARG A 10 -13.712 137.856 116.372 1.00 0.00 N ATOM 40 CZ ARG A 10 -13.782 138.797 115.436 1.00 0.00 C ATOM 41 NH1 ARG A 10 -14.945 139.193 114.994 1.00 0.00 N1+ ATOM 42 NH2 ARG A 10 -12.688 139.325 114.959 1.00 0.00 N ATOM 0 H ARG A 10 -11.510 134.738 119.512 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.171 135.401 120.031 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.764 134.714 117.397 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.297 135.556 117.514 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.173 137.342 118.912 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.643 136.516 118.697 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.746 138.240 116.995 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.968 136.708 116.174 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.572 137.449 116.738 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.800 138.780 115.367 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.999 139.915 114.276 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.780 139.015 115.305 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.741 140.047 114.241 1.00 0.00 H new ATOM 56 N VAL A 11 -13.752 132.358 118.859 1.00 0.00 N ATOM 57 CA VAL A 11 -14.462 131.102 118.654 1.00 0.00 C ATOM 58 C VAL A 11 -15.169 130.698 119.942 1.00 0.00 C ATOM 59 O VAL A 11 -16.294 130.201 119.920 1.00 0.00 O ATOM 60 CB VAL A 11 -13.491 129.996 118.192 1.00 0.00 C ATOM 61 CG1 VAL A 11 -12.568 130.556 117.101 1.00 0.00 C ATOM 62 CG2 VAL A 11 -12.649 129.482 119.378 1.00 0.00 C ATOM 0 H VAL A 11 -12.741 132.308 118.737 1.00 0.00 H new ATOM 0 HA VAL A 11 -15.207 131.239 117.870 1.00 0.00 H new ATOM 0 HB VAL A 11 -14.068 129.162 117.794 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.880 129.777 116.772 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -13.167 130.892 116.255 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.000 131.396 117.501 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.970 128.702 119.032 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.071 130.305 119.798 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -13.309 129.074 120.143 1.00 0.00 H new ATOM 72 N ALA A 12 -14.497 130.931 121.063 1.00 0.00 N ATOM 73 CA ALA A 12 -15.067 130.601 122.361 1.00 0.00 C ATOM 74 C ALA A 12 -16.320 131.429 122.603 1.00 0.00 C ATOM 75 O ALA A 12 -17.301 130.940 123.159 1.00 0.00 O ATOM 76 CB ALA A 12 -14.044 130.859 123.472 1.00 0.00 C ATOM 0 H ALA A 12 -13.565 131.344 121.099 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.332 129.544 122.369 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -14.484 130.608 124.437 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -13.161 130.242 123.304 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.758 131.911 123.466 1.00 0.00 H new ATOM 82 N GLN A 13 -16.283 132.683 122.169 1.00 0.00 N ATOM 83 CA GLN A 13 -17.435 133.565 122.333 1.00 0.00 C ATOM 84 C GLN A 13 -18.616 133.021 121.552 1.00 0.00 C ATOM 85 O GLN A 13 -19.754 133.047 122.021 1.00 0.00 O ATOM 86 CB GLN A 13 -17.100 134.962 121.822 1.00 0.00 C ATOM 87 CG GLN A 13 -15.974 135.558 122.665 1.00 0.00 C ATOM 88 CD GLN A 13 -15.598 136.937 122.132 1.00 0.00 C ATOM 89 OE1 GLN A 13 -15.945 137.284 121.004 1.00 0.00 O ATOM 90 NE2 GLN A 13 -14.903 137.748 122.882 1.00 0.00 N ATOM 0 H GLN A 13 -15.480 133.109 121.707 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.688 133.616 123.392 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -16.799 134.915 120.775 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -17.982 135.600 121.872 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.289 135.635 123.706 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -15.105 134.901 122.643 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.616 137.458 123.817 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.647 138.672 122.533 1.00 0.00 H new ATOM 99 N GLU A 14 -18.331 132.510 120.360 1.00 0.00 N ATOM 100 CA GLU A 14 -19.375 131.940 119.529 1.00 0.00 C ATOM 101 C GLU A 14 -19.984 130.761 120.260 1.00 0.00 C ATOM 102 O GLU A 14 -21.185 130.511 120.201 1.00 0.00 O ATOM 103 CB GLU A 14 -18.794 131.479 118.191 1.00 0.00 C ATOM 104 CG GLU A 14 -18.315 132.693 117.399 1.00 0.00 C ATOM 105 CD GLU A 14 -17.782 132.251 116.040 1.00 0.00 C ATOM 106 OE1 GLU A 14 -17.647 131.056 115.839 1.00 0.00 O ATOM 107 OE2 GLU A 14 -17.517 133.115 115.221 1.00 0.00 O1- ATOM 0 H GLU A 14 -17.396 132.480 119.954 1.00 0.00 H new ATOM 0 HA GLU A 14 -20.139 132.692 119.331 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.965 130.791 118.360 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.549 130.935 117.623 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.136 133.398 117.265 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -17.534 133.214 117.953 1.00 0.00 H new ATOM 114 N MET A 15 -19.130 130.050 120.968 1.00 0.00 N ATOM 115 CA MET A 15 -19.574 128.910 121.750 1.00 0.00 C ATOM 116 C MET A 15 -20.329 129.385 122.976 1.00 0.00 C ATOM 117 O MET A 15 -21.321 128.793 123.381 1.00 0.00 O ATOM 118 CB MET A 15 -18.382 128.045 122.170 1.00 0.00 C ATOM 119 CG MET A 15 -17.765 127.379 120.938 1.00 0.00 C ATOM 120 SD MET A 15 -16.424 126.276 121.458 1.00 0.00 S ATOM 121 CE MET A 15 -15.872 125.773 119.807 1.00 0.00 C ATOM 0 H MET A 15 -18.129 130.239 121.019 1.00 0.00 H new ATOM 0 HA MET A 15 -20.238 128.305 121.133 1.00 0.00 H new ATOM 0 HB2 MET A 15 -17.636 128.658 122.675 1.00 0.00 H new ATOM 0 HB3 MET A 15 -18.705 127.285 122.882 1.00 0.00 H new ATOM 0 HG2 MET A 15 -18.525 126.815 120.397 1.00 0.00 H new ATOM 0 HG3 MET A 15 -17.383 128.137 120.254 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.036 125.079 119.898 1.00 0.00 H new ATOM 0 HE2 MET A 15 -16.693 125.285 119.282 1.00 0.00 H new ATOM 0 HE3 MET A 15 -15.554 126.652 119.246 1.00 0.00 H new ATOM 131 N GLN A 16 -19.838 130.461 123.568 1.00 0.00 N ATOM 132 CA GLN A 16 -20.462 131.006 124.761 1.00 0.00 C ATOM 133 C GLN A 16 -21.912 131.373 124.500 1.00 0.00 C ATOM 134 O GLN A 16 -22.802 131.003 125.265 1.00 0.00 O ATOM 135 CB GLN A 16 -19.695 132.249 125.219 1.00 0.00 C ATOM 136 CG GLN A 16 -20.281 132.764 126.535 1.00 0.00 C ATOM 137 CD GLN A 16 -19.456 133.939 127.049 1.00 0.00 C ATOM 138 OE1 GLN A 16 -18.402 134.247 126.494 1.00 0.00 O ATOM 139 NE2 GLN A 16 -19.876 134.615 128.082 1.00 0.00 N ATOM 0 H GLN A 16 -19.016 130.971 123.245 1.00 0.00 H new ATOM 0 HA GLN A 16 -20.435 130.244 125.540 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -18.640 132.009 125.350 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -19.753 133.025 124.456 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -21.316 133.073 126.386 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -20.291 131.964 127.276 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -20.750 134.357 128.539 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -19.330 135.402 128.433 1.00 0.00 H new ATOM 148 N LYS A 17 -22.149 132.099 123.419 1.00 0.00 N ATOM 149 CA LYS A 17 -23.509 132.496 123.088 1.00 0.00 C ATOM 150 C LYS A 17 -24.350 131.291 122.694 1.00 0.00 C ATOM 151 O LYS A 17 -25.519 131.190 123.066 1.00 0.00 O ATOM 152 CB LYS A 17 -23.536 133.567 121.985 1.00 0.00 C ATOM 153 CG LYS A 17 -23.059 132.987 120.651 1.00 0.00 C ATOM 154 CD LYS A 17 -23.027 134.093 119.584 1.00 0.00 C ATOM 155 CE LYS A 17 -22.984 133.468 118.178 1.00 0.00 C ATOM 156 NZ LYS A 17 -22.201 132.200 118.208 1.00 0.00 N1+ ATOM 0 H LYS A 17 -21.433 132.420 122.767 1.00 0.00 H new ATOM 0 HA LYS A 17 -23.945 132.937 123.984 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -24.548 133.957 121.876 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -22.900 134.405 122.270 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -22.066 132.552 120.767 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -23.724 132.183 120.335 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -23.907 134.729 119.681 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -22.155 134.730 119.735 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -23.997 133.271 117.827 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -22.533 134.167 117.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -21.256 132.366 117.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -22.107 131.873 119.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -22.693 131.475 117.648 1.00 0.00 H new ATOM 170 N GLU A 18 -23.752 130.387 121.930 1.00 0.00 N ATOM 171 CA GLU A 18 -24.472 129.198 121.482 1.00 0.00 C ATOM 172 C GLU A 18 -24.800 128.283 122.655 1.00 0.00 C ATOM 173 O GLU A 18 -25.887 127.712 122.723 1.00 0.00 O ATOM 174 CB GLU A 18 -23.661 128.442 120.429 1.00 0.00 C ATOM 175 CG GLU A 18 -24.540 127.353 119.809 1.00 0.00 C ATOM 176 CD GLU A 18 -23.748 126.558 118.778 1.00 0.00 C ATOM 177 OE1 GLU A 18 -22.629 126.946 118.491 1.00 0.00 O ATOM 178 OE2 GLU A 18 -24.273 125.571 118.289 1.00 0.00 O1- ATOM 0 H GLU A 18 -22.785 130.450 121.610 1.00 0.00 H new ATOM 0 HA GLU A 18 -25.410 129.524 121.032 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -23.313 129.129 119.658 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -22.776 127.998 120.884 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -24.908 126.686 120.588 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -25.413 127.805 119.338 1.00 0.00 H new ATOM 185 N ILE A 19 -23.876 128.164 123.595 1.00 0.00 N ATOM 186 CA ILE A 19 -24.129 127.337 124.768 1.00 0.00 C ATOM 187 C ILE A 19 -25.302 127.931 125.526 1.00 0.00 C ATOM 188 O ILE A 19 -26.214 127.226 125.945 1.00 0.00 O ATOM 189 CB ILE A 19 -22.872 127.265 125.661 1.00 0.00 C ATOM 190 CG1 ILE A 19 -21.821 126.362 124.991 1.00 0.00 C ATOM 191 CG2 ILE A 19 -23.224 126.692 127.045 1.00 0.00 C ATOM 192 CD1 ILE A 19 -20.444 126.620 125.611 1.00 0.00 C ATOM 0 H ILE A 19 -22.963 128.618 123.573 1.00 0.00 H new ATOM 0 HA ILE A 19 -24.369 126.318 124.463 1.00 0.00 H new ATOM 0 HB ILE A 19 -22.474 128.272 125.787 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -22.096 125.315 125.116 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -21.790 126.558 123.919 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -22.325 126.649 127.660 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -23.963 127.332 127.527 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -23.633 125.688 126.930 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -19.704 125.978 125.133 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -20.168 127.664 125.463 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -20.479 126.401 126.678 1.00 0.00 H new ATOM 204 N ALA A 20 -25.270 129.244 125.661 1.00 0.00 N ATOM 205 CA ALA A 20 -26.327 129.965 126.335 1.00 0.00 C ATOM 206 C ALA A 20 -27.612 129.818 125.550 1.00 0.00 C ATOM 207 O ALA A 20 -28.700 129.725 126.117 1.00 0.00 O ATOM 208 CB ALA A 20 -25.961 131.445 126.457 1.00 0.00 C ATOM 0 H ALA A 20 -24.516 129.834 125.309 1.00 0.00 H new ATOM 0 HA ALA A 20 -26.461 129.554 127.336 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -26.764 131.978 126.966 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -25.039 131.546 127.029 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -25.819 131.868 125.462 1.00 0.00 H new ATOM 214 N LEU A 21 -27.472 129.818 124.231 1.00 0.00 N ATOM 215 CA LEU A 21 -28.626 129.705 123.364 1.00 0.00 C ATOM 216 C LEU A 21 -29.356 128.391 123.595 1.00 0.00 C ATOM 217 O LEU A 21 -30.561 128.382 123.847 1.00 0.00 O ATOM 218 CB LEU A 21 -28.185 129.798 121.898 1.00 0.00 C ATOM 219 CG LEU A 21 -29.401 129.835 120.950 1.00 0.00 C ATOM 220 CD1 LEU A 21 -30.164 131.169 121.090 1.00 0.00 C ATOM 221 CD2 LEU A 21 -28.894 129.671 119.514 1.00 0.00 C ATOM 0 H LEU A 21 -26.578 129.894 123.746 1.00 0.00 H new ATOM 0 HA LEU A 21 -29.308 130.523 123.595 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -27.581 130.694 121.754 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -27.554 128.944 121.651 1.00 0.00 H new ATOM 0 HG LEU A 21 -30.088 129.028 121.205 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -31.018 131.173 120.412 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -30.515 131.282 122.116 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -29.499 131.996 120.841 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -29.738 129.694 118.825 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -28.208 130.484 119.275 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -28.374 128.718 119.418 1.00 0.00 H new ATOM 233 N ILE A 22 -28.633 127.279 123.519 1.00 0.00 N ATOM 234 CA ILE A 22 -29.266 125.988 123.739 1.00 0.00 C ATOM 235 C ILE A 22 -29.659 125.824 125.196 1.00 0.00 C ATOM 236 O ILE A 22 -30.666 125.190 125.511 1.00 0.00 O ATOM 237 CB ILE A 22 -28.342 124.850 123.308 1.00 0.00 C ATOM 238 CG1 ILE A 22 -28.082 124.974 121.795 1.00 0.00 C ATOM 239 CG2 ILE A 22 -29.013 123.503 123.621 1.00 0.00 C ATOM 240 CD1 ILE A 22 -27.091 123.901 121.311 1.00 0.00 C ATOM 0 H ILE A 22 -27.635 127.245 123.312 1.00 0.00 H new ATOM 0 HA ILE A 22 -30.169 125.948 123.130 1.00 0.00 H new ATOM 0 HB ILE A 22 -27.396 124.905 123.847 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -29.022 124.876 121.252 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -27.687 125.965 121.571 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -28.356 122.689 123.314 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -29.204 123.432 124.692 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -29.956 123.432 123.079 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -26.927 124.014 120.239 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -26.143 124.017 121.837 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -27.499 122.911 121.513 1.00 0.00 H new ATOM 252 N LEU A 23 -28.851 126.382 126.082 1.00 0.00 N ATOM 253 CA LEU A 23 -29.126 126.268 127.510 1.00 0.00 C ATOM 254 C LEU A 23 -30.499 126.837 127.840 1.00 0.00 C ATOM 255 O LEU A 23 -31.235 126.266 128.639 1.00 0.00 O ATOM 256 CB LEU A 23 -28.045 127.005 128.319 1.00 0.00 C ATOM 257 CG LEU A 23 -28.250 126.816 129.837 1.00 0.00 C ATOM 258 CD1 LEU A 23 -27.988 125.352 130.245 1.00 0.00 C ATOM 259 CD2 LEU A 23 -27.273 127.743 130.576 1.00 0.00 C ATOM 0 H LEU A 23 -28.011 126.911 125.846 1.00 0.00 H new ATOM 0 HA LEU A 23 -29.114 125.212 127.778 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -27.060 126.635 128.035 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -28.068 128.067 128.077 1.00 0.00 H new ATOM 0 HG LEU A 23 -29.280 127.061 130.098 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -28.138 125.241 131.319 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -28.678 124.697 129.713 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -26.963 125.082 129.992 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -27.402 127.624 131.652 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -26.250 127.485 130.303 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -27.473 128.778 130.299 1.00 0.00 H new ATOM 271 N GLN A 24 -30.825 127.972 127.231 1.00 0.00 N ATOM 272 CA GLN A 24 -32.106 128.637 127.465 1.00 0.00 C ATOM 273 C GLN A 24 -33.221 128.045 126.605 1.00 0.00 C ATOM 274 O GLN A 24 -34.374 127.960 127.026 1.00 0.00 O ATOM 275 CB GLN A 24 -31.964 130.130 127.156 1.00 0.00 C ATOM 276 CG GLN A 24 -33.218 130.878 127.615 1.00 0.00 C ATOM 277 CD GLN A 24 -33.109 132.351 127.237 1.00 0.00 C ATOM 278 OE1 GLN A 24 -33.217 132.700 126.062 1.00 0.00 O ATOM 279 NE2 GLN A 24 -32.897 133.240 128.168 1.00 0.00 N ATOM 0 H GLN A 24 -30.218 128.454 126.568 1.00 0.00 H new ATOM 0 HA GLN A 24 -32.376 128.487 128.510 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -31.085 130.533 127.659 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -31.814 130.276 126.086 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -34.103 130.440 127.154 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -33.338 130.778 128.694 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -32.808 132.948 129.141 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -32.820 134.227 127.923 1.00 0.00 H new ATOM 288 N ARG A 25 -32.872 127.703 125.377 1.00 0.00 N ATOM 289 CA ARG A 25 -33.843 127.184 124.418 1.00 0.00 C ATOM 290 C ARG A 25 -34.333 125.773 124.731 1.00 0.00 C ATOM 291 O ARG A 25 -35.522 125.484 124.600 1.00 0.00 O ATOM 292 CB ARG A 25 -33.217 127.185 123.031 1.00 0.00 C ATOM 293 CG ARG A 25 -34.282 126.886 121.968 1.00 0.00 C ATOM 294 CD ARG A 25 -33.628 126.852 120.586 1.00 0.00 C ATOM 295 NE ARG A 25 -33.047 128.151 120.269 1.00 0.00 N ATOM 296 CZ ARG A 25 -32.598 128.422 119.048 1.00 0.00 C ATOM 297 NH1 ARG A 25 -32.086 129.593 118.786 1.00 0.00 N1+ ATOM 298 NH2 ARG A 25 -32.668 127.517 118.110 1.00 0.00 N ATOM 0 H ARG A 25 -31.921 127.774 125.016 1.00 0.00 H new ATOM 0 HA ARG A 25 -34.713 127.839 124.475 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -32.757 128.153 122.833 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -32.424 126.439 122.982 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -34.763 125.931 122.178 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -35.061 127.648 121.995 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -32.855 126.084 120.561 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -34.368 126.583 119.832 1.00 0.00 H new ATOM 0 HE ARG A 25 -32.984 128.863 120.996 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -32.030 130.301 119.518 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -31.741 129.801 117.849 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -33.068 126.601 118.314 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -32.323 127.726 117.173 1.00 0.00 H new ATOM 312 N GLU A 26 -33.423 124.887 125.095 1.00 0.00 N ATOM 313 CA GLU A 26 -33.806 123.502 125.360 1.00 0.00 C ATOM 314 C GLU A 26 -34.560 123.400 126.677 1.00 0.00 C ATOM 315 O GLU A 26 -35.208 122.394 126.964 1.00 0.00 O ATOM 316 CB GLU A 26 -32.564 122.602 125.382 1.00 0.00 C ATOM 317 CG GLU A 26 -32.989 121.127 125.341 1.00 0.00 C ATOM 318 CD GLU A 26 -31.764 120.223 125.317 1.00 0.00 C ATOM 319 OE1 GLU A 26 -31.095 120.190 124.297 1.00 0.00 O ATOM 320 OE2 GLU A 26 -31.507 119.580 126.321 1.00 0.00 O1- ATOM 0 H GLU A 26 -32.431 125.091 125.214 1.00 0.00 H new ATOM 0 HA GLU A 26 -34.465 123.165 124.560 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -31.924 122.829 124.529 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -31.979 122.796 126.281 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -33.604 120.895 126.211 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -33.602 120.943 124.459 1.00 0.00 H new ATOM 327 N ILE A 27 -34.497 124.464 127.478 1.00 0.00 N ATOM 328 CA ILE A 27 -35.199 124.498 128.784 1.00 0.00 C ATOM 329 C ILE A 27 -36.335 125.514 128.754 1.00 0.00 C ATOM 330 O ILE A 27 -36.208 126.584 128.160 1.00 0.00 O ATOM 331 CB ILE A 27 -34.218 124.876 129.906 1.00 0.00 C ATOM 332 CG1 ILE A 27 -34.912 124.714 131.266 1.00 0.00 C ATOM 333 CG2 ILE A 27 -33.767 126.332 129.736 1.00 0.00 C ATOM 334 CD1 ILE A 27 -33.888 124.891 132.391 1.00 0.00 C ATOM 0 H ILE A 27 -33.975 125.312 127.258 1.00 0.00 H new ATOM 0 HA ILE A 27 -35.608 123.506 128.974 1.00 0.00 H new ATOM 0 HB ILE A 27 -33.347 124.222 129.857 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -35.710 125.450 131.368 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -35.375 123.730 131.334 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -33.072 126.593 130.534 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -33.273 126.450 128.772 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -34.635 126.989 129.781 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -34.383 124.776 133.355 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -33.106 124.139 132.292 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -33.445 125.885 132.327 1.00 0.00 H new ATOM 346 N LYS A 28 -37.441 125.174 129.407 1.00 0.00 N ATOM 347 CA LYS A 28 -38.588 126.070 129.458 1.00 0.00 C ATOM 348 C LYS A 28 -38.339 127.133 130.526 1.00 0.00 C ATOM 349 O LYS A 28 -38.187 126.815 131.706 1.00 0.00 O ATOM 350 CB LYS A 28 -39.848 125.266 129.801 1.00 0.00 C ATOM 351 CG LYS A 28 -39.980 124.054 128.867 1.00 0.00 C ATOM 352 CD LYS A 28 -40.213 124.515 127.422 1.00 0.00 C ATOM 353 CE LYS A 28 -40.734 123.343 126.585 1.00 0.00 C ATOM 354 NZ LYS A 28 -42.012 122.846 127.168 1.00 0.00 N1+ ATOM 0 H LYS A 28 -37.566 124.292 129.904 1.00 0.00 H new ATOM 0 HA LYS A 28 -38.728 126.553 128.491 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -39.803 124.931 130.837 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -40.729 125.901 129.709 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -39.077 123.446 128.920 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -40.808 123.424 129.193 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -40.930 125.336 127.403 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -39.284 124.894 126.996 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -40.891 123.660 125.554 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -39.996 122.541 126.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -42.616 122.470 126.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -41.810 122.093 127.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -42.503 123.628 127.646 1.00 0.00 H new ATOM 368 N ASP A 29 -38.271 128.392 130.101 1.00 0.00 N ATOM 369 CA ASP A 29 -38.005 129.489 131.030 1.00 0.00 C ATOM 370 C ASP A 29 -39.208 129.809 131.927 1.00 0.00 C ATOM 371 O ASP A 29 -39.025 130.172 133.090 1.00 0.00 O ATOM 372 CB ASP A 29 -37.575 130.748 130.253 1.00 0.00 C ATOM 373 CG ASP A 29 -36.818 131.709 131.166 1.00 0.00 C ATOM 374 OD1 ASP A 29 -37.463 132.548 131.770 1.00 0.00 O ATOM 375 OD2 ASP A 29 -35.606 131.588 131.245 1.00 0.00 O1- ATOM 0 H ASP A 29 -38.395 128.677 129.130 1.00 0.00 H new ATOM 0 HA ASP A 29 -37.196 129.165 131.684 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -36.944 130.464 129.411 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -38.453 131.245 129.840 1.00 0.00 H new ATOM 380 N PRO A 30 -40.421 129.703 131.434 1.00 0.00 N ATOM 381 CA PRO A 30 -41.639 130.017 132.249 1.00 0.00 C ATOM 382 C PRO A 30 -41.715 129.214 133.557 1.00 0.00 C ATOM 383 O PRO A 30 -42.287 129.680 134.542 1.00 0.00 O ATOM 384 CB PRO A 30 -42.810 129.666 131.300 1.00 0.00 C ATOM 385 CG PRO A 30 -42.225 129.765 129.927 1.00 0.00 C ATOM 386 CD PRO A 30 -40.783 129.283 130.067 1.00 0.00 C ATOM 0 HA PRO A 30 -41.646 131.055 132.580 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -43.193 128.665 131.496 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -43.644 130.357 131.427 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -42.778 129.149 129.218 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -42.263 130.789 129.556 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -40.705 128.203 129.943 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -40.132 129.737 129.320 1.00 0.00 H new ATOM 394 N ARG A 31 -41.154 128.007 133.559 1.00 0.00 N ATOM 395 CA ARG A 31 -41.196 127.164 134.753 1.00 0.00 C ATOM 396 C ARG A 31 -40.514 127.836 135.945 1.00 0.00 C ATOM 397 O ARG A 31 -40.968 127.700 137.081 1.00 0.00 O ATOM 398 CB ARG A 31 -40.519 125.823 134.470 1.00 0.00 C ATOM 399 CG ARG A 31 -41.328 125.054 133.423 1.00 0.00 C ATOM 400 CD ARG A 31 -40.728 123.660 133.237 1.00 0.00 C ATOM 401 NE ARG A 31 -39.317 123.759 132.884 1.00 0.00 N ATOM 402 CZ ARG A 31 -38.571 122.671 132.723 1.00 0.00 C ATOM 403 NH1 ARG A 31 -37.310 122.785 132.404 1.00 0.00 N1+ ATOM 404 NH2 ARG A 31 -39.098 121.488 132.885 1.00 0.00 N ATOM 0 H ARG A 31 -40.672 127.595 132.760 1.00 0.00 H new ATOM 0 HA ARG A 31 -42.244 127.005 135.007 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -39.502 125.985 134.112 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -40.445 125.240 135.388 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -42.368 124.975 133.738 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -41.322 125.593 132.476 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -40.841 123.083 134.155 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -41.269 123.125 132.456 1.00 0.00 H new ATOM 0 HE ARG A 31 -38.895 124.679 132.758 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -36.897 123.709 132.278 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -36.738 121.950 132.281 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -40.083 121.398 133.135 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -38.525 120.653 132.761 1.00 0.00 H new ATOM 418 N LEU A 32 -39.430 128.564 135.688 1.00 0.00 N ATOM 419 CA LEU A 32 -38.717 129.249 136.765 1.00 0.00 C ATOM 420 C LEU A 32 -39.465 130.513 137.177 1.00 0.00 C ATOM 421 O LEU A 32 -39.270 131.033 138.276 1.00 0.00 O ATOM 422 CB LEU A 32 -37.292 129.605 136.326 1.00 0.00 C ATOM 423 CG LEU A 32 -36.522 128.339 135.904 1.00 0.00 C ATOM 424 CD1 LEU A 32 -35.105 128.744 135.475 1.00 0.00 C ATOM 425 CD2 LEU A 32 -36.447 127.331 137.076 1.00 0.00 C ATOM 0 H LEU A 32 -39.030 128.694 134.759 1.00 0.00 H new ATOM 0 HA LEU A 32 -38.662 128.576 137.621 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -37.327 130.310 135.495 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -36.767 130.101 137.143 1.00 0.00 H new ATOM 0 HG LEU A 32 -37.043 127.860 135.075 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -34.549 127.857 135.174 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -35.163 129.438 134.637 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -34.596 129.225 136.310 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -35.899 126.444 136.758 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -35.933 127.792 137.920 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -37.455 127.047 137.377 1.00 0.00 H new ATOM 437 N GLY A 33 -40.331 130.999 136.288 1.00 0.00 N ATOM 438 CA GLY A 33 -41.122 132.201 136.561 1.00 0.00 C ATOM 439 C GLY A 33 -40.378 133.463 136.132 1.00 0.00 C ATOM 440 O GLY A 33 -40.842 134.578 136.374 1.00 0.00 O ATOM 0 H GLY A 33 -40.503 130.580 135.374 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -42.074 132.140 136.033 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -41.350 132.255 137.625 1.00 0.00 H new ATOM 444 N MET A 34 -39.228 133.284 135.490 1.00 0.00 N ATOM 445 CA MET A 34 -38.440 134.424 135.031 1.00 0.00 C ATOM 446 C MET A 34 -37.239 133.955 134.215 1.00 0.00 C ATOM 447 O MET A 34 -36.996 132.756 134.081 1.00 0.00 O ATOM 448 CB MET A 34 -37.967 135.260 136.225 1.00 0.00 C ATOM 449 CG MET A 34 -37.418 134.341 137.316 1.00 0.00 C ATOM 450 SD MET A 34 -36.881 135.342 138.728 1.00 0.00 S ATOM 451 CE MET A 34 -38.510 135.944 139.243 1.00 0.00 C ATOM 0 H MET A 34 -38.824 132.372 135.277 1.00 0.00 H new ATOM 0 HA MET A 34 -39.073 135.042 134.395 1.00 0.00 H new ATOM 0 HB2 MET A 34 -37.196 135.962 135.907 1.00 0.00 H new ATOM 0 HB3 MET A 34 -38.794 135.851 136.617 1.00 0.00 H new ATOM 0 HG2 MET A 34 -38.184 133.631 137.629 1.00 0.00 H new ATOM 0 HG3 MET A 34 -36.582 133.758 136.930 1.00 0.00 H new ATOM 0 HE1 MET A 34 -38.501 136.146 140.314 1.00 0.00 H new ATOM 0 HE2 MET A 34 -38.747 136.860 138.702 1.00 0.00 H new ATOM 0 HE3 MET A 34 -39.264 135.188 139.023 1.00 0.00 H new ATOM 461 N MET A 35 -36.494 134.916 133.667 1.00 0.00 N ATOM 462 CA MET A 35 -35.319 134.612 132.846 1.00 0.00 C ATOM 463 C MET A 35 -34.059 134.504 133.701 1.00 0.00 C ATOM 464 O MET A 35 -34.015 134.988 134.831 1.00 0.00 O ATOM 465 CB MET A 35 -35.125 135.713 131.801 1.00 0.00 C ATOM 466 CG MET A 35 -36.303 135.701 130.824 1.00 0.00 C ATOM 467 SD MET A 35 -35.983 136.860 129.470 1.00 0.00 S ATOM 468 CE MET A 35 -35.870 138.364 130.472 1.00 0.00 C ATOM 0 H MET A 35 -36.683 135.912 133.776 1.00 0.00 H new ATOM 0 HA MET A 35 -35.487 133.653 132.356 1.00 0.00 H new ATOM 0 HB2 MET A 35 -35.054 136.685 132.290 1.00 0.00 H new ATOM 0 HB3 MET A 35 -34.190 135.558 131.262 1.00 0.00 H new ATOM 0 HG2 MET A 35 -36.450 134.696 130.428 1.00 0.00 H new ATOM 0 HG3 MET A 35 -37.221 135.977 131.343 1.00 0.00 H new ATOM 0 HE1 MET A 35 -36.235 139.214 129.895 1.00 0.00 H new ATOM 0 HE2 MET A 35 -36.476 138.249 131.371 1.00 0.00 H new ATOM 0 HE3 MET A 35 -34.831 138.536 130.754 1.00 0.00 H new ATOM 478 N THR A 36 -33.030 133.860 133.136 1.00 0.00 N ATOM 479 CA THR A 36 -31.738 133.667 133.815 1.00 0.00 C ATOM 480 C THR A 36 -30.615 134.234 132.952 1.00 0.00 C ATOM 481 O THR A 36 -30.759 134.347 131.735 1.00 0.00 O ATOM 482 CB THR A 36 -31.503 132.170 134.054 1.00 0.00 C ATOM 483 OG1 THR A 36 -30.350 131.996 134.868 1.00 0.00 O ATOM 484 CG2 THR A 36 -31.303 131.451 132.718 1.00 0.00 C ATOM 0 H THR A 36 -33.067 133.459 132.199 1.00 0.00 H new ATOM 0 HA THR A 36 -31.751 134.187 134.773 1.00 0.00 H new ATOM 0 HB THR A 36 -32.372 131.747 134.557 1.00 0.00 H new ATOM 0 HG1 THR A 36 -30.200 131.040 135.023 1.00 0.00 H new ATOM 0 HG21 THR A 36 -31.137 130.389 132.898 1.00 0.00 H new ATOM 0 HG22 THR A 36 -32.191 131.580 132.099 1.00 0.00 H new ATOM 0 HG23 THR A 36 -30.439 131.872 132.204 1.00 0.00 H new ATOM 492 N THR A 37 -29.495 134.610 133.587 1.00 0.00 N ATOM 493 CA THR A 37 -28.344 135.190 132.866 1.00 0.00 C ATOM 494 C THR A 37 -27.089 134.355 133.082 1.00 0.00 C ATOM 495 O THR A 37 -27.003 133.575 134.031 1.00 0.00 O ATOM 496 CB THR A 37 -28.091 136.612 133.372 1.00 0.00 C ATOM 497 OG1 THR A 37 -27.504 136.557 134.665 1.00 0.00 O ATOM 498 CG2 THR A 37 -29.416 137.374 133.444 1.00 0.00 C ATOM 0 H THR A 37 -29.359 134.525 134.594 1.00 0.00 H new ATOM 0 HA THR A 37 -28.577 135.203 131.801 1.00 0.00 H new ATOM 0 HB THR A 37 -27.416 137.125 132.688 1.00 0.00 H new ATOM 0 HG1 THR A 37 -27.340 137.467 134.989 1.00 0.00 H new ATOM 0 HG21 THR A 37 -29.234 138.386 133.805 1.00 0.00 H new ATOM 0 HG22 THR A 37 -29.865 137.417 132.452 1.00 0.00 H new ATOM 0 HG23 THR A 37 -30.094 136.862 134.127 1.00 0.00 H new ATOM 506 N VAL A 38 -26.103 134.534 132.191 1.00 0.00 N ATOM 507 CA VAL A 38 -24.827 133.806 132.274 1.00 0.00 C ATOM 508 C VAL A 38 -23.714 134.759 132.703 1.00 0.00 C ATOM 509 O VAL A 38 -23.480 135.787 132.070 1.00 0.00 O ATOM 510 CB VAL A 38 -24.488 133.200 130.904 1.00 0.00 C ATOM 511 CG1 VAL A 38 -24.389 134.308 129.845 1.00 0.00 C ATOM 512 CG2 VAL A 38 -23.154 132.452 130.996 1.00 0.00 C ATOM 0 H VAL A 38 -26.165 135.178 131.403 1.00 0.00 H new ATOM 0 HA VAL A 38 -24.918 133.007 133.010 1.00 0.00 H new ATOM 0 HB VAL A 38 -25.277 132.506 130.614 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -24.148 133.867 128.878 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -25.342 134.833 129.777 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -23.606 135.012 130.127 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -22.911 132.021 130.025 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -22.367 133.146 131.292 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -23.233 131.656 131.737 1.00 0.00 H new ATOM 522 N SER A 39 -23.036 134.410 133.792 1.00 0.00 N ATOM 523 CA SER A 39 -21.951 135.240 134.304 1.00 0.00 C ATOM 524 C SER A 39 -20.759 135.229 133.355 1.00 0.00 C ATOM 525 O SER A 39 -20.063 136.232 133.201 1.00 0.00 O ATOM 526 CB SER A 39 -21.514 134.735 135.679 1.00 0.00 C ATOM 527 OG SER A 39 -20.562 135.636 136.230 1.00 0.00 O ATOM 0 H SER A 39 -23.217 133.565 134.333 1.00 0.00 H new ATOM 0 HA SER A 39 -22.317 136.263 134.388 1.00 0.00 H new ATOM 0 HB2 SER A 39 -22.377 134.651 136.339 1.00 0.00 H new ATOM 0 HB3 SER A 39 -21.081 133.738 135.592 1.00 0.00 H new ATOM 0 HG SER A 39 -19.848 135.129 136.670 1.00 0.00 H new ATOM 533 N GLY A 40 -20.524 134.077 132.728 1.00 0.00 N ATOM 534 CA GLY A 40 -19.409 133.916 131.802 1.00 0.00 C ATOM 535 C GLY A 40 -18.949 132.470 131.817 1.00 0.00 C ATOM 536 O GLY A 40 -19.215 131.740 132.771 1.00 0.00 O ATOM 0 H GLY A 40 -21.095 133.240 132.847 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -19.713 134.202 130.795 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -18.588 134.574 132.086 1.00 0.00 H new ATOM 540 N VAL A 41 -18.267 132.044 130.752 1.00 0.00 N ATOM 541 CA VAL A 41 -17.777 130.660 130.643 1.00 0.00 C ATOM 542 C VAL A 41 -16.284 130.632 130.334 1.00 0.00 C ATOM 543 O VAL A 41 -15.766 131.503 129.636 1.00 0.00 O ATOM 544 CB VAL A 41 -18.572 129.951 129.543 1.00 0.00 C ATOM 545 CG1 VAL A 41 -20.059 130.242 129.757 1.00 0.00 C ATOM 546 CG2 VAL A 41 -18.149 130.467 128.162 1.00 0.00 C ATOM 0 H VAL A 41 -18.039 132.633 129.951 1.00 0.00 H new ATOM 0 HA VAL A 41 -17.920 130.145 131.593 1.00 0.00 H new ATOM 0 HB VAL A 41 -18.381 128.879 129.589 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -20.642 129.745 128.982 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -20.365 129.872 130.735 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -20.230 131.317 129.706 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -18.723 129.954 127.390 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -18.337 131.539 128.101 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -17.087 130.276 128.012 1.00 0.00 H new ATOM 556 N GLU A 42 -15.597 129.609 130.855 1.00 0.00 N ATOM 557 CA GLU A 42 -14.150 129.437 130.636 1.00 0.00 C ATOM 558 C GLU A 42 -13.896 128.111 129.931 1.00 0.00 C ATOM 559 O GLU A 42 -14.511 127.098 130.259 1.00 0.00 O ATOM 560 CB GLU A 42 -13.418 129.452 131.982 1.00 0.00 C ATOM 561 CG GLU A 42 -11.903 129.486 131.753 1.00 0.00 C ATOM 562 CD GLU A 42 -11.492 130.832 131.168 1.00 0.00 C ATOM 563 OE1 GLU A 42 -12.212 131.794 131.381 1.00 0.00 O ATOM 564 OE2 GLU A 42 -10.462 130.883 130.516 1.00 0.00 O1- ATOM 0 H GLU A 42 -16.019 128.883 131.434 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.780 130.254 130.017 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.726 130.321 132.563 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.687 128.569 132.562 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.381 129.315 132.695 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.611 128.682 131.077 1.00 0.00 H new ATOM 571 N MET A 43 -12.986 128.122 128.955 1.00 0.00 N ATOM 572 CA MET A 43 -12.644 126.912 128.190 1.00 0.00 C ATOM 573 C MET A 43 -11.250 126.428 128.575 1.00 0.00 C ATOM 574 O MET A 43 -10.349 127.236 128.802 1.00 0.00 O ATOM 575 CB MET A 43 -12.672 127.241 126.697 1.00 0.00 C ATOM 576 CG MET A 43 -13.944 128.035 126.378 1.00 0.00 C ATOM 577 SD MET A 43 -15.401 127.114 126.936 1.00 0.00 S ATOM 578 CE MET A 43 -15.606 126.059 125.479 1.00 0.00 C ATOM 0 H MET A 43 -12.470 128.955 128.672 1.00 0.00 H new ATOM 0 HA MET A 43 -13.367 126.127 128.413 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.790 127.820 126.424 1.00 0.00 H new ATOM 0 HB3 MET A 43 -12.645 126.323 126.110 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.908 129.008 126.868 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.008 128.220 125.306 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.465 125.404 125.622 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.767 126.681 124.599 1.00 0.00 H new ATOM 0 HE3 MET A 43 -14.709 125.456 125.338 1.00 0.00 H new ATOM 588 N SER A 44 -11.070 125.111 128.645 1.00 0.00 N ATOM 589 CA SER A 44 -9.769 124.563 129.001 1.00 0.00 C ATOM 590 C SER A 44 -8.798 124.732 127.847 1.00 0.00 C ATOM 591 O SER A 44 -9.195 124.783 126.684 1.00 0.00 O ATOM 592 CB SER A 44 -9.881 123.080 129.359 1.00 0.00 C ATOM 593 OG SER A 44 -10.571 122.945 130.596 1.00 0.00 O ATOM 0 H SER A 44 -11.795 124.417 128.463 1.00 0.00 H new ATOM 0 HA SER A 44 -9.400 125.107 129.871 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.412 122.544 128.573 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.888 122.636 129.433 1.00 0.00 H new ATOM 0 HG SER A 44 -11.534 123.046 130.446 1.00 0.00 H new ATOM 599 N ARG A 45 -7.523 124.829 128.181 1.00 0.00 N ATOM 600 CA ARG A 45 -6.487 125.007 127.180 1.00 0.00 C ATOM 601 C ARG A 45 -6.406 123.804 126.241 1.00 0.00 C ATOM 602 O ARG A 45 -6.039 123.945 125.074 1.00 0.00 O ATOM 603 CB ARG A 45 -5.150 125.217 127.878 1.00 0.00 C ATOM 604 CG ARG A 45 -4.717 123.922 128.571 1.00 0.00 C ATOM 605 CD ARG A 45 -3.532 124.210 129.493 1.00 0.00 C ATOM 606 NE ARG A 45 -3.028 122.969 130.071 1.00 0.00 N ATOM 607 CZ ARG A 45 -2.242 122.980 131.143 1.00 0.00 C ATOM 608 NH1 ARG A 45 -1.804 121.856 131.641 1.00 0.00 N1+ ATOM 609 NH2 ARG A 45 -1.909 124.113 131.696 1.00 0.00 N ATOM 0 H ARG A 45 -7.180 124.787 129.141 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.733 125.881 126.576 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.395 125.522 127.153 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.234 126.021 128.609 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.546 123.509 129.145 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.440 123.174 127.828 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.739 124.707 128.934 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.837 124.892 130.287 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.283 122.078 129.645 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.065 120.970 131.208 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.201 121.863 132.464 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.252 124.991 131.306 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.306 124.121 132.519 1.00 0.00 H new ATOM 623 N ASP A 46 -6.738 122.621 126.755 1.00 0.00 N ATOM 624 CA ASP A 46 -6.685 121.402 125.947 1.00 0.00 C ATOM 625 C ASP A 46 -7.960 121.232 125.123 1.00 0.00 C ATOM 626 O ASP A 46 -8.080 120.288 124.342 1.00 0.00 O ATOM 627 CB ASP A 46 -6.494 120.185 126.857 1.00 0.00 C ATOM 628 CG ASP A 46 -7.682 120.038 127.801 1.00 0.00 C ATOM 629 OD1 ASP A 46 -8.664 120.731 127.600 1.00 0.00 O ATOM 630 OD2 ASP A 46 -7.593 119.233 128.713 1.00 0.00 O1- ATOM 0 H ASP A 46 -7.044 122.480 127.718 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.842 121.484 125.261 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.387 119.284 126.253 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.575 120.294 127.433 1.00 0.00 H new ATOM 635 N LEU A 47 -8.908 122.150 125.301 1.00 0.00 N ATOM 636 CA LEU A 47 -10.166 122.090 124.569 1.00 0.00 C ATOM 637 C LEU A 47 -10.862 120.785 124.888 1.00 0.00 C ATOM 638 O LEU A 47 -11.548 120.206 124.045 1.00 0.00 O ATOM 639 CB LEU A 47 -9.917 122.186 123.059 1.00 0.00 C ATOM 640 CG LEU A 47 -8.989 123.366 122.749 1.00 0.00 C ATOM 641 CD1 LEU A 47 -8.793 123.464 121.232 1.00 0.00 C ATOM 642 CD2 LEU A 47 -9.604 124.674 123.275 1.00 0.00 C ATOM 0 H LEU A 47 -8.828 122.939 125.943 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.792 122.930 124.869 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.472 121.259 122.697 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.864 122.311 122.534 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.027 123.208 123.237 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.134 124.301 121.004 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.348 122.540 120.862 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.758 123.620 120.750 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.937 125.506 123.050 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.568 124.842 122.795 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.743 124.603 124.354 1.00 0.00 H new ATOM 654 N ALA A 48 -10.665 120.323 126.123 1.00 0.00 N ATOM 655 CA ALA A 48 -11.255 119.069 126.601 1.00 0.00 C ATOM 656 C ALA A 48 -12.365 119.333 127.613 1.00 0.00 C ATOM 657 O ALA A 48 -13.445 118.752 127.522 1.00 0.00 O ATOM 658 CB ALA A 48 -10.173 118.215 127.261 1.00 0.00 C ATOM 0 H ALA A 48 -10.095 120.804 126.819 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.681 118.546 125.745 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.612 117.283 127.616 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.390 117.994 126.535 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.744 118.758 128.103 1.00 0.00 H new ATOM 664 N TYR A 49 -12.091 120.201 128.593 1.00 0.00 N ATOM 665 CA TYR A 49 -13.072 120.530 129.647 1.00 0.00 C ATOM 666 C TYR A 49 -13.456 122.004 129.601 1.00 0.00 C ATOM 667 O TYR A 49 -12.610 122.872 129.406 1.00 0.00 O ATOM 668 CB TYR A 49 -12.465 120.217 131.017 1.00 0.00 C ATOM 669 CG TYR A 49 -12.102 118.753 131.086 1.00 0.00 C ATOM 670 CD1 TYR A 49 -13.069 117.809 131.451 1.00 0.00 C ATOM 671 CD2 TYR A 49 -10.799 118.341 130.782 1.00 0.00 C ATOM 672 CE1 TYR A 49 -12.732 116.451 131.512 1.00 0.00 C ATOM 673 CE2 TYR A 49 -10.463 116.984 130.845 1.00 0.00 C ATOM 674 CZ TYR A 49 -11.429 116.039 131.209 1.00 0.00 C ATOM 675 OH TYR A 49 -11.097 114.701 131.271 1.00 0.00 O ATOM 0 H TYR A 49 -11.201 120.691 128.683 1.00 0.00 H new ATOM 0 HA TYR A 49 -13.968 119.932 129.480 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.579 120.830 131.182 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -13.175 120.464 131.806 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -14.074 118.128 131.685 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.054 119.070 130.499 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -13.477 115.722 131.793 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.457 116.666 130.613 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.154 114.586 131.030 1.00 0.00 H new ATOM 685 N ALA A 50 -14.749 122.286 129.792 1.00 0.00 N ATOM 686 CA ALA A 50 -15.259 123.671 129.787 1.00 0.00 C ATOM 687 C ALA A 50 -16.049 123.955 131.064 1.00 0.00 C ATOM 688 O ALA A 50 -16.784 123.096 131.552 1.00 0.00 O ATOM 689 CB ALA A 50 -16.162 123.879 128.576 1.00 0.00 C ATOM 0 H ALA A 50 -15.465 121.578 129.952 1.00 0.00 H new ATOM 0 HA ALA A 50 -14.412 124.355 129.737 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -16.538 124.902 128.574 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -15.594 123.699 127.663 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -17.001 123.185 128.624 1.00 0.00 H new ATOM 695 N LYS A 51 -15.895 125.174 131.600 1.00 0.00 N ATOM 696 CA LYS A 51 -16.597 125.590 132.828 1.00 0.00 C ATOM 697 C LYS A 51 -17.597 126.699 132.513 1.00 0.00 C ATOM 698 O LYS A 51 -17.256 127.692 131.872 1.00 0.00 O ATOM 699 CB LYS A 51 -15.584 126.112 133.852 1.00 0.00 C ATOM 700 CG LYS A 51 -14.441 125.104 134.036 1.00 0.00 C ATOM 701 CD LYS A 51 -14.973 123.801 134.647 1.00 0.00 C ATOM 702 CE LYS A 51 -13.806 122.973 135.190 1.00 0.00 C ATOM 703 NZ LYS A 51 -12.863 122.655 134.082 1.00 0.00 N1+ ATOM 0 H LYS A 51 -15.290 125.893 131.203 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.126 124.728 133.235 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.183 127.070 133.520 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.080 126.287 134.807 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.971 124.897 133.074 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.673 125.529 134.682 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.677 124.025 135.448 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.517 123.231 133.894 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.289 123.525 135.974 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.178 122.053 135.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.208 121.908 134.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.399 122.328 133.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.323 123.507 133.830 1.00 0.00 H new ATOM 717 N VAL A 52 -18.840 126.522 132.978 1.00 0.00 N ATOM 718 CA VAL A 52 -19.920 127.510 132.761 1.00 0.00 C ATOM 719 C VAL A 52 -20.435 128.051 134.097 1.00 0.00 C ATOM 720 O VAL A 52 -20.704 127.287 135.023 1.00 0.00 O ATOM 721 CB VAL A 52 -21.070 126.847 131.979 1.00 0.00 C ATOM 722 CG1 VAL A 52 -22.302 127.767 131.944 1.00 0.00 C ATOM 723 CG2 VAL A 52 -20.599 126.567 130.548 1.00 0.00 C ATOM 0 H VAL A 52 -19.130 125.702 133.510 1.00 0.00 H new ATOM 0 HA VAL A 52 -19.523 128.347 132.186 1.00 0.00 H new ATOM 0 HB VAL A 52 -21.348 125.916 132.473 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -23.103 127.281 131.387 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -22.636 127.966 132.962 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -22.041 128.707 131.458 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -21.405 126.097 129.985 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -20.319 127.504 130.067 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -19.737 125.900 130.573 1.00 0.00 H new ATOM 733 N TYR A 53 -20.589 129.380 134.177 1.00 0.00 N ATOM 734 CA TYR A 53 -21.099 130.044 135.392 1.00 0.00 C ATOM 735 C TYR A 53 -22.446 130.697 135.091 1.00 0.00 C ATOM 736 O TYR A 53 -22.595 131.383 134.080 1.00 0.00 O ATOM 737 CB TYR A 53 -20.104 131.114 135.846 1.00 0.00 C ATOM 738 CG TYR A 53 -18.816 130.455 136.280 1.00 0.00 C ATOM 739 CD1 TYR A 53 -18.647 130.065 137.614 1.00 0.00 C ATOM 740 CD2 TYR A 53 -17.792 130.232 135.352 1.00 0.00 C ATOM 741 CE1 TYR A 53 -17.456 129.452 138.020 1.00 0.00 C ATOM 742 CE2 TYR A 53 -16.600 129.618 135.758 1.00 0.00 C ATOM 743 CZ TYR A 53 -16.433 129.228 137.092 1.00 0.00 C ATOM 744 OH TYR A 53 -15.258 128.624 137.493 1.00 0.00 O ATOM 0 H TYR A 53 -20.368 130.020 133.415 1.00 0.00 H new ATOM 0 HA TYR A 53 -21.223 129.304 136.183 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -19.911 131.814 135.033 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -20.525 131.691 136.670 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -19.436 130.237 138.331 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -17.921 130.533 134.323 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -17.327 129.152 139.049 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -15.810 129.446 135.042 1.00 0.00 H new ATOM 0 HH TYR A 53 -14.654 128.542 136.726 1.00 0.00 H new ATOM 754 N VAL A 54 -23.441 130.476 135.967 1.00 0.00 N ATOM 755 CA VAL A 54 -24.793 131.045 135.774 1.00 0.00 C ATOM 756 C VAL A 54 -25.315 131.714 137.044 1.00 0.00 C ATOM 757 O VAL A 54 -24.970 131.320 138.158 1.00 0.00 O ATOM 758 CB VAL A 54 -25.762 129.936 135.361 1.00 0.00 C ATOM 759 CG1 VAL A 54 -25.229 129.229 134.114 1.00 0.00 C ATOM 760 CG2 VAL A 54 -25.897 128.924 136.501 1.00 0.00 C ATOM 0 H VAL A 54 -23.340 129.912 136.811 1.00 0.00 H new ATOM 0 HA VAL A 54 -24.724 131.803 134.993 1.00 0.00 H new ATOM 0 HB VAL A 54 -26.737 130.371 135.143 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -25.920 128.439 133.820 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -25.134 129.948 133.301 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -24.253 128.795 134.331 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -26.588 128.134 136.206 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -24.921 128.490 136.720 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -26.278 129.426 137.390 1.00 0.00 H new ATOM 770 N THR A 55 -26.172 132.727 136.853 1.00 0.00 N ATOM 771 CA THR A 55 -26.780 133.461 137.969 1.00 0.00 C ATOM 772 C THR A 55 -28.221 133.861 137.628 1.00 0.00 C ATOM 773 O THR A 55 -28.551 134.092 136.465 1.00 0.00 O ATOM 774 CB THR A 55 -25.947 134.712 138.283 1.00 0.00 C ATOM 775 OG1 THR A 55 -26.377 135.267 139.518 1.00 0.00 O ATOM 776 CG2 THR A 55 -26.109 135.748 137.167 1.00 0.00 C ATOM 0 H THR A 55 -26.460 133.057 135.932 1.00 0.00 H new ATOM 0 HA THR A 55 -26.800 132.813 138.845 1.00 0.00 H new ATOM 0 HB THR A 55 -24.896 134.433 138.354 1.00 0.00 H new ATOM 0 HG1 THR A 55 -25.808 134.933 140.242 1.00 0.00 H new ATOM 0 HG21 THR A 55 -25.514 136.631 137.401 1.00 0.00 H new ATOM 0 HG22 THR A 55 -25.770 135.322 136.223 1.00 0.00 H new ATOM 0 HG23 THR A 55 -27.158 136.030 137.082 1.00 0.00 H new ATOM 784 N PHE A 56 -29.067 133.949 138.655 1.00 0.00 N ATOM 785 CA PHE A 56 -30.466 134.334 138.460 1.00 0.00 C ATOM 786 C PHE A 56 -31.093 134.858 139.758 1.00 0.00 C ATOM 787 O PHE A 56 -30.592 134.614 140.852 1.00 0.00 O ATOM 788 CB PHE A 56 -31.269 133.150 137.895 1.00 0.00 C ATOM 789 CG PHE A 56 -30.848 131.864 138.564 1.00 0.00 C ATOM 790 CD1 PHE A 56 -29.806 131.104 138.017 1.00 0.00 C ATOM 791 CD2 PHE A 56 -31.504 131.421 139.716 1.00 0.00 C ATOM 792 CE1 PHE A 56 -29.423 129.901 138.621 1.00 0.00 C ATOM 793 CE2 PHE A 56 -31.121 130.218 140.322 1.00 0.00 C ATOM 794 CZ PHE A 56 -30.081 129.457 139.773 1.00 0.00 C ATOM 0 H PHE A 56 -28.811 133.760 139.624 1.00 0.00 H new ATOM 0 HA PHE A 56 -30.495 135.150 137.738 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -32.335 133.317 138.051 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -31.112 133.076 136.819 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -29.298 131.447 137.128 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -32.307 132.007 140.139 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -28.620 129.316 138.198 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -31.628 129.877 141.213 1.00 0.00 H new ATOM 0 HZ PHE A 56 -29.787 128.528 140.239 1.00 0.00 H new ATOM 804 N LEU A 57 -32.186 135.603 139.608 1.00 0.00 N ATOM 805 CA LEU A 57 -32.895 136.197 140.745 1.00 0.00 C ATOM 806 C LEU A 57 -33.550 135.140 141.642 1.00 0.00 C ATOM 807 O LEU A 57 -33.775 135.382 142.831 1.00 0.00 O ATOM 808 CB LEU A 57 -33.959 137.173 140.216 1.00 0.00 C ATOM 809 CG LEU A 57 -34.639 137.942 141.367 1.00 0.00 C ATOM 810 CD1 LEU A 57 -33.638 138.900 142.051 1.00 0.00 C ATOM 811 CD2 LEU A 57 -35.814 138.743 140.785 1.00 0.00 C ATOM 0 H LEU A 57 -32.605 135.813 138.702 1.00 0.00 H new ATOM 0 HA LEU A 57 -32.165 136.725 141.359 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -33.496 137.880 139.528 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -34.711 136.623 139.650 1.00 0.00 H new ATOM 0 HG LEU A 57 -34.995 137.236 142.117 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -34.139 139.432 142.860 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -32.804 138.327 142.456 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -33.264 139.618 141.321 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -36.309 139.295 141.584 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -35.442 139.443 140.037 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -36.525 138.060 140.321 1.00 0.00 H new ATOM 823 N ASN A 58 -33.871 133.976 141.083 1.00 0.00 N ATOM 824 CA ASN A 58 -34.527 132.932 141.866 1.00 0.00 C ATOM 825 C ASN A 58 -33.500 132.187 142.695 1.00 0.00 C ATOM 826 O ASN A 58 -33.840 131.293 143.470 1.00 0.00 O ATOM 827 CB ASN A 58 -35.268 131.953 140.951 1.00 0.00 C ATOM 828 CG ASN A 58 -36.321 132.693 140.139 1.00 0.00 C ATOM 829 OD1 ASN A 58 -36.385 132.541 138.920 1.00 0.00 O ATOM 830 ND2 ASN A 58 -37.162 133.486 140.746 1.00 0.00 N ATOM 0 H ASN A 58 -33.692 133.734 140.108 1.00 0.00 H new ATOM 0 HA ASN A 58 -35.253 133.402 142.529 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -34.561 131.461 140.283 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -35.740 131.172 141.547 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -37.874 133.981 140.209 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -37.107 133.610 141.757 1.00 0.00 H new ATOM 837 N ASP A 59 -32.248 132.611 142.581 1.00 0.00 N ATOM 838 CA ASP A 59 -31.199 132.021 143.386 1.00 0.00 C ATOM 839 C ASP A 59 -31.519 132.323 144.835 1.00 0.00 C ATOM 840 O ASP A 59 -30.960 131.725 145.753 1.00 0.00 O ATOM 841 CB ASP A 59 -29.826 132.599 143.020 1.00 0.00 C ATOM 842 CG ASP A 59 -29.318 131.968 141.728 1.00 0.00 C ATOM 843 OD1 ASP A 59 -28.998 130.792 141.755 1.00 0.00 O ATOM 844 OD2 ASP A 59 -29.253 132.667 140.732 1.00 0.00 O1- ATOM 0 H ASP A 59 -31.942 133.350 141.948 1.00 0.00 H new ATOM 0 HA ASP A 59 -31.154 130.946 143.209 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -29.898 133.680 142.902 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -29.118 132.413 143.827 1.00 0.00 H new ATOM 849 N LYS A 60 -32.435 133.273 145.025 1.00 0.00 N ATOM 850 CA LYS A 60 -32.831 133.661 146.365 1.00 0.00 C ATOM 851 C LYS A 60 -33.621 132.534 147.024 1.00 0.00 C ATOM 852 O LYS A 60 -33.478 132.281 148.220 1.00 0.00 O ATOM 853 CB LYS A 60 -33.668 134.947 146.322 1.00 0.00 C ATOM 854 CG LYS A 60 -35.017 134.681 145.647 1.00 0.00 C ATOM 855 CD LYS A 60 -35.757 136.005 145.454 1.00 0.00 C ATOM 856 CE LYS A 60 -37.214 135.726 145.079 1.00 0.00 C ATOM 857 NZ LYS A 60 -37.887 137.005 144.715 1.00 0.00 N1+ ATOM 0 H LYS A 60 -32.907 133.778 144.275 1.00 0.00 H new ATOM 0 HA LYS A 60 -31.935 133.852 146.955 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -33.827 135.319 147.334 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -33.128 135.722 145.778 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -34.865 134.193 144.684 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -35.614 134.003 146.257 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -35.713 136.595 146.369 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -35.275 136.592 144.672 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -37.258 135.029 144.243 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -37.732 135.255 145.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -38.877 136.816 144.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -37.856 137.656 145.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -37.397 137.437 143.905 1.00 0.00 H new ATOM 871 N ASP A 61 -34.436 131.841 146.228 1.00 0.00 N ATOM 872 CA ASP A 61 -35.230 130.715 146.729 1.00 0.00 C ATOM 873 C ASP A 61 -34.444 129.417 146.562 1.00 0.00 C ATOM 874 O ASP A 61 -34.168 128.986 145.443 1.00 0.00 O ATOM 875 CB ASP A 61 -36.548 130.627 145.958 1.00 0.00 C ATOM 876 CG ASP A 61 -37.439 131.811 146.312 1.00 0.00 C ATOM 877 OD1 ASP A 61 -37.117 132.507 147.261 1.00 0.00 O ATOM 878 OD2 ASP A 61 -38.431 132.007 145.628 1.00 0.00 O1- ATOM 0 H ASP A 61 -34.565 132.038 145.235 1.00 0.00 H new ATOM 0 HA ASP A 61 -35.446 130.870 147.786 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -36.352 130.617 144.886 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -37.057 129.694 146.198 1.00 0.00 H new ATOM 883 N GLU A 62 -34.075 128.806 147.683 1.00 0.00 N ATOM 884 CA GLU A 62 -33.306 127.567 147.650 1.00 0.00 C ATOM 885 C GLU A 62 -34.067 126.466 146.922 1.00 0.00 C ATOM 886 O GLU A 62 -33.472 125.653 146.217 1.00 0.00 O ATOM 887 CB GLU A 62 -32.994 127.110 149.080 1.00 0.00 C ATOM 888 CG GLU A 62 -32.110 128.147 149.781 1.00 0.00 C ATOM 889 CD GLU A 62 -30.746 128.231 149.101 1.00 0.00 C ATOM 890 OE1 GLU A 62 -30.417 127.317 148.363 1.00 0.00 O ATOM 891 OE2 GLU A 62 -30.052 129.208 149.329 1.00 0.00 O1- ATOM 0 H GLU A 62 -34.294 129.146 148.620 1.00 0.00 H new ATOM 0 HA GLU A 62 -32.378 127.760 147.112 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -33.921 126.974 149.637 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -32.489 126.144 149.060 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -32.595 129.123 149.758 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -31.985 127.878 150.830 1.00 0.00 H new ATOM 898 N ASP A 63 -35.381 126.449 147.088 1.00 0.00 N ATOM 899 CA ASP A 63 -36.206 125.446 146.435 1.00 0.00 C ATOM 900 C ASP A 63 -36.116 125.618 144.937 1.00 0.00 C ATOM 901 O ASP A 63 -36.084 124.647 144.180 1.00 0.00 O ATOM 902 CB ASP A 63 -37.661 125.584 146.888 1.00 0.00 C ATOM 903 CG ASP A 63 -37.782 125.243 148.369 1.00 0.00 C ATOM 904 OD1 ASP A 63 -36.835 124.696 148.910 1.00 0.00 O ATOM 905 OD2 ASP A 63 -38.821 125.532 148.941 1.00 0.00 O1- ATOM 0 H ASP A 63 -35.896 127.114 147.665 1.00 0.00 H new ATOM 0 HA ASP A 63 -35.847 124.454 146.708 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -38.010 126.601 146.711 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -38.297 124.922 146.301 1.00 0.00 H new ATOM 910 N ALA A 64 -36.072 126.872 144.520 1.00 0.00 N ATOM 911 CA ALA A 64 -35.981 127.192 143.112 1.00 0.00 C ATOM 912 C ALA A 64 -34.654 126.718 142.533 1.00 0.00 C ATOM 913 O ALA A 64 -34.590 126.268 141.389 1.00 0.00 O ATOM 914 CB ALA A 64 -36.116 128.699 142.901 1.00 0.00 C ATOM 0 H ALA A 64 -36.098 127.682 145.139 1.00 0.00 H new ATOM 0 HA ALA A 64 -36.794 126.679 142.598 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -36.046 128.925 141.837 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -37.081 129.034 143.280 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -35.318 129.214 143.435 1.00 0.00 H new ATOM 920 N VAL A 65 -33.596 126.822 143.330 1.00 0.00 N ATOM 921 CA VAL A 65 -32.279 126.400 142.885 1.00 0.00 C ATOM 922 C VAL A 65 -32.251 124.893 142.709 1.00 0.00 C ATOM 923 O VAL A 65 -31.640 124.374 141.779 1.00 0.00 O ATOM 924 CB VAL A 65 -31.217 126.827 143.907 1.00 0.00 C ATOM 925 CG1 VAL A 65 -29.853 126.242 143.523 1.00 0.00 C ATOM 926 CG2 VAL A 65 -31.122 128.353 143.929 1.00 0.00 C ATOM 0 H VAL A 65 -33.627 127.192 144.280 1.00 0.00 H new ATOM 0 HA VAL A 65 -32.060 126.874 141.928 1.00 0.00 H new ATOM 0 HB VAL A 65 -31.501 126.458 144.892 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -29.106 126.551 144.254 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -29.916 125.154 143.505 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -29.566 126.605 142.536 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -30.368 128.660 144.654 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -30.842 128.714 142.939 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -32.088 128.774 144.209 1.00 0.00 H new ATOM 936 N LYS A 66 -32.923 124.200 143.617 1.00 0.00 N ATOM 937 CA LYS A 66 -32.981 122.757 143.569 1.00 0.00 C ATOM 938 C LYS A 66 -33.748 122.292 142.345 1.00 0.00 C ATOM 939 O LYS A 66 -33.374 121.324 141.687 1.00 0.00 O ATOM 940 CB LYS A 66 -33.663 122.222 144.827 1.00 0.00 C ATOM 941 CG LYS A 66 -32.763 122.471 146.035 1.00 0.00 C ATOM 942 CD LYS A 66 -33.498 122.075 147.323 1.00 0.00 C ATOM 943 CE LYS A 66 -33.735 120.559 147.362 1.00 0.00 C ATOM 944 NZ LYS A 66 -33.976 120.135 148.771 1.00 0.00 N1+ ATOM 0 H LYS A 66 -33.434 124.619 144.394 1.00 0.00 H new ATOM 0 HA LYS A 66 -31.962 122.375 143.513 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -34.626 122.713 144.969 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -33.862 121.156 144.721 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -31.843 121.895 145.939 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -32.478 123.522 146.077 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -32.913 122.380 148.191 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -34.452 122.600 147.381 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -34.591 120.297 146.740 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -32.871 120.034 146.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -34.137 119.108 148.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -33.147 120.373 149.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -34.813 120.628 149.144 1.00 0.00 H new ATOM 958 N ALA A 67 -34.829 122.989 142.053 1.00 0.00 N ATOM 959 CA ALA A 67 -35.653 122.640 140.919 1.00 0.00 C ATOM 960 C ALA A 67 -34.930 122.941 139.621 1.00 0.00 C ATOM 961 O ALA A 67 -34.919 122.133 138.692 1.00 0.00 O ATOM 962 CB ALA A 67 -36.967 123.420 140.967 1.00 0.00 C ATOM 0 H ALA A 67 -35.154 123.797 142.585 1.00 0.00 H new ATOM 0 HA ALA A 67 -35.864 121.572 140.964 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -37.582 123.150 140.108 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -37.501 123.177 141.886 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -36.757 124.489 140.941 1.00 0.00 H new ATOM 968 N GLY A 68 -34.343 124.120 139.570 1.00 0.00 N ATOM 969 CA GLY A 68 -33.631 124.555 138.388 1.00 0.00 C ATOM 970 C GLY A 68 -32.337 123.776 138.161 1.00 0.00 C ATOM 971 O GLY A 68 -32.082 123.298 137.057 1.00 0.00 O ATOM 0 H GLY A 68 -34.346 124.794 140.335 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -34.277 124.441 137.517 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -33.401 125.617 138.477 1.00 0.00 H new ATOM 975 N ILE A 69 -31.512 123.671 139.198 1.00 0.00 N ATOM 976 CA ILE A 69 -30.232 122.978 139.064 1.00 0.00 C ATOM 977 C ILE A 69 -30.419 121.531 138.621 1.00 0.00 C ATOM 978 O ILE A 69 -29.653 121.023 137.805 1.00 0.00 O ATOM 979 CB ILE A 69 -29.467 123.029 140.398 1.00 0.00 C ATOM 980 CG1 ILE A 69 -27.992 122.637 140.171 1.00 0.00 C ATOM 981 CG2 ILE A 69 -30.103 122.064 141.416 1.00 0.00 C ATOM 982 CD1 ILE A 69 -27.251 123.697 139.331 1.00 0.00 C ATOM 0 H ILE A 69 -31.700 124.049 140.126 1.00 0.00 H new ATOM 0 HA ILE A 69 -29.654 123.488 138.293 1.00 0.00 H new ATOM 0 HB ILE A 69 -29.518 124.045 140.791 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -27.493 122.519 141.133 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -27.944 121.672 139.666 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -29.552 122.111 142.355 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -31.140 122.350 141.590 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -30.068 121.047 141.025 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -26.215 123.390 139.190 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -27.736 123.796 138.360 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -27.278 124.656 139.849 1.00 0.00 H new ATOM 994 N LYS A 70 -31.446 120.882 139.141 1.00 0.00 N ATOM 995 CA LYS A 70 -31.723 119.508 138.766 1.00 0.00 C ATOM 996 C LYS A 70 -32.172 119.455 137.324 1.00 0.00 C ATOM 997 O LYS A 70 -31.839 118.525 136.589 1.00 0.00 O ATOM 998 CB LYS A 70 -32.787 118.903 139.683 1.00 0.00 C ATOM 999 CG LYS A 70 -32.179 118.636 141.065 1.00 0.00 C ATOM 1000 CD LYS A 70 -33.233 118.001 141.974 1.00 0.00 C ATOM 1001 CE LYS A 70 -32.658 117.830 143.381 1.00 0.00 C ATOM 1002 NZ LYS A 70 -31.423 116.998 143.316 1.00 0.00 N1+ ATOM 0 H LYS A 70 -32.096 121.281 139.818 1.00 0.00 H new ATOM 0 HA LYS A 70 -30.811 118.921 138.875 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -33.635 119.582 139.772 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -33.166 117.975 139.255 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -31.317 117.975 140.973 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -31.821 119.568 141.502 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -34.124 118.627 142.008 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -33.538 117.034 141.574 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -32.430 118.804 143.813 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -33.394 117.357 144.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -31.194 116.642 144.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -31.579 116.195 142.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -30.633 117.576 142.964 1.00 0.00 H new ATOM 1016 N ALA A 71 -32.919 120.470 136.916 1.00 0.00 N ATOM 1017 CA ALA A 71 -33.391 120.531 135.552 1.00 0.00 C ATOM 1018 C ALA A 71 -32.215 120.744 134.611 1.00 0.00 C ATOM 1019 O ALA A 71 -32.111 120.105 133.565 1.00 0.00 O ATOM 1020 CB ALA A 71 -34.396 121.674 135.391 1.00 0.00 C ATOM 0 H ALA A 71 -33.206 121.251 137.506 1.00 0.00 H new ATOM 0 HA ALA A 71 -33.884 119.591 135.307 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -34.744 121.710 134.359 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -35.245 121.509 136.055 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -33.916 122.619 135.645 1.00 0.00 H new ATOM 1026 N LEU A 72 -31.332 121.645 135.010 1.00 0.00 N ATOM 1027 CA LEU A 72 -30.142 121.959 134.226 1.00 0.00 C ATOM 1028 C LEU A 72 -29.152 120.804 134.253 1.00 0.00 C ATOM 1029 O LEU A 72 -28.469 120.530 133.265 1.00 0.00 O ATOM 1030 CB LEU A 72 -29.465 123.210 134.796 1.00 0.00 C ATOM 1031 CG LEU A 72 -30.414 124.424 134.712 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -29.967 125.502 135.705 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -30.390 125.034 133.300 1.00 0.00 C ATOM 0 H LEU A 72 -31.415 122.176 135.877 1.00 0.00 H new ATOM 0 HA LEU A 72 -30.450 122.135 133.195 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -29.179 123.035 135.833 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -28.549 123.418 134.244 1.00 0.00 H new ATOM 0 HG LEU A 72 -31.422 124.082 134.947 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -30.640 126.357 135.642 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -29.989 125.097 136.717 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -28.953 125.820 135.464 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -31.066 125.889 133.261 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -29.378 125.361 133.062 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -30.710 124.286 132.575 1.00 0.00 H new ATOM 1045 N GLN A 73 -29.067 120.143 135.400 1.00 0.00 N ATOM 1046 CA GLN A 73 -28.143 119.033 135.562 1.00 0.00 C ATOM 1047 C GLN A 73 -28.589 117.857 134.721 1.00 0.00 C ATOM 1048 O GLN A 73 -27.790 117.234 134.022 1.00 0.00 O ATOM 1049 CB GLN A 73 -28.067 118.620 137.038 1.00 0.00 C ATOM 1050 CG GLN A 73 -26.941 117.600 137.242 1.00 0.00 C ATOM 1051 CD GLN A 73 -25.587 118.274 137.051 1.00 0.00 C ATOM 1052 OE1 GLN A 73 -25.368 119.380 137.544 1.00 0.00 O ATOM 1053 NE2 GLN A 73 -24.659 117.669 136.362 1.00 0.00 N ATOM 0 H GLN A 73 -29.625 120.356 136.227 1.00 0.00 H new ATOM 0 HA GLN A 73 -27.154 119.350 135.231 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -27.891 119.497 137.661 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -29.018 118.191 137.353 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -27.005 117.170 138.242 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -27.051 116.778 136.534 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -24.843 116.752 135.954 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -23.750 118.113 136.231 1.00 0.00 H new ATOM 1062 N GLU A 74 -29.875 117.569 134.785 1.00 0.00 N ATOM 1063 CA GLU A 74 -30.429 116.473 134.017 1.00 0.00 C ATOM 1064 C GLU A 74 -30.443 116.829 132.543 1.00 0.00 C ATOM 1065 O GLU A 74 -30.203 115.987 131.676 1.00 0.00 O ATOM 1066 CB GLU A 74 -31.850 116.186 134.484 1.00 0.00 C ATOM 1067 CG GLU A 74 -32.372 114.912 133.810 1.00 0.00 C ATOM 1068 CD GLU A 74 -33.822 114.668 134.214 1.00 0.00 C ATOM 1069 OE1 GLU A 74 -34.356 115.480 134.951 1.00 0.00 O ATOM 1070 OE2 GLU A 74 -34.378 113.673 133.778 1.00 0.00 O1- ATOM 0 H GLU A 74 -30.551 118.075 135.357 1.00 0.00 H new ATOM 0 HA GLU A 74 -29.812 115.587 134.166 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -31.870 116.069 135.568 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -32.499 117.028 134.242 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -32.298 115.007 132.727 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -31.757 114.060 134.098 1.00 0.00 H new ATOM 1077 N ALA A 75 -30.723 118.090 132.280 1.00 0.00 N ATOM 1078 CA ALA A 75 -30.772 118.598 130.923 1.00 0.00 C ATOM 1079 C ALA A 75 -29.366 118.841 130.407 1.00 0.00 C ATOM 1080 O ALA A 75 -29.172 119.174 129.238 1.00 0.00 O ATOM 1081 CB ALA A 75 -31.552 119.910 130.901 1.00 0.00 C ATOM 0 H ALA A 75 -30.922 118.788 132.996 1.00 0.00 H new ATOM 0 HA ALA A 75 -31.265 117.864 130.285 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -31.590 120.294 129.881 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -32.566 119.737 131.261 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -31.058 120.638 131.544 1.00 0.00 H new ATOM 1087 N SER A 76 -28.391 118.713 131.300 1.00 0.00 N ATOM 1088 CA SER A 76 -27.001 118.971 130.933 1.00 0.00 C ATOM 1089 C SER A 76 -26.525 118.088 129.773 1.00 0.00 C ATOM 1090 O SER A 76 -26.014 118.586 128.767 1.00 0.00 O ATOM 1091 CB SER A 76 -26.104 118.714 132.144 1.00 0.00 C ATOM 1092 OG SER A 76 -24.786 119.159 131.855 1.00 0.00 O ATOM 0 H SER A 76 -28.533 118.436 132.271 1.00 0.00 H new ATOM 0 HA SER A 76 -26.939 120.010 130.609 1.00 0.00 H new ATOM 0 HB2 SER A 76 -26.494 119.237 133.017 1.00 0.00 H new ATOM 0 HB3 SER A 76 -26.096 117.651 132.386 1.00 0.00 H new ATOM 0 HG SER A 76 -24.795 120.125 131.691 1.00 0.00 H new ATOM 1098 N GLY A 77 -26.701 116.781 129.910 1.00 0.00 N ATOM 1099 CA GLY A 77 -26.262 115.855 128.870 1.00 0.00 C ATOM 1100 C GLY A 77 -26.942 116.132 127.538 1.00 0.00 C ATOM 1101 O GLY A 77 -26.328 116.017 126.477 1.00 0.00 O ATOM 0 H GLY A 77 -27.139 116.340 130.719 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -25.182 115.932 128.749 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -26.476 114.832 129.181 1.00 0.00 H new ATOM 1105 N PHE A 78 -28.214 116.478 127.600 1.00 0.00 N ATOM 1106 CA PHE A 78 -28.983 116.749 126.396 1.00 0.00 C ATOM 1107 C PHE A 78 -28.487 117.984 125.648 1.00 0.00 C ATOM 1108 O PHE A 78 -28.370 117.959 124.423 1.00 0.00 O ATOM 1109 CB PHE A 78 -30.446 116.947 126.776 1.00 0.00 C ATOM 1110 CG PHE A 78 -31.038 115.629 127.225 1.00 0.00 C ATOM 1111 CD1 PHE A 78 -31.641 114.781 126.289 1.00 0.00 C ATOM 1112 CD2 PHE A 78 -30.976 115.253 128.573 1.00 0.00 C ATOM 1113 CE1 PHE A 78 -32.184 113.558 126.701 1.00 0.00 C ATOM 1114 CE2 PHE A 78 -31.520 114.030 128.983 1.00 0.00 C ATOM 1115 CZ PHE A 78 -32.124 113.183 128.049 1.00 0.00 C ATOM 0 H PHE A 78 -28.738 116.578 128.469 1.00 0.00 H new ATOM 0 HA PHE A 78 -28.863 115.895 125.729 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -30.528 117.685 127.574 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -31.004 117.336 125.924 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -31.687 115.070 125.249 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -30.509 115.906 129.295 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -32.649 112.903 125.979 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -31.473 113.740 130.022 1.00 0.00 H new ATOM 0 HZ PHE A 78 -32.544 112.240 128.367 1.00 0.00 H new ATOM 1125 N ILE A 79 -28.210 119.071 126.368 1.00 0.00 N ATOM 1126 CA ILE A 79 -27.749 120.286 125.699 1.00 0.00 C ATOM 1127 C ILE A 79 -26.355 120.101 125.125 1.00 0.00 C ATOM 1128 O ILE A 79 -26.037 120.615 124.057 1.00 0.00 O ATOM 1129 CB ILE A 79 -27.802 121.504 126.637 1.00 0.00 C ATOM 1130 CG1 ILE A 79 -26.940 121.260 127.870 1.00 0.00 C ATOM 1131 CG2 ILE A 79 -29.248 121.740 127.075 1.00 0.00 C ATOM 1132 CD1 ILE A 79 -26.884 122.526 128.730 1.00 0.00 C ATOM 0 H ILE A 79 -28.293 119.136 127.383 1.00 0.00 H new ATOM 0 HA ILE A 79 -28.431 120.480 124.871 1.00 0.00 H new ATOM 0 HB ILE A 79 -27.424 122.377 126.105 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -27.348 120.433 128.451 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -25.933 120.971 127.568 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -29.291 122.602 127.740 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -29.868 121.927 126.198 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -29.618 120.859 127.599 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -26.266 122.342 129.609 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -26.455 123.342 128.149 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -27.892 122.796 129.046 1.00 0.00 H new ATOM 1144 N ARG A 80 -25.531 119.375 125.857 1.00 0.00 N ATOM 1145 CA ARG A 80 -24.152 119.131 125.442 1.00 0.00 C ATOM 1146 C ARG A 80 -24.088 118.358 124.141 1.00 0.00 C ATOM 1147 O ARG A 80 -23.339 118.704 123.227 1.00 0.00 O ATOM 1148 CB ARG A 80 -23.428 118.338 126.527 1.00 0.00 C ATOM 1149 CG ARG A 80 -21.968 118.124 126.123 1.00 0.00 C ATOM 1150 CD ARG A 80 -21.196 117.520 127.298 1.00 0.00 C ATOM 1151 NE ARG A 80 -21.643 116.154 127.546 1.00 0.00 N ATOM 1152 CZ ARG A 80 -21.290 115.506 128.652 1.00 0.00 C ATOM 1153 NH1 ARG A 80 -21.703 114.284 128.852 1.00 0.00 N1+ ATOM 1154 NH2 ARG A 80 -20.531 116.093 129.537 1.00 0.00 N ATOM 0 H ARG A 80 -25.788 118.941 126.744 1.00 0.00 H new ATOM 0 HA ARG A 80 -23.673 120.098 125.290 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -23.478 118.872 127.476 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -23.919 117.376 126.676 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -21.912 117.462 125.259 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -21.519 119.072 125.828 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -20.128 117.527 127.083 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -21.345 118.127 128.191 1.00 0.00 H new ATOM 0 HE ARG A 80 -22.236 115.688 126.860 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -22.296 113.826 128.160 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -21.432 113.787 129.700 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -20.209 117.048 129.380 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -20.260 115.597 130.386 1.00 0.00 H new ATOM 1168 N SER A 81 -24.882 117.313 124.073 1.00 0.00 N ATOM 1169 CA SER A 81 -24.932 116.479 122.894 1.00 0.00 C ATOM 1170 C SER A 81 -25.531 117.255 121.747 1.00 0.00 C ATOM 1171 O SER A 81 -25.115 117.135 120.600 1.00 0.00 O ATOM 1172 CB SER A 81 -25.799 115.265 123.187 1.00 0.00 C ATOM 1173 OG SER A 81 -25.690 114.334 122.119 1.00 0.00 O ATOM 0 H SER A 81 -25.505 117.020 124.825 1.00 0.00 H new ATOM 0 HA SER A 81 -23.924 116.162 122.626 1.00 0.00 H new ATOM 0 HB2 SER A 81 -25.487 114.800 124.122 1.00 0.00 H new ATOM 0 HB3 SER A 81 -26.838 115.569 123.313 1.00 0.00 H new ATOM 0 HG SER A 81 -26.248 113.551 122.309 1.00 0.00 H new ATOM 1179 N LEU A 82 -26.520 118.051 122.091 1.00 0.00 N ATOM 1180 CA LEU A 82 -27.215 118.863 121.124 1.00 0.00 C ATOM 1181 C LEU A 82 -26.304 119.959 120.607 1.00 0.00 C ATOM 1182 O LEU A 82 -26.372 120.352 119.442 1.00 0.00 O ATOM 1183 CB LEU A 82 -28.465 119.463 121.773 1.00 0.00 C ATOM 1184 CG LEU A 82 -29.289 120.258 120.739 1.00 0.00 C ATOM 1185 CD1 LEU A 82 -29.786 119.329 119.603 1.00 0.00 C ATOM 1186 CD2 LEU A 82 -30.494 120.903 121.452 1.00 0.00 C ATOM 0 H LEU A 82 -26.862 118.151 123.047 1.00 0.00 H new ATOM 0 HA LEU A 82 -27.514 118.244 120.278 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -29.077 118.668 122.199 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -28.175 120.117 122.595 1.00 0.00 H new ATOM 0 HG LEU A 82 -28.659 121.030 120.296 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -30.365 119.910 118.885 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -28.930 118.879 119.100 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -30.413 118.543 120.024 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -31.084 121.468 120.730 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -31.113 120.124 121.897 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -30.138 121.574 122.234 1.00 0.00 H new ATOM 1198 N LEU A 83 -25.453 120.442 121.493 1.00 0.00 N ATOM 1199 CA LEU A 83 -24.517 121.495 121.148 1.00 0.00 C ATOM 1200 C LEU A 83 -23.507 120.974 120.147 1.00 0.00 C ATOM 1201 O LEU A 83 -23.211 121.620 119.141 1.00 0.00 O ATOM 1202 CB LEU A 83 -23.788 121.948 122.413 1.00 0.00 C ATOM 1203 CG LEU A 83 -22.917 123.199 122.142 1.00 0.00 C ATOM 1204 CD1 LEU A 83 -23.766 124.473 122.144 1.00 0.00 C ATOM 1205 CD2 LEU A 83 -21.841 123.313 123.229 1.00 0.00 C ATOM 0 H LEU A 83 -25.391 120.121 122.459 1.00 0.00 H new ATOM 0 HA LEU A 83 -25.058 122.334 120.710 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -24.515 122.170 123.194 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -23.160 121.138 122.783 1.00 0.00 H new ATOM 0 HG LEU A 83 -22.456 123.090 121.160 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -23.128 125.336 121.951 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -24.528 124.404 121.367 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -24.248 124.588 123.115 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -21.226 124.193 123.041 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -22.318 123.405 124.205 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -21.213 122.422 123.215 1.00 0.00 H new ATOM 1217 N GLY A 84 -22.978 119.800 120.443 1.00 0.00 N ATOM 1218 CA GLY A 84 -21.994 119.189 119.577 1.00 0.00 C ATOM 1219 C GLY A 84 -22.556 118.985 118.178 1.00 0.00 C ATOM 1220 O GLY A 84 -21.873 119.215 117.182 1.00 0.00 O ATOM 0 H GLY A 84 -23.214 119.256 121.273 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -21.105 119.818 119.528 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -21.683 118.230 119.992 1.00 0.00 H new ATOM 1224 N LYS A 85 -23.810 118.560 118.117 1.00 0.00 N ATOM 1225 CA LYS A 85 -24.470 118.334 116.830 1.00 0.00 C ATOM 1226 C LYS A 85 -24.644 119.636 116.065 1.00 0.00 C ATOM 1227 O LYS A 85 -24.451 119.687 114.851 1.00 0.00 O ATOM 1228 CB LYS A 85 -25.837 117.681 117.038 1.00 0.00 C ATOM 1229 CG LYS A 85 -25.646 116.238 117.498 1.00 0.00 C ATOM 1230 CD LYS A 85 -27.011 115.565 117.653 1.00 0.00 C ATOM 1231 CE LYS A 85 -26.823 114.154 118.216 1.00 0.00 C ATOM 1232 NZ LYS A 85 -28.157 113.535 118.458 1.00 0.00 N1+ ATOM 0 H LYS A 85 -24.390 118.365 118.933 1.00 0.00 H new ATOM 0 HA LYS A 85 -23.834 117.668 116.246 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -26.409 118.238 117.780 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -26.409 117.706 116.110 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -25.040 115.692 116.775 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -25.108 116.216 118.446 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -27.644 116.152 118.318 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -27.517 115.519 116.689 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -26.249 113.545 117.517 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -26.255 114.194 119.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -28.031 112.576 118.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -28.689 114.112 119.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -28.684 113.484 117.563 1.00 0.00 H new ATOM 1246 N ALA A 86 -25.007 120.682 116.786 1.00 0.00 N ATOM 1247 CA ALA A 86 -25.206 121.988 116.167 1.00 0.00 C ATOM 1248 C ALA A 86 -23.896 122.467 115.567 1.00 0.00 C ATOM 1249 O ALA A 86 -23.856 122.971 114.444 1.00 0.00 O ATOM 1250 CB ALA A 86 -25.699 122.995 117.206 1.00 0.00 C ATOM 0 H ALA A 86 -25.170 120.658 117.793 1.00 0.00 H new ATOM 0 HA ALA A 86 -25.956 121.900 115.381 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -25.844 123.966 116.732 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -26.645 122.652 117.626 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -24.961 123.087 118.003 1.00 0.00 H new ATOM 1256 N MET A 87 -22.818 122.273 116.317 1.00 0.00 N ATOM 1257 CA MET A 87 -21.490 122.647 115.857 1.00 0.00 C ATOM 1258 C MET A 87 -20.956 121.538 114.960 1.00 0.00 C ATOM 1259 O MET A 87 -20.002 121.730 114.208 1.00 0.00 O ATOM 1260 CB MET A 87 -20.552 122.848 117.048 1.00 0.00 C ATOM 1261 CG MET A 87 -21.116 123.926 117.976 1.00 0.00 C ATOM 1262 SD MET A 87 -19.924 124.255 119.296 1.00 0.00 S ATOM 1263 CE MET A 87 -20.924 125.448 120.218 1.00 0.00 C ATOM 0 H MET A 87 -22.840 121.858 117.248 1.00 0.00 H new ATOM 0 HA MET A 87 -21.546 123.583 115.302 1.00 0.00 H new ATOM 0 HB2 MET A 87 -20.435 121.911 117.593 1.00 0.00 H new ATOM 0 HB3 MET A 87 -19.562 123.139 116.698 1.00 0.00 H new ATOM 0 HG2 MET A 87 -21.316 124.838 117.414 1.00 0.00 H new ATOM 0 HG3 MET A 87 -22.065 123.598 118.400 1.00 0.00 H new ATOM 0 HE1 MET A 87 -20.647 125.418 121.272 1.00 0.00 H new ATOM 0 HE2 MET A 87 -20.749 126.450 119.825 1.00 0.00 H new ATOM 0 HE3 MET A 87 -21.979 125.196 120.113 1.00 0.00 H new ATOM 1273 N ARG A 88 -21.590 120.369 115.071 1.00 0.00 N ATOM 1274 CA ARG A 88 -21.198 119.199 114.294 1.00 0.00 C ATOM 1275 C ARG A 88 -19.740 118.850 114.565 1.00 0.00 C ATOM 1276 O ARG A 88 -19.021 118.383 113.681 1.00 0.00 O ATOM 1277 CB ARG A 88 -21.408 119.461 112.803 1.00 0.00 C ATOM 1278 CG ARG A 88 -22.897 119.673 112.526 1.00 0.00 C ATOM 1279 CD ARG A 88 -23.120 119.829 111.020 1.00 0.00 C ATOM 1280 NE ARG A 88 -22.873 118.563 110.341 1.00 0.00 N ATOM 1281 CZ ARG A 88 -22.846 118.490 109.014 1.00 0.00 C ATOM 1282 NH1 ARG A 88 -22.622 117.344 108.428 1.00 0.00 N1+ ATOM 1283 NH2 ARG A 88 -23.042 119.562 108.297 1.00 0.00 N ATOM 0 H ARG A 88 -22.381 120.211 115.696 1.00 0.00 H new ATOM 0 HA ARG A 88 -21.821 118.356 114.594 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -20.841 120.339 112.494 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -21.035 118.620 112.219 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -23.472 118.827 112.904 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -23.253 120.560 113.051 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -24.141 120.160 110.828 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -22.456 120.598 110.624 1.00 0.00 H new ATOM 0 HE ARG A 88 -22.718 117.719 110.893 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -22.468 116.506 108.989 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -22.601 117.287 107.410 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -23.216 120.457 108.755 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -23.021 119.505 107.279 1.00 0.00 H new ATOM 1297 N LEU A 89 -19.313 119.087 115.807 1.00 0.00 N ATOM 1298 CA LEU A 89 -17.936 118.810 116.237 1.00 0.00 C ATOM 1299 C LEU A 89 -17.842 117.511 117.025 1.00 0.00 C ATOM 1300 O LEU A 89 -18.708 117.197 117.841 1.00 0.00 O ATOM 1301 CB LEU A 89 -17.448 119.951 117.127 1.00 0.00 C ATOM 1302 CG LEU A 89 -17.362 121.259 116.324 1.00 0.00 C ATOM 1303 CD1 LEU A 89 -17.109 122.417 117.299 1.00 0.00 C ATOM 1304 CD2 LEU A 89 -16.214 121.187 115.283 1.00 0.00 C ATOM 0 H LEU A 89 -19.906 119.474 116.541 1.00 0.00 H new ATOM 0 HA LEU A 89 -17.320 118.719 115.342 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -18.127 120.079 117.970 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -16.470 119.705 117.540 1.00 0.00 H new ATOM 0 HG LEU A 89 -18.298 121.416 115.788 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -17.045 123.353 116.744 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -17.928 122.475 118.015 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -16.173 122.247 117.831 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -16.170 122.122 114.725 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -15.266 121.026 115.797 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -16.398 120.362 114.595 1.00 0.00 H new ATOM 1316 N ARG A 90 -16.756 116.773 116.787 1.00 0.00 N ATOM 1317 CA ARG A 90 -16.496 115.511 117.486 1.00 0.00 C ATOM 1318 C ARG A 90 -15.533 115.760 118.643 1.00 0.00 C ATOM 1319 O ARG A 90 -15.306 114.885 119.479 1.00 0.00 O ATOM 1320 CB ARG A 90 -15.876 114.502 116.517 1.00 0.00 C ATOM 1321 CG ARG A 90 -16.854 114.220 115.374 1.00 0.00 C ATOM 1322 CD ARG A 90 -16.276 113.138 114.463 1.00 0.00 C ATOM 1323 NE ARG A 90 -17.088 113.005 113.258 1.00 0.00 N ATOM 1324 CZ ARG A 90 -18.286 112.429 113.298 1.00 0.00 C ATOM 1325 NH1 ARG A 90 -18.993 112.320 112.206 1.00 0.00 N1+ ATOM 1326 NH2 ARG A 90 -18.755 111.975 114.427 1.00 0.00 N ATOM 0 H ARG A 90 -16.037 117.029 116.110 1.00 0.00 H new ATOM 0 HA ARG A 90 -17.435 115.112 117.871 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.939 114.893 116.119 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -15.638 113.577 117.042 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -17.815 113.897 115.775 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -17.036 115.131 114.804 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -15.250 113.390 114.193 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -16.241 112.186 114.993 1.00 0.00 H new ATOM 0 HE ARG A 90 -16.731 113.360 112.371 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -18.626 112.676 111.323 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -19.912 111.878 112.235 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -18.203 112.062 115.280 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -19.674 111.533 114.457 1.00 0.00 H new ATOM 1340 N ILE A 91 -14.957 116.972 118.672 1.00 0.00 N ATOM 1341 CA ILE A 91 -13.994 117.373 119.718 1.00 0.00 C ATOM 1342 C ILE A 91 -14.622 118.364 120.693 1.00 0.00 C ATOM 1343 O ILE A 91 -13.945 119.255 121.208 1.00 0.00 O ATOM 1344 CB ILE A 91 -12.729 117.993 119.081 1.00 0.00 C ATOM 1345 CG1 ILE A 91 -13.090 119.039 117.995 1.00 0.00 C ATOM 1346 CG2 ILE A 91 -11.899 116.878 118.433 1.00 0.00 C ATOM 1347 CD1 ILE A 91 -13.601 120.346 118.622 1.00 0.00 C ATOM 0 H ILE A 91 -15.141 117.698 117.979 1.00 0.00 H new ATOM 0 HA ILE A 91 -13.712 116.477 120.271 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.165 118.495 119.867 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.213 119.247 117.382 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -13.852 118.629 117.332 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -11.004 117.306 117.981 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -11.610 116.152 119.192 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.492 116.383 117.664 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -13.845 121.057 117.833 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -14.493 120.141 119.214 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -12.828 120.768 119.264 1.00 0.00 H new ATOM 1359 N VAL A 92 -15.914 118.204 120.953 1.00 0.00 N ATOM 1360 CA VAL A 92 -16.607 119.084 121.868 1.00 0.00 C ATOM 1361 C VAL A 92 -16.172 118.750 123.307 1.00 0.00 C ATOM 1362 O VAL A 92 -16.274 117.592 123.715 1.00 0.00 O ATOM 1363 CB VAL A 92 -18.124 118.894 121.725 1.00 0.00 C ATOM 1364 CG1 VAL A 92 -18.499 117.428 121.977 1.00 0.00 C ATOM 1365 CG2 VAL A 92 -18.848 119.791 122.735 1.00 0.00 C ATOM 0 H VAL A 92 -16.496 117.474 120.542 1.00 0.00 H new ATOM 0 HA VAL A 92 -16.360 120.121 121.640 1.00 0.00 H new ATOM 0 HB VAL A 92 -18.423 119.166 120.713 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -19.577 117.305 121.873 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.990 116.792 121.253 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -18.197 117.143 122.985 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -19.925 119.657 122.634 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -18.542 119.522 123.746 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -18.593 120.833 122.544 1.00 0.00 H new ATOM 1375 N PRO A 93 -15.678 119.692 124.087 1.00 0.00 N ATOM 1376 CA PRO A 93 -15.230 119.394 125.481 1.00 0.00 C ATOM 1377 C PRO A 93 -16.401 119.216 126.439 1.00 0.00 C ATOM 1378 O PRO A 93 -17.502 119.707 126.188 1.00 0.00 O ATOM 1379 CB PRO A 93 -14.390 120.624 125.843 1.00 0.00 C ATOM 1380 CG PRO A 93 -15.043 121.733 125.091 1.00 0.00 C ATOM 1381 CD PRO A 93 -15.486 121.123 123.763 1.00 0.00 C ATOM 0 HA PRO A 93 -14.679 118.456 125.553 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -14.396 120.811 126.917 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -13.348 120.499 125.547 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.894 122.133 125.642 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.350 122.559 124.931 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -16.407 121.579 123.399 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -14.733 121.261 122.987 1.00 0.00 H new ATOM 1389 N GLU A 94 -16.151 118.525 127.544 1.00 0.00 N ATOM 1390 CA GLU A 94 -17.197 118.315 128.534 1.00 0.00 C ATOM 1391 C GLU A 94 -17.659 119.659 129.077 1.00 0.00 C ATOM 1392 O GLU A 94 -16.845 120.548 129.326 1.00 0.00 O ATOM 1393 CB GLU A 94 -16.683 117.449 129.688 1.00 0.00 C ATOM 1394 CG GLU A 94 -16.351 116.036 129.183 1.00 0.00 C ATOM 1395 CD GLU A 94 -15.004 116.019 128.463 1.00 0.00 C ATOM 1396 OE1 GLU A 94 -14.184 116.872 128.753 1.00 0.00 O ATOM 1397 OE2 GLU A 94 -14.813 115.147 127.631 1.00 0.00 O1- ATOM 0 H GLU A 94 -15.249 118.107 127.774 1.00 0.00 H new ATOM 0 HA GLU A 94 -18.031 117.801 128.056 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -15.795 117.904 130.127 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -17.435 117.395 130.475 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -16.328 115.341 130.022 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -17.134 115.693 128.507 1.00 0.00 H new ATOM 1404 N LEU A 95 -18.971 119.810 129.257 1.00 0.00 N ATOM 1405 CA LEU A 95 -19.544 121.060 129.774 1.00 0.00 C ATOM 1406 C LEU A 95 -19.893 120.916 131.247 1.00 0.00 C ATOM 1407 O LEU A 95 -20.559 119.963 131.650 1.00 0.00 O ATOM 1408 CB LEU A 95 -20.815 121.401 128.992 1.00 0.00 C ATOM 1409 CG LEU A 95 -20.522 121.403 127.485 1.00 0.00 C ATOM 1410 CD1 LEU A 95 -21.815 121.722 126.723 1.00 0.00 C ATOM 1411 CD2 LEU A 95 -19.447 122.460 127.152 1.00 0.00 C ATOM 0 H LEU A 95 -19.659 119.085 129.054 1.00 0.00 H new ATOM 0 HA LEU A 95 -18.807 121.855 129.658 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -21.596 120.675 129.218 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -21.189 122.378 129.299 1.00 0.00 H new ATOM 0 HG LEU A 95 -20.151 120.422 127.189 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -21.615 121.725 125.652 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -22.567 120.966 126.949 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -22.184 122.702 127.026 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -19.248 122.452 126.080 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -19.803 123.447 127.447 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -18.529 122.229 127.693 1.00 0.00 H new ATOM 1423 N THR A 96 -19.450 121.887 132.051 1.00 0.00 N ATOM 1424 CA THR A 96 -19.721 121.900 133.500 1.00 0.00 C ATOM 1425 C THR A 96 -20.450 123.183 133.875 1.00 0.00 C ATOM 1426 O THR A 96 -20.032 124.270 133.488 1.00 0.00 O ATOM 1427 CB THR A 96 -18.399 121.819 134.269 1.00 0.00 C ATOM 1428 OG1 THR A 96 -17.782 120.563 134.018 1.00 0.00 O ATOM 1429 CG2 THR A 96 -18.656 121.982 135.767 1.00 0.00 C ATOM 0 H THR A 96 -18.899 122.681 131.725 1.00 0.00 H new ATOM 0 HA THR A 96 -20.344 121.043 133.757 1.00 0.00 H new ATOM 0 HB THR A 96 -17.738 122.620 133.936 1.00 0.00 H new ATOM 0 HG1 THR A 96 -16.935 120.511 134.508 1.00 0.00 H new ATOM 0 HG21 THR A 96 -17.711 121.923 136.307 1.00 0.00 H new ATOM 0 HG22 THR A 96 -19.121 122.950 135.953 1.00 0.00 H new ATOM 0 HG23 THR A 96 -19.320 121.189 136.111 1.00 0.00 H new ATOM 1437 N PHE A 97 -21.544 123.051 134.635 1.00 0.00 N ATOM 1438 CA PHE A 97 -22.343 124.212 135.069 1.00 0.00 C ATOM 1439 C PHE A 97 -22.151 124.482 136.553 1.00 0.00 C ATOM 1440 O PHE A 97 -22.289 123.588 137.387 1.00 0.00 O ATOM 1441 CB PHE A 97 -23.821 123.947 134.779 1.00 0.00 C ATOM 1442 CG PHE A 97 -24.026 123.909 133.284 1.00 0.00 C ATOM 1443 CD1 PHE A 97 -24.323 125.088 132.592 1.00 0.00 C ATOM 1444 CD2 PHE A 97 -23.904 122.700 132.589 1.00 0.00 C ATOM 1445 CE1 PHE A 97 -24.499 125.059 131.204 1.00 0.00 C ATOM 1446 CE2 PHE A 97 -24.081 122.672 131.201 1.00 0.00 C ATOM 1447 CZ PHE A 97 -24.378 123.852 130.509 1.00 0.00 C ATOM 0 H PHE A 97 -21.899 122.153 134.964 1.00 0.00 H new ATOM 0 HA PHE A 97 -22.008 125.090 134.517 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -24.129 123.002 135.226 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -24.438 124.727 135.225 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -24.416 126.020 133.129 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -23.674 121.790 133.123 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -24.728 125.969 130.670 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -23.988 121.740 130.664 1.00 0.00 H new ATOM 0 HZ PHE A 97 -24.514 123.830 129.438 1.00 0.00 H new ATOM 1457 N PHE A 98 -21.833 125.741 136.871 1.00 0.00 N ATOM 1458 CA PHE A 98 -21.617 126.179 138.260 1.00 0.00 C ATOM 1459 C PHE A 98 -22.444 127.430 138.534 1.00 0.00 C ATOM 1460 O PHE A 98 -22.732 128.202 137.620 1.00 0.00 O ATOM 1461 CB PHE A 98 -20.133 126.482 138.479 1.00 0.00 C ATOM 1462 CG PHE A 98 -19.856 126.645 139.956 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -19.955 127.905 140.558 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -19.495 125.530 140.724 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -19.692 128.050 141.926 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -19.234 125.676 142.091 1.00 0.00 C ATOM 1467 CZ PHE A 98 -19.332 126.936 142.692 1.00 0.00 C ATOM 0 H PHE A 98 -21.718 126.483 136.181 1.00 0.00 H new ATOM 0 HA PHE A 98 -21.925 125.387 138.942 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -19.524 125.675 138.072 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -19.855 127.391 137.945 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -20.234 128.765 139.968 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -19.418 124.557 140.261 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -19.767 129.022 142.390 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -18.957 124.816 142.682 1.00 0.00 H new ATOM 0 HZ PHE A 98 -19.130 127.048 143.747 1.00 0.00 H new ATOM 1477 N TYR A 99 -22.827 127.633 139.797 1.00 0.00 N ATOM 1478 CA TYR A 99 -23.631 128.803 140.193 1.00 0.00 C ATOM 1479 C TYR A 99 -22.764 129.827 140.919 1.00 0.00 C ATOM 1480 O TYR A 99 -22.008 129.479 141.826 1.00 0.00 O ATOM 1481 CB TYR A 99 -24.768 128.350 141.114 1.00 0.00 C ATOM 1482 CG TYR A 99 -24.198 127.837 142.417 1.00 0.00 C ATOM 1483 CD1 TYR A 99 -23.998 128.714 143.489 1.00 0.00 C ATOM 1484 CD2 TYR A 99 -23.872 126.482 142.551 1.00 0.00 C ATOM 1485 CE1 TYR A 99 -23.472 128.237 144.696 1.00 0.00 C ATOM 1486 CE2 TYR A 99 -23.345 126.005 143.758 1.00 0.00 C ATOM 1487 CZ TYR A 99 -23.145 126.882 144.830 1.00 0.00 C ATOM 1488 OH TYR A 99 -22.627 126.412 146.020 1.00 0.00 O ATOM 0 H TYR A 99 -22.596 127.005 140.567 1.00 0.00 H new ATOM 0 HA TYR A 99 -24.043 129.267 139.297 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -25.446 129.181 141.306 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -25.352 127.568 140.629 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -24.249 129.759 143.385 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -24.027 125.805 141.724 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -23.319 128.914 145.523 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -23.093 124.960 143.861 1.00 0.00 H new ATOM 0 HH TYR A 99 -22.456 125.450 145.945 1.00 0.00 H new ATOM 1498 N ASP A 100 -22.882 131.100 140.518 1.00 0.00 N ATOM 1499 CA ASP A 100 -22.107 132.195 141.135 1.00 0.00 C ATOM 1500 C ASP A 100 -23.020 133.362 141.498 1.00 0.00 C ATOM 1501 O ASP A 100 -23.991 133.649 140.798 1.00 0.00 O ATOM 1502 CB ASP A 100 -21.018 132.674 140.167 1.00 0.00 C ATOM 1503 CG ASP A 100 -21.640 133.191 138.873 1.00 0.00 C ATOM 1504 OD1 ASP A 100 -22.854 133.194 138.778 1.00 0.00 O ATOM 1505 OD2 ASP A 100 -20.888 133.583 137.996 1.00 0.00 O1- ATOM 0 H ASP A 100 -23.506 131.401 139.769 1.00 0.00 H new ATOM 0 HA ASP A 100 -21.643 131.818 142.046 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -20.429 133.463 140.635 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -20.334 131.855 139.946 1.00 0.00 H new TER 1510 ASP A 100