USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 785 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 96 LYS NZ :NH3+ -140:sc= 0.964 (180deg=-0.0206) USER MOD Set 1.2: A 100 GLN : amide:sc= -1.2! C(o=-0.23!,f=-6.2!) USER MOD Set 2.1: A 27 HIS : no HD1:sc= -7.84! C(o=-7.8!,f=-9.4!) USER MOD Set 2.2: A 31 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0645 (180deg=0) USER MOD Single : A 2 SER OG : rot 50:sc= 0.106 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 53:sc= 0.129 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.53) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc=-0.00746 X(o=-0.0075,f=-0.18) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.36 USER MOD Single : A 35 SER OG : rot -45:sc= 0.526 USER MOD Single : A 38 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.1) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -3.29! K(o=-3.3!,f=-0.58) USER MOD Single : A 48 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.15) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.484 K(o=-0.48,f=-2.8!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 110:sc= -1.18 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.0038) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc= 0.139 USER MOD Single : A 81 THR OG1 : rot 40:sc= 0.0846 USER MOD Single : A 87 LYS NZ :NH3+ -140:sc= -0.685 (180deg=-1.64) USER MOD Single : A 89 ASN : amide:sc= -4.06! C(o=-4.1!,f=-5.2!) USER MOD Single : A 92 SER OG : rot 180:sc=-0.00637 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.312 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 ASN : amide:sc= -0.0353 X(o=-0.035,f=-0.33) USER MOD Single : A 108 SER OG : rot 117:sc= -2.55 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0675 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 115 SER OG : rot -52:sc= -0.86 USER MOD Single : A 117 MET CE :methyl 144:sc= -1.91 (180deg=-3.62!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc=-0.00666 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.527 -9.218 28.616 1.00 0.00 N ATOM 2 CA GLY A 1 -17.802 -8.777 27.435 1.00 0.00 C ATOM 3 C GLY A 1 -17.554 -9.945 26.477 1.00 0.00 C ATOM 4 O GLY A 1 -17.529 -11.101 26.896 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.512 -8.889 28.562 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.511 -10.257 28.665 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.077 -8.824 29.467 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.369 -7.998 26.925 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.850 -8.336 27.731 1.00 0.00 H new ATOM 8 N SER A 2 -17.375 -9.601 25.211 1.00 0.00 N ATOM 9 CA SER A 2 -17.129 -10.605 24.190 1.00 0.00 C ATOM 10 C SER A 2 -16.629 -9.936 22.907 1.00 0.00 C ATOM 11 O SER A 2 -16.821 -8.737 22.713 1.00 0.00 O ATOM 12 CB SER A 2 -18.390 -11.422 23.905 1.00 0.00 C ATOM 13 OG SER A 2 -18.318 -12.729 24.469 1.00 0.00 O ATOM 0 H SER A 2 -17.395 -8.640 24.868 1.00 0.00 H new ATOM 0 HA SER A 2 -16.363 -11.287 24.559 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.258 -10.901 24.308 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.536 -11.500 22.828 1.00 0.00 H new ATOM 0 HG SER A 2 -18.048 -12.665 25.409 1.00 0.00 H new ATOM 18 N SER A 3 -15.998 -10.741 22.065 1.00 0.00 N ATOM 19 CA SER A 3 -15.470 -10.243 20.807 1.00 0.00 C ATOM 20 C SER A 3 -15.891 -11.164 19.661 1.00 0.00 C ATOM 21 O SER A 3 -16.501 -10.714 18.691 1.00 0.00 O ATOM 22 CB SER A 3 -13.945 -10.124 20.859 1.00 0.00 C ATOM 23 OG SER A 3 -13.426 -9.411 19.739 1.00 0.00 O ATOM 0 H SER A 3 -15.841 -11.735 22.230 1.00 0.00 H new ATOM 0 HA SER A 3 -15.880 -9.248 20.634 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.652 -9.617 21.779 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.505 -11.121 20.890 1.00 0.00 H new ATOM 0 HG SER A 3 -12.450 -9.355 19.810 1.00 0.00 H new ATOM 28 N GLY A 4 -15.551 -12.436 19.810 1.00 0.00 N ATOM 29 CA GLY A 4 -15.887 -13.423 18.799 1.00 0.00 C ATOM 30 C GLY A 4 -14.647 -14.202 18.358 1.00 0.00 C ATOM 31 O GLY A 4 -13.673 -14.299 19.104 1.00 0.00 O ATOM 0 H GLY A 4 -15.046 -12.805 20.616 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.633 -14.113 19.193 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.335 -12.928 17.937 1.00 0.00 H new ATOM 35 N SER A 5 -14.720 -14.739 17.148 1.00 0.00 N ATOM 36 CA SER A 5 -13.616 -15.505 16.600 1.00 0.00 C ATOM 37 C SER A 5 -13.865 -15.798 15.119 1.00 0.00 C ATOM 38 O SER A 5 -15.011 -15.917 14.692 1.00 0.00 O ATOM 39 CB SER A 5 -13.414 -16.810 17.373 1.00 0.00 C ATOM 40 OG SER A 5 -12.250 -16.771 18.192 1.00 0.00 O ATOM 0 H SER A 5 -15.529 -14.658 16.532 1.00 0.00 H new ATOM 0 HA SER A 5 -12.707 -14.912 16.698 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.288 -17.002 17.995 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.335 -17.639 16.670 1.00 0.00 H new ATOM 0 HG SER A 5 -12.282 -15.979 18.769 1.00 0.00 H new ATOM 45 N SER A 6 -12.773 -15.904 14.378 1.00 0.00 N ATOM 46 CA SER A 6 -12.860 -16.180 12.954 1.00 0.00 C ATOM 47 C SER A 6 -13.654 -15.077 12.254 1.00 0.00 C ATOM 48 O SER A 6 -14.303 -14.264 12.910 1.00 0.00 O ATOM 49 CB SER A 6 -13.503 -17.544 12.694 1.00 0.00 C ATOM 50 OG SER A 6 -12.535 -18.587 12.630 1.00 0.00 O ATOM 0 H SER A 6 -11.823 -15.804 14.736 1.00 0.00 H new ATOM 0 HA SER A 6 -11.848 -16.203 12.549 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.220 -17.763 13.485 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.061 -17.509 11.758 1.00 0.00 H new ATOM 0 HG SER A 6 -12.985 -19.442 12.465 1.00 0.00 H new ATOM 55 N GLY A 7 -13.577 -15.083 10.931 1.00 0.00 N ATOM 56 CA GLY A 7 -14.281 -14.093 10.135 1.00 0.00 C ATOM 57 C GLY A 7 -14.087 -14.351 8.640 1.00 0.00 C ATOM 58 O GLY A 7 -14.144 -15.495 8.192 1.00 0.00 O ATOM 0 H GLY A 7 -13.037 -15.759 10.390 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.344 -14.116 10.377 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.919 -13.096 10.385 1.00 0.00 H new ATOM 62 N GLY A 8 -13.861 -13.270 7.908 1.00 0.00 N ATOM 63 CA GLY A 8 -13.658 -13.364 6.474 1.00 0.00 C ATOM 64 C GLY A 8 -12.269 -12.857 6.082 1.00 0.00 C ATOM 65 O GLY A 8 -11.365 -13.650 5.824 1.00 0.00 O ATOM 0 H GLY A 8 -13.814 -12.323 8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.775 -14.399 6.154 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.421 -12.782 5.956 1.00 0.00 H new ATOM 69 N PRO A 9 -12.141 -11.505 6.046 1.00 0.00 N ATOM 70 CA PRO A 9 -10.877 -10.882 5.689 1.00 0.00 C ATOM 71 C PRO A 9 -9.873 -10.982 6.839 1.00 0.00 C ATOM 72 O PRO A 9 -10.253 -11.244 7.980 1.00 0.00 O ATOM 73 CB PRO A 9 -11.232 -9.447 5.334 1.00 0.00 C ATOM 74 CG PRO A 9 -12.599 -9.191 5.948 1.00 0.00 C ATOM 75 CD PRO A 9 -13.190 -10.534 6.344 1.00 0.00 C ATOM 0 HA PRO A 9 -10.386 -11.376 4.850 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.490 -8.752 5.729 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.257 -9.307 4.253 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.511 -8.541 6.818 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.249 -8.683 5.235 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.458 -10.552 7.400 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.099 -10.748 5.781 1.00 0.00 H new ATOM 80 N LYS A 10 -8.610 -10.765 6.501 1.00 0.00 N ATOM 81 CA LYS A 10 -7.549 -10.828 7.491 1.00 0.00 C ATOM 82 C LYS A 10 -7.355 -9.444 8.112 1.00 0.00 C ATOM 83 O LYS A 10 -7.538 -8.427 7.444 1.00 0.00 O ATOM 84 CB LYS A 10 -6.276 -11.409 6.874 1.00 0.00 C ATOM 85 CG LYS A 10 -5.074 -11.203 7.800 1.00 0.00 C ATOM 86 CD LYS A 10 -5.060 -12.246 8.921 1.00 0.00 C ATOM 87 CE LYS A 10 -3.627 -12.641 9.283 1.00 0.00 C ATOM 88 NZ LYS A 10 -3.625 -13.842 10.149 1.00 0.00 N ATOM 0 H LYS A 10 -8.298 -10.545 5.555 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.822 -11.505 8.300 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.414 -12.473 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.084 -10.934 5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.151 -11.270 7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.109 -10.202 8.230 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.564 -11.847 9.801 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.617 -13.129 8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.057 -12.839 8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.134 -11.815 9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.645 -14.097 10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.151 -13.641 11.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.077 -14.633 9.647 1.00 0.00 H new ATOM 98 N THR A 11 -6.986 -9.447 9.384 1.00 0.00 N ATOM 99 CA THR A 11 -6.765 -8.205 10.104 1.00 0.00 C ATOM 100 C THR A 11 -5.478 -8.287 10.928 1.00 0.00 C ATOM 101 O THR A 11 -5.235 -9.282 11.609 1.00 0.00 O ATOM 102 CB THR A 11 -8.009 -7.918 10.947 1.00 0.00 C ATOM 103 OG1 THR A 11 -9.086 -8.017 10.020 1.00 0.00 O ATOM 104 CG2 THR A 11 -8.067 -6.468 11.432 1.00 0.00 C ATOM 0 H THR A 11 -6.834 -10.292 9.935 1.00 0.00 H new ATOM 0 HA THR A 11 -6.621 -7.371 9.417 1.00 0.00 H new ATOM 0 HB THR A 11 -8.028 -8.589 11.806 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.933 -7.846 10.483 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.969 -6.319 12.025 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.191 -6.254 12.044 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.082 -5.797 10.573 1.00 0.00 H new ATOM 112 N VAL A 12 -4.688 -7.227 10.840 1.00 0.00 N ATOM 113 CA VAL A 12 -3.432 -7.166 11.568 1.00 0.00 C ATOM 114 C VAL A 12 -3.246 -5.758 12.138 1.00 0.00 C ATOM 115 O VAL A 12 -3.621 -4.773 11.503 1.00 0.00 O ATOM 116 CB VAL A 12 -2.280 -7.602 10.662 1.00 0.00 C ATOM 117 CG1 VAL A 12 -2.112 -9.123 10.682 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.482 -7.092 9.234 1.00 0.00 C ATOM 0 H VAL A 12 -4.894 -6.403 10.275 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.444 -7.858 12.410 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.363 -7.158 11.050 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.286 -9.406 10.029 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.900 -9.452 11.699 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.030 -9.595 10.332 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.649 -7.416 8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.413 -7.493 8.833 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.529 -6.003 9.240 1.00 0.00 H new ATOM 128 N THR A 13 -2.665 -5.708 13.328 1.00 0.00 N ATOM 129 CA THR A 13 -2.424 -4.437 13.989 1.00 0.00 C ATOM 130 C THR A 13 -0.923 -4.217 14.191 1.00 0.00 C ATOM 131 O THR A 13 -0.178 -5.170 14.413 1.00 0.00 O ATOM 132 CB THR A 13 -3.222 -4.425 15.295 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.561 -4.687 14.886 1.00 0.00 O ATOM 134 CG2 THR A 13 -3.290 -3.034 15.927 1.00 0.00 C ATOM 0 H THR A 13 -2.354 -6.527 13.851 1.00 0.00 H new ATOM 0 HA THR A 13 -2.763 -3.602 13.376 1.00 0.00 H new ATOM 0 HB THR A 13 -2.772 -5.122 16.002 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.147 -4.699 15.672 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.867 -3.082 16.850 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.281 -2.685 16.147 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.770 -2.343 15.234 1.00 0.00 H new ATOM 142 N LEU A 14 -0.526 -2.956 14.109 1.00 0.00 N ATOM 143 CA LEU A 14 0.872 -2.599 14.279 1.00 0.00 C ATOM 144 C LEU A 14 0.984 -1.486 15.322 1.00 0.00 C ATOM 145 O LEU A 14 0.006 -0.798 15.610 1.00 0.00 O ATOM 146 CB LEU A 14 1.503 -2.247 12.932 1.00 0.00 C ATOM 147 CG LEU A 14 1.655 -3.402 11.940 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.361 -3.625 11.155 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.854 -3.178 11.016 1.00 0.00 C ATOM 0 H LEU A 14 -1.148 -2.168 13.927 1.00 0.00 H new ATOM 0 HA LEU A 14 1.440 -3.449 14.656 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.901 -1.469 12.463 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.489 -1.820 13.116 1.00 0.00 H new ATOM 0 HG LEU A 14 1.850 -4.313 12.505 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.497 -4.451 10.457 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.448 -3.863 11.846 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.111 -2.720 10.601 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.939 -4.014 10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.714 -2.253 10.456 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.764 -3.107 11.612 1.00 0.00 H new ATOM 160 N LYS A 15 2.188 -1.342 15.859 1.00 0.00 N ATOM 161 CA LYS A 15 2.441 -0.322 16.863 1.00 0.00 C ATOM 162 C LYS A 15 3.586 0.578 16.392 1.00 0.00 C ATOM 163 O LYS A 15 4.647 0.088 16.008 1.00 0.00 O ATOM 164 CB LYS A 15 2.688 -0.966 18.229 1.00 0.00 C ATOM 165 CG LYS A 15 1.432 -1.681 18.733 1.00 0.00 C ATOM 166 CD LYS A 15 0.970 -1.099 20.070 1.00 0.00 C ATOM 167 CE LYS A 15 0.248 -2.159 20.908 1.00 0.00 C ATOM 168 NZ LYS A 15 -0.701 -2.924 20.071 1.00 0.00 N ATOM 0 H LYS A 15 2.997 -1.914 15.618 1.00 0.00 H new ATOM 0 HA LYS A 15 1.565 0.315 16.989 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.511 -1.677 18.156 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.989 -0.202 18.946 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.635 -1.586 17.996 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.636 -2.746 18.847 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.829 -0.717 20.621 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.304 -0.254 19.893 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.976 -2.836 21.354 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.286 -1.680 21.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.427 -3.357 20.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.155 -2.284 19.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.189 -3.670 19.558 1.00 0.00 H new ATOM 178 N ARG A 16 3.332 1.877 16.437 1.00 0.00 N ATOM 179 CA ARG A 16 4.328 2.850 16.020 1.00 0.00 C ATOM 180 C ARG A 16 5.686 2.518 16.643 1.00 0.00 C ATOM 181 O ARG A 16 5.869 2.657 17.852 1.00 0.00 O ATOM 182 CB ARG A 16 3.919 4.266 16.430 1.00 0.00 C ATOM 183 CG ARG A 16 4.939 5.295 15.935 1.00 0.00 C ATOM 184 CD ARG A 16 4.242 6.478 15.262 1.00 0.00 C ATOM 185 NE ARG A 16 5.046 7.708 15.442 1.00 0.00 N ATOM 186 CZ ARG A 16 4.879 8.826 14.723 1.00 0.00 C ATOM 187 NH1 ARG A 16 3.936 8.878 13.772 1.00 0.00 N ATOM 188 NH2 ARG A 16 5.656 9.895 14.956 1.00 0.00 N ATOM 0 H ARG A 16 2.451 2.279 16.756 1.00 0.00 H new ATOM 0 HA ARG A 16 4.402 2.806 14.933 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.935 4.497 16.021 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.835 4.325 17.515 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.538 5.650 16.773 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.624 4.823 15.231 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.106 6.275 14.200 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.249 6.617 15.689 1.00 0.00 H new ATOM 0 HE ARG A 16 5.772 7.704 16.158 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.345 8.066 13.595 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.810 9.730 13.225 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.373 9.856 15.680 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.529 10.746 14.409 1.00 0.00 H new ATOM 199 N THR A 17 6.602 2.088 15.789 1.00 0.00 N ATOM 200 CA THR A 17 7.939 1.737 16.239 1.00 0.00 C ATOM 201 C THR A 17 8.938 1.849 15.086 1.00 0.00 C ATOM 202 O THR A 17 8.639 1.450 13.961 1.00 0.00 O ATOM 203 CB THR A 17 7.877 0.337 16.856 1.00 0.00 C ATOM 204 OG1 THR A 17 9.186 0.131 17.379 1.00 0.00 O ATOM 205 CG2 THR A 17 7.719 -0.759 15.802 1.00 0.00 C ATOM 0 H THR A 17 6.445 1.974 14.788 1.00 0.00 H new ATOM 0 HA THR A 17 8.294 2.430 17.002 1.00 0.00 H new ATOM 0 HB THR A 17 7.046 0.286 17.560 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.235 -0.753 17.799 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.680 -1.732 16.292 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.797 -0.597 15.244 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.567 -0.731 15.118 1.00 0.00 H new ATOM 213 N SER A 18 10.102 2.395 15.405 1.00 0.00 N ATOM 214 CA SER A 18 11.147 2.565 14.409 1.00 0.00 C ATOM 215 C SER A 18 10.591 3.302 13.189 1.00 0.00 C ATOM 216 O SER A 18 10.257 2.679 12.182 1.00 0.00 O ATOM 217 CB SER A 18 11.735 1.214 13.992 1.00 0.00 C ATOM 218 OG SER A 18 13.107 1.322 13.623 1.00 0.00 O ATOM 0 H SER A 18 10.345 2.726 16.339 1.00 0.00 H new ATOM 0 HA SER A 18 11.948 3.158 14.850 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.635 0.505 14.814 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.164 0.813 13.154 1.00 0.00 H new ATOM 0 HG SER A 18 13.447 0.440 13.365 1.00 0.00 H new ATOM 223 N GLN A 19 10.510 4.618 13.318 1.00 0.00 N ATOM 224 CA GLN A 19 10.001 5.446 12.239 1.00 0.00 C ATOM 225 C GLN A 19 8.772 4.792 11.603 1.00 0.00 C ATOM 226 O GLN A 19 8.899 3.990 10.679 1.00 0.00 O ATOM 227 CB GLN A 19 11.085 5.710 11.192 1.00 0.00 C ATOM 228 CG GLN A 19 12.019 6.835 11.642 1.00 0.00 C ATOM 229 CD GLN A 19 13.238 6.936 10.724 1.00 0.00 C ATOM 230 OE1 GLN A 19 13.894 5.956 10.408 1.00 0.00 O ATOM 231 NE2 GLN A 19 13.506 8.172 10.313 1.00 0.00 N ATOM 0 H GLN A 19 10.789 5.131 14.154 1.00 0.00 H new ATOM 0 HA GLN A 19 9.702 6.408 12.655 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.661 4.800 11.022 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.621 5.976 10.242 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.480 7.782 11.642 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.345 6.654 12.666 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.917 8.949 10.614 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.300 8.343 9.696 1.00 0.00 H new ATOM 238 N GLY A 20 7.610 5.161 12.122 1.00 0.00 N ATOM 239 CA GLY A 20 6.359 4.621 11.615 1.00 0.00 C ATOM 240 C GLY A 20 6.174 3.167 12.054 1.00 0.00 C ATOM 241 O GLY A 20 5.717 2.903 13.166 1.00 0.00 O ATOM 0 H GLY A 20 7.508 5.827 12.888 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.525 5.223 11.977 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.347 4.681 10.527 1.00 0.00 H new ATOM 245 N PHE A 21 6.535 2.262 11.156 1.00 0.00 N ATOM 246 CA PHE A 21 6.413 0.841 11.438 1.00 0.00 C ATOM 247 C PHE A 21 7.367 0.026 10.562 1.00 0.00 C ATOM 248 O PHE A 21 8.117 0.587 9.765 1.00 0.00 O ATOM 249 CB PHE A 21 4.973 0.442 11.111 1.00 0.00 C ATOM 250 CG PHE A 21 3.917 1.251 11.865 1.00 0.00 C ATOM 251 CD1 PHE A 21 3.484 2.440 11.365 1.00 0.00 C ATOM 252 CD2 PHE A 21 3.410 0.783 13.037 1.00 0.00 C ATOM 253 CE1 PHE A 21 2.505 3.191 12.066 1.00 0.00 C ATOM 254 CE2 PHE A 21 2.429 1.533 13.737 1.00 0.00 C ATOM 255 CZ PHE A 21 1.997 2.723 13.237 1.00 0.00 C ATOM 0 H PHE A 21 6.911 2.484 10.234 1.00 0.00 H new ATOM 0 HA PHE A 21 6.662 0.645 12.481 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.809 0.559 10.040 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.839 -0.615 11.341 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.886 2.812 10.434 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.754 -0.160 13.435 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.163 4.135 11.669 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.025 1.159 14.666 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.252 3.295 13.770 1.00 0.00 H new ATOM 264 N GLY A 22 7.306 -1.286 10.740 1.00 0.00 N ATOM 265 CA GLY A 22 8.156 -2.184 9.977 1.00 0.00 C ATOM 266 C GLY A 22 7.562 -2.457 8.593 1.00 0.00 C ATOM 267 O GLY A 22 6.784 -1.654 8.078 1.00 0.00 O ATOM 0 H GLY A 22 6.682 -1.748 11.401 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.149 -1.748 9.871 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.276 -3.123 10.517 1.00 0.00 H new ATOM 271 N PHE A 23 7.951 -3.591 8.029 1.00 0.00 N ATOM 272 CA PHE A 23 7.467 -3.979 6.717 1.00 0.00 C ATOM 273 C PHE A 23 7.544 -2.809 5.734 1.00 0.00 C ATOM 274 O PHE A 23 7.945 -1.707 6.107 1.00 0.00 O ATOM 275 CB PHE A 23 6.003 -4.393 6.883 1.00 0.00 C ATOM 276 CG PHE A 23 5.036 -3.216 7.027 1.00 0.00 C ATOM 277 CD1 PHE A 23 4.609 -2.547 5.922 1.00 0.00 C ATOM 278 CD2 PHE A 23 4.604 -2.838 8.259 1.00 0.00 C ATOM 279 CE1 PHE A 23 3.712 -1.455 6.056 1.00 0.00 C ATOM 280 CE2 PHE A 23 3.707 -1.747 8.394 1.00 0.00 C ATOM 281 CZ PHE A 23 3.279 -1.077 7.289 1.00 0.00 C ATOM 0 H PHE A 23 8.597 -4.254 8.458 1.00 0.00 H new ATOM 0 HA PHE A 23 8.078 -4.791 6.322 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.705 -4.991 6.022 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.914 -5.032 7.761 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.952 -2.847 4.943 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.944 -3.369 9.136 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.373 -0.924 5.179 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.364 -1.448 9.373 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.596 -0.246 7.391 1.00 0.00 H new ATOM 290 N THR A 24 7.153 -3.085 4.499 1.00 0.00 N ATOM 291 CA THR A 24 7.174 -2.068 3.462 1.00 0.00 C ATOM 292 C THR A 24 6.222 -2.447 2.325 1.00 0.00 C ATOM 293 O THR A 24 5.825 -3.605 2.202 1.00 0.00 O ATOM 294 CB THR A 24 8.623 -1.887 3.006 1.00 0.00 C ATOM 295 OG1 THR A 24 8.517 -1.118 1.810 1.00 0.00 O ATOM 296 CG2 THR A 24 9.262 -3.200 2.549 1.00 0.00 C ATOM 0 H THR A 24 6.820 -3.999 4.193 1.00 0.00 H new ATOM 0 HA THR A 24 6.815 -1.110 3.840 1.00 0.00 H new ATOM 0 HB THR A 24 9.209 -1.463 3.821 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.412 -0.953 1.447 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.290 -3.015 2.236 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.257 -3.913 3.373 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.696 -3.608 1.712 1.00 0.00 H new ATOM 304 N LEU A 25 5.883 -1.448 1.522 1.00 0.00 N ATOM 305 CA LEU A 25 4.986 -1.662 0.400 1.00 0.00 C ATOM 306 C LEU A 25 5.759 -1.480 -0.908 1.00 0.00 C ATOM 307 O LEU A 25 6.897 -1.013 -0.900 1.00 0.00 O ATOM 308 CB LEU A 25 3.757 -0.761 0.518 1.00 0.00 C ATOM 309 CG LEU A 25 2.957 -0.881 1.816 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.827 -2.345 2.245 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.566 -0.014 2.919 1.00 0.00 C ATOM 0 H LEU A 25 6.214 -0.489 1.627 1.00 0.00 H new ATOM 0 HA LEU A 25 4.606 -2.683 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.079 0.275 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.091 -0.978 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 25 1.950 -0.507 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.254 -2.403 3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.315 -2.909 1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.819 -2.767 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.977 -0.118 3.830 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.590 -0.334 3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.565 1.029 2.604 1.00 0.00 H new ATOM 322 N ARG A 26 5.110 -1.858 -1.999 1.00 0.00 N ATOM 323 CA ARG A 26 5.723 -1.743 -3.312 1.00 0.00 C ATOM 324 C ARG A 26 4.645 -1.641 -4.393 1.00 0.00 C ATOM 325 O ARG A 26 3.561 -2.203 -4.249 1.00 0.00 O ATOM 326 CB ARG A 26 6.621 -2.946 -3.608 1.00 0.00 C ATOM 327 CG ARG A 26 8.094 -2.534 -3.645 1.00 0.00 C ATOM 328 CD ARG A 26 8.601 -2.442 -5.086 1.00 0.00 C ATOM 329 NE ARG A 26 10.029 -2.048 -5.094 1.00 0.00 N ATOM 330 CZ ARG A 26 10.753 -1.878 -6.209 1.00 0.00 C ATOM 331 NH1 ARG A 26 10.191 -2.066 -7.410 1.00 0.00 N ATOM 332 NH2 ARG A 26 12.041 -1.520 -6.121 1.00 0.00 N ATOM 0 H ARG A 26 4.166 -2.244 -2.001 1.00 0.00 H new ATOM 0 HA ARG A 26 6.333 -0.840 -3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.473 -3.711 -2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.339 -3.388 -4.563 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.219 -1.571 -3.150 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.692 -3.257 -3.091 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.477 -3.402 -5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.011 -1.714 -5.643 1.00 0.00 H new ATOM 0 HE ARG A 26 10.489 -1.897 -4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.211 -2.339 -7.477 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.743 -1.936 -8.258 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.469 -1.377 -5.206 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.593 -1.390 -6.969 1.00 0.00 H new ATOM 343 N HIS A 27 4.981 -0.919 -5.453 1.00 0.00 N ATOM 344 CA HIS A 27 4.056 -0.735 -6.557 1.00 0.00 C ATOM 345 C HIS A 27 4.746 0.037 -7.683 1.00 0.00 C ATOM 346 O HIS A 27 4.968 1.242 -7.568 1.00 0.00 O ATOM 347 CB HIS A 27 2.766 -0.064 -6.081 1.00 0.00 C ATOM 348 CG HIS A 27 2.863 1.438 -5.965 1.00 0.00 C ATOM 349 ND1 HIS A 27 1.915 2.295 -6.497 1.00 0.00 N ATOM 350 CD2 HIS A 27 3.806 2.227 -5.373 1.00 0.00 C ATOM 351 CE1 HIS A 27 2.280 3.541 -6.231 1.00 0.00 C ATOM 352 NE2 HIS A 27 3.451 3.497 -5.535 1.00 0.00 N ATOM 0 H HIS A 27 5.882 -0.455 -5.570 1.00 0.00 H new ATOM 0 HA HIS A 27 3.764 -1.707 -6.956 1.00 0.00 H new ATOM 0 HB2 HIS A 27 1.962 -0.314 -6.773 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.491 -0.476 -5.110 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.690 1.878 -4.860 1.00 0.00 H new ATOM 0 HE1 HIS A 27 1.744 4.434 -6.516 1.00 0.00 H new ATOM 0 HE2 HIS A 27 3.970 4.306 -5.194 1.00 0.00 H new ATOM 359 N PHE A 28 5.068 -0.687 -8.745 1.00 0.00 N ATOM 360 CA PHE A 28 5.730 -0.084 -9.888 1.00 0.00 C ATOM 361 C PHE A 28 4.711 0.358 -10.941 1.00 0.00 C ATOM 362 O PHE A 28 4.870 1.406 -11.563 1.00 0.00 O ATOM 363 CB PHE A 28 6.639 -1.154 -10.494 1.00 0.00 C ATOM 364 CG PHE A 28 7.837 -0.592 -11.261 1.00 0.00 C ATOM 365 CD1 PHE A 28 7.641 0.280 -12.287 1.00 0.00 C ATOM 366 CD2 PHE A 28 9.100 -0.963 -10.918 1.00 0.00 C ATOM 367 CE1 PHE A 28 8.754 0.802 -12.998 1.00 0.00 C ATOM 368 CE2 PHE A 28 10.212 -0.442 -11.629 1.00 0.00 C ATOM 369 CZ PHE A 28 10.015 0.431 -12.654 1.00 0.00 C ATOM 0 H PHE A 28 4.882 -1.686 -8.837 1.00 0.00 H new ATOM 0 HA PHE A 28 6.291 0.795 -9.572 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.003 -1.801 -9.696 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.050 -1.778 -11.167 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.639 0.575 -12.561 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.257 -1.655 -10.104 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.598 1.494 -13.812 1.00 0.00 H new ATOM 0 HE2 PHE A 28 11.214 -0.738 -11.357 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.861 0.829 -13.194 1.00 0.00 H new ATOM 378 N ILE A 29 3.685 -0.464 -11.106 1.00 0.00 N ATOM 379 CA ILE A 29 2.640 -0.171 -12.073 1.00 0.00 C ATOM 380 C ILE A 29 2.354 1.332 -12.069 1.00 0.00 C ATOM 381 O ILE A 29 1.871 1.873 -11.075 1.00 0.00 O ATOM 382 CB ILE A 29 1.404 -1.033 -11.803 1.00 0.00 C ATOM 383 CG1 ILE A 29 1.737 -2.521 -11.913 1.00 0.00 C ATOM 384 CG2 ILE A 29 0.246 -0.635 -12.720 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.470 -3.376 -11.828 1.00 0.00 C ATOM 0 H ILE A 29 3.555 -1.332 -10.587 1.00 0.00 H new ATOM 0 HA ILE A 29 2.968 -0.431 -13.079 1.00 0.00 H new ATOM 0 HB ILE A 29 1.080 -0.852 -10.778 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.247 -2.714 -12.857 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.424 -2.803 -11.115 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.619 -1.263 -12.507 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.013 0.410 -12.547 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.543 -0.768 -13.760 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.736 -4.430 -11.909 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.025 -3.199 -10.873 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.205 -3.109 -12.641 1.00 0.00 H new ATOM 396 N VAL A 30 2.664 1.963 -13.191 1.00 0.00 N ATOM 397 CA VAL A 30 2.447 3.393 -13.330 1.00 0.00 C ATOM 398 C VAL A 30 1.087 3.637 -13.985 1.00 0.00 C ATOM 399 O VAL A 30 0.668 2.876 -14.858 1.00 0.00 O ATOM 400 CB VAL A 30 3.606 4.026 -14.104 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.218 5.406 -14.640 1.00 0.00 C ATOM 402 CG2 VAL A 30 4.864 4.108 -13.237 1.00 0.00 C ATOM 0 H VAL A 30 3.064 1.510 -14.013 1.00 0.00 H new ATOM 0 HA VAL A 30 2.427 3.873 -12.351 1.00 0.00 H new ATOM 0 HB VAL A 30 3.829 3.386 -14.957 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.059 5.834 -15.186 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.363 5.309 -15.309 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.956 6.059 -13.808 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.672 4.561 -13.811 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.659 4.716 -12.356 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.158 3.105 -12.926 1.00 0.00 H new ATOM 412 N TYR A 31 0.433 4.700 -13.541 1.00 0.00 N ATOM 413 CA TYR A 31 -0.872 5.054 -14.073 1.00 0.00 C ATOM 414 C TYR A 31 -1.413 6.320 -13.405 1.00 0.00 C ATOM 415 O TYR A 31 -2.455 6.286 -12.755 1.00 0.00 O ATOM 416 CB TYR A 31 -1.796 3.880 -13.738 1.00 0.00 C ATOM 417 CG TYR A 31 -1.512 3.232 -12.381 1.00 0.00 C ATOM 418 CD1 TYR A 31 -0.928 3.971 -11.373 1.00 0.00 C ATOM 419 CD2 TYR A 31 -1.839 1.910 -12.166 1.00 0.00 C ATOM 420 CE1 TYR A 31 -0.660 3.361 -10.096 1.00 0.00 C ATOM 421 CE2 TYR A 31 -1.571 1.298 -10.891 1.00 0.00 C ATOM 422 CZ TYR A 31 -0.995 2.055 -9.917 1.00 0.00 C ATOM 423 OH TYR A 31 -0.743 1.479 -8.712 1.00 0.00 O ATOM 0 H TYR A 31 0.783 5.328 -12.818 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.810 5.246 -15.144 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.829 4.228 -13.754 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.702 3.123 -14.517 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.672 5.007 -11.541 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.297 1.333 -12.956 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.203 3.928 -9.298 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.821 0.263 -10.711 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.795 2.158 -8.008 1.00 0.00 H new ATOM 432 N PRO A 32 -0.657 7.435 -13.594 1.00 0.00 N ATOM 433 CA PRO A 32 -1.050 8.711 -13.018 1.00 0.00 C ATOM 434 C PRO A 32 -2.216 9.326 -13.792 1.00 0.00 C ATOM 435 O PRO A 32 -2.421 9.015 -14.964 1.00 0.00 O ATOM 436 CB PRO A 32 0.208 9.564 -13.060 1.00 0.00 C ATOM 437 CG PRO A 32 1.126 8.904 -14.074 1.00 0.00 C ATOM 438 CD PRO A 32 0.584 7.512 -14.358 1.00 0.00 C ATOM 0 HA PRO A 32 -1.418 8.617 -11.996 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.024 10.588 -13.352 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.680 9.612 -12.079 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.167 9.492 -14.991 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.143 8.846 -13.687 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.403 7.367 -15.423 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.289 6.741 -14.047 1.00 0.00 H new ATOM 443 N PRO A 33 -2.969 10.213 -13.088 1.00 0.00 N ATOM 444 CA PRO A 33 -4.109 10.876 -13.696 1.00 0.00 C ATOM 445 C PRO A 33 -3.656 11.974 -14.660 1.00 0.00 C ATOM 446 O PRO A 33 -4.481 12.614 -15.310 1.00 0.00 O ATOM 447 CB PRO A 33 -4.924 11.410 -12.528 1.00 0.00 C ATOM 448 CG PRO A 33 -3.980 11.433 -11.338 1.00 0.00 C ATOM 449 CD PRO A 33 -2.755 10.607 -11.698 1.00 0.00 C ATOM 0 HA PRO A 33 -4.709 10.202 -14.308 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.307 12.408 -12.742 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.787 10.774 -12.330 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.693 12.457 -11.098 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.470 11.024 -10.454 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.839 11.188 -11.588 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.660 9.736 -11.050 1.00 0.00 H new ATOM 454 N GLU A 34 -2.346 12.158 -14.722 1.00 0.00 N ATOM 455 CA GLU A 34 -1.772 13.169 -15.594 1.00 0.00 C ATOM 456 C GLU A 34 -2.247 14.562 -15.178 1.00 0.00 C ATOM 457 O GLU A 34 -3.367 14.723 -14.696 1.00 0.00 O ATOM 458 CB GLU A 34 -2.117 12.887 -17.058 1.00 0.00 C ATOM 459 CG GLU A 34 -2.483 11.416 -17.263 1.00 0.00 C ATOM 460 CD GLU A 34 -2.303 11.003 -18.725 1.00 0.00 C ATOM 461 OE1 GLU A 34 -1.131 10.864 -19.135 1.00 0.00 O ATOM 462 OE2 GLU A 34 -3.342 10.838 -19.399 1.00 0.00 O ATOM 0 H GLU A 34 -1.665 11.624 -14.182 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.687 13.133 -15.495 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.950 13.519 -17.367 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.268 13.146 -17.691 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.858 10.790 -16.625 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.516 11.249 -16.959 1.00 0.00 H new ATOM 467 N SER A 35 -1.371 15.536 -15.379 1.00 0.00 N ATOM 468 CA SER A 35 -1.686 16.910 -15.030 1.00 0.00 C ATOM 469 C SER A 35 -2.120 16.993 -13.566 1.00 0.00 C ATOM 470 O SER A 35 -2.816 17.928 -13.173 1.00 0.00 O ATOM 471 CB SER A 35 -2.780 17.473 -15.941 1.00 0.00 C ATOM 472 OG SER A 35 -2.959 18.874 -15.758 1.00 0.00 O ATOM 0 H SER A 35 -0.443 15.400 -15.779 1.00 0.00 H new ATOM 0 HA SER A 35 -0.788 17.512 -15.170 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.524 17.273 -16.981 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.720 16.958 -15.740 1.00 0.00 H new ATOM 0 HG SER A 35 -2.979 19.079 -14.800 1.00 0.00 H new ATOM 477 N ALA A 36 -1.693 16.001 -12.798 1.00 0.00 N ATOM 478 CA ALA A 36 -2.030 15.948 -11.385 1.00 0.00 C ATOM 479 C ALA A 36 -0.789 15.547 -10.585 1.00 0.00 C ATOM 480 O ALA A 36 0.232 15.175 -11.161 1.00 0.00 O ATOM 481 CB ALA A 36 -3.198 14.984 -11.174 1.00 0.00 C ATOM 0 H ALA A 36 -1.116 15.227 -13.128 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.349 16.927 -11.029 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.450 14.945 -10.114 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.063 15.330 -11.740 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.915 13.989 -11.517 1.00 0.00 H new ATOM 487 N ILE A 37 -0.920 15.634 -9.269 1.00 0.00 N ATOM 488 CA ILE A 37 0.177 15.284 -8.383 1.00 0.00 C ATOM 489 C ILE A 37 1.363 16.212 -8.656 1.00 0.00 C ATOM 490 O ILE A 37 1.871 16.264 -9.774 1.00 0.00 O ATOM 491 CB ILE A 37 0.518 13.798 -8.514 1.00 0.00 C ATOM 492 CG1 ILE A 37 -0.602 12.926 -7.942 1.00 0.00 C ATOM 493 CG2 ILE A 37 1.871 13.487 -7.870 1.00 0.00 C ATOM 494 CD1 ILE A 37 -0.469 11.479 -8.418 1.00 0.00 C ATOM 0 H ILE A 37 -1.769 15.942 -8.795 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.112 15.431 -7.342 1.00 0.00 H new ATOM 0 HB ILE A 37 0.603 13.559 -9.574 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.572 12.958 -6.853 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.570 13.325 -8.246 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.089 12.424 -7.977 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.650 14.069 -8.362 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.838 13.746 -6.812 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.277 10.882 -7.997 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.524 11.447 -9.506 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.489 11.075 -8.091 1.00 0.00 H new ATOM 505 N GLN A 38 1.768 16.924 -7.613 1.00 0.00 N ATOM 506 CA GLN A 38 2.884 17.847 -7.726 1.00 0.00 C ATOM 507 C GLN A 38 3.210 18.455 -6.361 1.00 0.00 C ATOM 508 O GLN A 38 3.349 19.670 -6.236 1.00 0.00 O ATOM 509 CB GLN A 38 2.590 18.939 -8.756 1.00 0.00 C ATOM 510 CG GLN A 38 1.386 19.782 -8.333 1.00 0.00 C ATOM 511 CD GLN A 38 1.819 21.191 -7.922 1.00 0.00 C ATOM 512 OE1 GLN A 38 2.727 21.777 -8.486 1.00 0.00 O ATOM 513 NE2 GLN A 38 1.118 21.698 -6.912 1.00 0.00 N ATOM 0 H GLN A 38 1.343 16.880 -6.687 1.00 0.00 H new ATOM 0 HA GLN A 38 3.756 17.292 -8.072 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.464 19.580 -8.872 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.397 18.485 -9.728 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.673 19.842 -9.155 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.873 19.298 -7.502 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.370 21.151 -6.485 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.328 22.633 -6.564 1.00 0.00 H new ATOM 520 N PHE A 39 3.322 17.581 -5.371 1.00 0.00 N ATOM 521 CA PHE A 39 3.631 18.017 -4.019 1.00 0.00 C ATOM 522 C PHE A 39 4.045 16.833 -3.143 1.00 0.00 C ATOM 523 O PHE A 39 4.112 15.699 -3.616 1.00 0.00 O ATOM 524 CB PHE A 39 2.353 18.634 -3.448 1.00 0.00 C ATOM 525 CG PHE A 39 1.449 17.637 -2.722 1.00 0.00 C ATOM 526 CD1 PHE A 39 0.884 16.608 -3.409 1.00 0.00 C ATOM 527 CD2 PHE A 39 1.210 17.779 -1.391 1.00 0.00 C ATOM 528 CE1 PHE A 39 0.044 15.681 -2.735 1.00 0.00 C ATOM 529 CE2 PHE A 39 0.371 16.852 -0.718 1.00 0.00 C ATOM 530 CZ PHE A 39 -0.195 15.823 -1.404 1.00 0.00 C ATOM 0 H PHE A 39 3.204 16.573 -5.478 1.00 0.00 H new ATOM 0 HA PHE A 39 4.456 18.729 -4.036 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.625 19.432 -2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.790 19.094 -4.260 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.074 16.496 -4.466 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.658 18.597 -0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.405 14.864 -3.280 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.182 16.964 0.339 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.834 15.119 -0.892 1.00 0.00 H new ATOM 539 N SER A 40 4.315 17.137 -1.882 1.00 0.00 N ATOM 540 CA SER A 40 4.721 16.113 -0.935 1.00 0.00 C ATOM 541 C SER A 40 5.085 16.754 0.405 1.00 0.00 C ATOM 542 O SER A 40 6.108 17.427 0.520 1.00 0.00 O ATOM 543 CB SER A 40 5.904 15.304 -1.474 1.00 0.00 C ATOM 544 OG SER A 40 5.731 13.904 -1.267 1.00 0.00 O ATOM 0 H SER A 40 4.260 18.079 -1.494 1.00 0.00 H new ATOM 0 HA SER A 40 3.884 15.431 -0.789 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.023 15.501 -2.539 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.821 15.632 -0.985 1.00 0.00 H new ATOM 0 HG SER A 40 6.505 13.422 -1.626 1.00 0.00 H new ATOM 549 N TYR A 41 4.226 16.522 1.387 1.00 0.00 N ATOM 550 CA TYR A 41 4.443 17.069 2.716 1.00 0.00 C ATOM 551 C TYR A 41 3.481 16.445 3.730 1.00 0.00 C ATOM 552 O TYR A 41 2.529 15.764 3.350 1.00 0.00 O ATOM 553 CB TYR A 41 4.152 18.566 2.609 1.00 0.00 C ATOM 554 CG TYR A 41 5.405 19.444 2.582 1.00 0.00 C ATOM 555 CD1 TYR A 41 6.198 19.548 3.708 1.00 0.00 C ATOM 556 CD2 TYR A 41 5.742 20.131 1.434 1.00 0.00 C ATOM 557 CE1 TYR A 41 7.377 20.375 3.683 1.00 0.00 C ATOM 558 CE2 TYR A 41 6.923 20.957 1.409 1.00 0.00 C ATOM 559 CZ TYR A 41 7.681 21.037 2.536 1.00 0.00 C ATOM 560 OH TYR A 41 8.795 21.818 2.511 1.00 0.00 O ATOM 0 H TYR A 41 3.379 15.963 1.289 1.00 0.00 H new ATOM 0 HA TYR A 41 5.459 16.864 3.054 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.573 18.749 1.704 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.529 18.866 3.452 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.934 19.010 4.606 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.121 20.050 0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.005 20.467 4.557 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.200 21.499 0.517 1.00 0.00 H new ATOM 0 HH TYR A 41 8.887 22.229 1.626 1.00 0.00 H new ATOM 569 N LYS A 42 3.762 16.700 4.999 1.00 0.00 N ATOM 570 CA LYS A 42 2.934 16.172 6.069 1.00 0.00 C ATOM 571 C LYS A 42 1.673 17.028 6.203 1.00 0.00 C ATOM 572 O LYS A 42 1.757 18.224 6.485 1.00 0.00 O ATOM 573 CB LYS A 42 3.741 16.059 7.364 1.00 0.00 C ATOM 574 CG LYS A 42 3.460 14.731 8.072 1.00 0.00 C ATOM 575 CD LYS A 42 2.772 14.962 9.419 1.00 0.00 C ATOM 576 CE LYS A 42 3.622 14.418 10.569 1.00 0.00 C ATOM 577 NZ LYS A 42 2.885 14.515 11.849 1.00 0.00 N ATOM 0 H LYS A 42 4.552 17.265 5.310 1.00 0.00 H new ATOM 0 HA LYS A 42 2.608 15.159 5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.805 16.138 7.142 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.491 16.888 8.026 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.830 14.105 7.441 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.395 14.191 8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.597 16.028 9.564 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.797 14.476 9.421 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.887 13.379 10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.555 14.978 10.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.476 14.142 12.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.653 15.510 12.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.007 13.961 11.787 1.00 0.00 H new ATOM 587 N ASP A 43 0.534 16.386 5.993 1.00 0.00 N ATOM 588 CA ASP A 43 -0.742 17.074 6.086 1.00 0.00 C ATOM 589 C ASP A 43 -1.492 16.583 7.325 1.00 0.00 C ATOM 590 O ASP A 43 -1.644 15.379 7.529 1.00 0.00 O ATOM 591 CB ASP A 43 -1.614 16.785 4.862 1.00 0.00 C ATOM 592 CG ASP A 43 -1.645 15.320 4.421 1.00 0.00 C ATOM 593 OD1 ASP A 43 -1.507 14.456 5.313 1.00 0.00 O ATOM 594 OD2 ASP A 43 -1.805 15.098 3.201 1.00 0.00 O ATOM 0 H ASP A 43 0.468 15.396 5.758 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.544 18.144 6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.633 17.106 5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.258 17.392 4.030 1.00 0.00 H new ATOM 598 N GLU A 44 -1.940 17.541 8.125 1.00 0.00 N ATOM 599 CA GLU A 44 -2.670 17.222 9.339 1.00 0.00 C ATOM 600 C GLU A 44 -3.984 16.517 8.999 1.00 0.00 C ATOM 601 O GLU A 44 -4.204 16.125 7.854 1.00 0.00 O ATOM 602 CB GLU A 44 -2.923 18.480 10.174 1.00 0.00 C ATOM 603 CG GLU A 44 -2.021 18.508 11.410 1.00 0.00 C ATOM 604 CD GLU A 44 -1.600 19.940 11.748 1.00 0.00 C ATOM 605 OE1 GLU A 44 -2.474 20.687 12.240 1.00 0.00 O ATOM 606 OE2 GLU A 44 -0.415 20.255 11.509 1.00 0.00 O ATOM 0 H GLU A 44 -1.811 18.538 7.955 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.061 16.545 9.938 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.741 19.367 9.567 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.968 18.513 10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.547 18.070 12.258 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.136 17.897 11.233 1.00 0.00 H new ATOM 611 N GLU A 45 -4.824 16.377 10.014 1.00 0.00 N ATOM 612 CA GLU A 45 -6.110 15.725 9.837 1.00 0.00 C ATOM 613 C GLU A 45 -7.247 16.723 10.070 1.00 0.00 C ATOM 614 O GLU A 45 -7.630 16.978 11.210 1.00 0.00 O ATOM 615 CB GLU A 45 -6.245 14.515 10.765 1.00 0.00 C ATOM 616 CG GLU A 45 -6.136 14.935 12.232 1.00 0.00 C ATOM 617 CD GLU A 45 -7.420 14.599 12.994 1.00 0.00 C ATOM 618 OE1 GLU A 45 -7.770 13.399 13.016 1.00 0.00 O ATOM 619 OE2 GLU A 45 -8.021 15.550 13.538 1.00 0.00 O ATOM 0 H GLU A 45 -4.639 16.704 10.962 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.173 15.363 8.811 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.204 14.026 10.593 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.469 13.786 10.533 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.290 14.429 12.697 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.941 16.006 12.294 1.00 0.00 H new ATOM 624 N ASN A 46 -7.755 17.260 8.970 1.00 0.00 N ATOM 625 CA ASN A 46 -8.840 18.224 9.039 1.00 0.00 C ATOM 626 C ASN A 46 -9.391 18.467 7.634 1.00 0.00 C ATOM 627 O ASN A 46 -8.670 18.325 6.646 1.00 0.00 O ATOM 628 CB ASN A 46 -8.352 19.563 9.594 1.00 0.00 C ATOM 629 CG ASN A 46 -7.354 20.221 8.640 1.00 0.00 C ATOM 630 OD1 ASN A 46 -7.478 21.377 8.269 1.00 0.00 O ATOM 631 ND2 ASN A 46 -6.357 19.424 8.264 1.00 0.00 N ATOM 0 H ASN A 46 -7.435 17.045 8.026 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.609 17.820 9.697 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.202 20.227 9.751 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.884 19.409 10.566 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.638 19.771 7.629 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.311 18.466 8.611 1.00 0.00 H new ATOM 637 N GLY A 47 -10.664 18.830 7.586 1.00 0.00 N ATOM 638 CA GLY A 47 -11.320 19.095 6.317 1.00 0.00 C ATOM 639 C GLY A 47 -11.801 17.796 5.667 1.00 0.00 C ATOM 640 O GLY A 47 -11.098 16.787 5.694 1.00 0.00 O ATOM 0 H GLY A 47 -11.259 18.947 8.406 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.167 19.763 6.474 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.630 19.607 5.647 1.00 0.00 H new ATOM 644 N ASN A 48 -12.995 17.862 5.095 1.00 0.00 N ATOM 645 CA ASN A 48 -13.577 16.705 4.441 1.00 0.00 C ATOM 646 C ASN A 48 -14.886 17.113 3.761 1.00 0.00 C ATOM 647 O ASN A 48 -15.833 17.525 4.429 1.00 0.00 O ATOM 648 CB ASN A 48 -13.892 15.600 5.451 1.00 0.00 C ATOM 649 CG ASN A 48 -14.458 14.362 4.751 1.00 0.00 C ATOM 650 OD1 ASN A 48 -13.961 13.913 3.731 1.00 0.00 O ATOM 651 ND2 ASN A 48 -15.521 13.840 5.354 1.00 0.00 N ATOM 0 H ASN A 48 -13.575 18.701 5.072 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.856 16.332 3.713 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -12.987 15.332 5.996 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.609 15.967 6.185 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.973 13.012 4.965 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.885 14.267 6.206 1.00 0.00 H new ATOM 657 N ARG A 49 -14.898 16.984 2.443 1.00 0.00 N ATOM 658 CA ARG A 49 -16.074 17.334 1.667 1.00 0.00 C ATOM 659 C ARG A 49 -16.327 16.285 0.583 1.00 0.00 C ATOM 660 O ARG A 49 -17.404 15.692 0.526 1.00 0.00 O ATOM 661 CB ARG A 49 -15.913 18.707 1.011 1.00 0.00 C ATOM 662 CG ARG A 49 -16.905 19.714 1.596 1.00 0.00 C ATOM 663 CD ARG A 49 -16.429 21.150 1.363 1.00 0.00 C ATOM 664 NE ARG A 49 -16.555 21.934 2.612 1.00 0.00 N ATOM 665 CZ ARG A 49 -15.923 21.634 3.754 1.00 0.00 C ATOM 666 NH1 ARG A 49 -15.116 20.565 3.813 1.00 0.00 N ATOM 667 NH2 ARG A 49 -16.097 22.401 4.838 1.00 0.00 N ATOM 0 H ARG A 49 -14.111 16.641 1.892 1.00 0.00 H new ATOM 0 HA ARG A 49 -16.923 17.368 2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.895 19.067 1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -16.069 18.621 -0.064 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -17.884 19.573 1.139 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -17.023 19.535 2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.392 21.148 1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -17.019 21.613 0.572 1.00 0.00 H new ATOM 0 HE ARG A 49 -17.161 22.754 2.602 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.983 19.980 2.988 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.635 20.337 4.683 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.711 23.214 4.794 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.615 22.172 5.707 1.00 0.00 H new ATOM 678 N GLY A 50 -15.318 16.086 -0.251 1.00 0.00 N ATOM 679 CA GLY A 50 -15.416 15.119 -1.330 1.00 0.00 C ATOM 680 C GLY A 50 -14.211 15.215 -2.265 1.00 0.00 C ATOM 681 O GLY A 50 -13.185 15.791 -1.905 1.00 0.00 O ATOM 0 H GLY A 50 -14.427 16.579 -0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.480 14.113 -0.916 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -16.333 15.290 -1.894 1.00 0.00 H new ATOM 685 N GLY A 51 -14.372 14.641 -3.449 1.00 0.00 N ATOM 686 CA GLY A 51 -13.308 14.655 -4.439 1.00 0.00 C ATOM 687 C GLY A 51 -13.876 14.532 -5.854 1.00 0.00 C ATOM 688 O GLY A 51 -15.064 14.270 -6.031 1.00 0.00 O ATOM 0 H GLY A 51 -15.223 14.163 -3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -12.737 15.579 -4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.617 13.834 -4.248 1.00 0.00 H new ATOM 692 N LYS A 52 -12.998 14.730 -6.828 1.00 0.00 N ATOM 693 CA LYS A 52 -13.398 14.645 -8.223 1.00 0.00 C ATOM 694 C LYS A 52 -12.681 13.464 -8.883 1.00 0.00 C ATOM 695 O LYS A 52 -11.728 12.922 -8.325 1.00 0.00 O ATOM 696 CB LYS A 52 -13.161 15.981 -8.930 1.00 0.00 C ATOM 697 CG LYS A 52 -14.435 16.470 -9.620 1.00 0.00 C ATOM 698 CD LYS A 52 -14.414 17.989 -9.800 1.00 0.00 C ATOM 699 CE LYS A 52 -15.834 18.547 -9.918 1.00 0.00 C ATOM 700 NZ LYS A 52 -15.881 19.639 -10.914 1.00 0.00 N ATOM 0 H LYS A 52 -12.013 14.949 -6.679 1.00 0.00 H new ATOM 0 HA LYS A 52 -14.468 14.454 -8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.827 16.725 -8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.364 15.871 -9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.535 15.987 -10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.305 16.182 -9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.907 18.452 -8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.843 18.245 -10.693 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.520 17.752 -10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.167 18.917 -8.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -16.852 20.006 -10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.241 20.404 -10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.583 19.276 -11.842 1.00 0.00 H new ATOM 710 N GLN A 53 -13.167 13.102 -10.061 1.00 0.00 N ATOM 711 CA GLN A 53 -12.585 11.997 -10.802 1.00 0.00 C ATOM 712 C GLN A 53 -12.833 10.677 -10.069 1.00 0.00 C ATOM 713 O GLN A 53 -13.266 10.674 -8.917 1.00 0.00 O ATOM 714 CB GLN A 53 -11.089 12.221 -11.037 1.00 0.00 C ATOM 715 CG GLN A 53 -10.826 12.722 -12.458 1.00 0.00 C ATOM 716 CD GLN A 53 -10.920 14.247 -12.529 1.00 0.00 C ATOM 717 OE1 GLN A 53 -9.929 14.958 -12.486 1.00 0.00 O ATOM 718 NE2 GLN A 53 -12.162 14.709 -12.638 1.00 0.00 N ATOM 0 H GLN A 53 -13.957 13.555 -10.520 1.00 0.00 H new ATOM 0 HA GLN A 53 -13.069 11.945 -11.777 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.708 12.945 -10.316 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.548 11.290 -10.870 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.837 12.400 -12.784 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.548 12.278 -13.143 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.947 14.059 -12.669 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.330 15.714 -12.691 1.00 0.00 H new ATOM 725 N ARG A 54 -12.549 9.586 -10.767 1.00 0.00 N ATOM 726 CA ARG A 54 -12.736 8.263 -10.197 1.00 0.00 C ATOM 727 C ARG A 54 -12.181 7.195 -11.142 1.00 0.00 C ATOM 728 O ARG A 54 -11.542 6.243 -10.699 1.00 0.00 O ATOM 729 CB ARG A 54 -14.218 7.982 -9.934 1.00 0.00 C ATOM 730 CG ARG A 54 -15.069 8.344 -11.151 1.00 0.00 C ATOM 731 CD ARG A 54 -16.523 8.599 -10.747 1.00 0.00 C ATOM 732 NE ARG A 54 -17.437 7.915 -11.688 1.00 0.00 N ATOM 733 CZ ARG A 54 -17.457 6.591 -11.889 1.00 0.00 C ATOM 734 NH1 ARG A 54 -16.613 5.799 -11.213 1.00 0.00 N ATOM 735 NH2 ARG A 54 -18.321 6.058 -12.761 1.00 0.00 N ATOM 0 H ARG A 54 -12.191 9.592 -11.722 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.198 8.230 -9.250 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.354 6.928 -9.691 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.552 8.554 -9.069 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.661 9.232 -11.634 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.027 7.536 -11.882 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -16.696 8.239 -9.733 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.726 9.670 -10.744 1.00 0.00 H new ATOM 0 HE ARG A 54 -18.094 8.488 -12.217 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.956 6.205 -10.546 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.627 4.791 -11.365 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.965 6.660 -13.273 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.335 5.050 -12.913 1.00 0.00 H new ATOM 746 N ASN A 55 -12.446 7.391 -12.426 1.00 0.00 N ATOM 747 CA ASN A 55 -11.982 6.456 -13.436 1.00 0.00 C ATOM 748 C ASN A 55 -12.617 5.086 -13.187 1.00 0.00 C ATOM 749 O ASN A 55 -13.109 4.814 -12.094 1.00 0.00 O ATOM 750 CB ASN A 55 -10.461 6.291 -13.376 1.00 0.00 C ATOM 751 CG ASN A 55 -9.763 7.652 -13.354 1.00 0.00 C ATOM 752 OD1 ASN A 55 -10.383 8.699 -13.449 1.00 0.00 O ATOM 753 ND2 ASN A 55 -8.441 7.580 -13.223 1.00 0.00 N ATOM 0 H ASN A 55 -12.976 8.183 -12.789 1.00 0.00 H new ATOM 0 HA ASN A 55 -12.264 6.847 -14.413 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.188 5.724 -12.486 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.120 5.717 -14.237 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.884 8.434 -13.197 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.985 6.671 -13.148 1.00 0.00 H new ATOM 759 N ARG A 56 -12.582 4.258 -14.221 1.00 0.00 N ATOM 760 CA ARG A 56 -13.149 2.923 -14.130 1.00 0.00 C ATOM 761 C ARG A 56 -12.441 1.978 -15.104 1.00 0.00 C ATOM 762 O ARG A 56 -13.046 1.505 -16.064 1.00 0.00 O ATOM 763 CB ARG A 56 -14.646 2.937 -14.440 1.00 0.00 C ATOM 764 CG ARG A 56 -15.257 1.545 -14.261 1.00 0.00 C ATOM 765 CD ARG A 56 -16.583 1.427 -15.014 1.00 0.00 C ATOM 766 NE ARG A 56 -16.380 1.729 -16.448 1.00 0.00 N ATOM 767 CZ ARG A 56 -17.354 1.704 -17.367 1.00 0.00 C ATOM 768 NH1 ARG A 56 -18.607 1.389 -17.006 1.00 0.00 N ATOM 769 NH2 ARG A 56 -17.078 1.991 -18.646 1.00 0.00 N ATOM 0 H ARG A 56 -12.170 4.486 -15.126 1.00 0.00 H new ATOM 0 HA ARG A 56 -13.006 2.571 -13.108 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -15.150 3.646 -13.784 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.806 3.279 -15.462 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.560 0.789 -14.623 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.418 1.348 -13.201 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -16.987 0.421 -14.900 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.314 2.115 -14.589 1.00 0.00 H new ATOM 0 HE ARG A 56 -15.438 1.972 -16.756 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -18.817 1.169 -16.032 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -19.350 1.370 -17.705 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.125 2.229 -18.921 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.821 1.972 -19.345 1.00 0.00 H new ATOM 780 N LEU A 57 -11.171 1.732 -14.821 1.00 0.00 N ATOM 781 CA LEU A 57 -10.374 0.852 -15.661 1.00 0.00 C ATOM 782 C LEU A 57 -8.925 0.857 -15.167 1.00 0.00 C ATOM 783 O LEU A 57 -8.051 1.437 -15.807 1.00 0.00 O ATOM 784 CB LEU A 57 -10.523 1.237 -17.134 1.00 0.00 C ATOM 785 CG LEU A 57 -10.977 0.122 -18.077 1.00 0.00 C ATOM 786 CD1 LEU A 57 -9.950 -1.011 -18.120 1.00 0.00 C ATOM 787 CD2 LEU A 57 -12.371 -0.382 -17.697 1.00 0.00 C ATOM 0 H LEU A 57 -10.673 2.126 -14.023 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.733 -0.174 -15.586 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.237 2.058 -17.204 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.565 1.617 -17.488 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.046 0.532 -19.084 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.297 -1.791 -18.798 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.994 -0.623 -18.472 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -9.826 -1.428 -17.120 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.671 -1.174 -18.383 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.352 -0.771 -16.679 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -13.084 0.440 -17.758 1.00 0.00 H new ATOM 798 N GLU A 58 -8.719 0.203 -14.034 1.00 0.00 N ATOM 799 CA GLU A 58 -7.392 0.123 -13.447 1.00 0.00 C ATOM 800 C GLU A 58 -6.820 -1.285 -13.616 1.00 0.00 C ATOM 801 O GLU A 58 -7.564 -2.239 -13.839 1.00 0.00 O ATOM 802 CB GLU A 58 -7.418 0.532 -11.973 1.00 0.00 C ATOM 803 CG GLU A 58 -8.155 1.860 -11.785 1.00 0.00 C ATOM 804 CD GLU A 58 -8.339 2.179 -10.300 1.00 0.00 C ATOM 805 OE1 GLU A 58 -7.351 2.649 -9.693 1.00 0.00 O ATOM 806 OE2 GLU A 58 -9.462 1.946 -9.804 1.00 0.00 O ATOM 0 H GLU A 58 -9.448 -0.277 -13.506 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.742 0.823 -13.972 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.906 -0.245 -11.385 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.398 0.622 -11.599 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.595 2.662 -12.266 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.128 1.812 -12.274 1.00 0.00 H new ATOM 811 N PRO A 59 -5.468 -1.375 -13.499 1.00 0.00 N ATOM 812 CA PRO A 59 -4.787 -2.651 -13.635 1.00 0.00 C ATOM 813 C PRO A 59 -4.987 -3.516 -12.388 1.00 0.00 C ATOM 814 O PRO A 59 -5.734 -4.493 -12.420 1.00 0.00 O ATOM 815 CB PRO A 59 -3.330 -2.296 -13.884 1.00 0.00 C ATOM 816 CG PRO A 59 -3.167 -0.858 -13.417 1.00 0.00 C ATOM 817 CD PRO A 59 -4.554 -0.267 -13.233 1.00 0.00 C ATOM 0 HA PRO A 59 -5.182 -3.252 -14.454 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.666 -2.963 -13.334 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.079 -2.395 -14.940 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.610 -0.822 -12.481 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -2.600 -0.281 -14.148 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.688 0.123 -12.224 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.726 0.562 -13.920 1.00 0.00 H new ATOM 822 N MET A 60 -4.308 -3.125 -11.321 1.00 0.00 N ATOM 823 CA MET A 60 -4.400 -3.851 -10.066 1.00 0.00 C ATOM 824 C MET A 60 -4.526 -2.890 -8.883 1.00 0.00 C ATOM 825 O MET A 60 -5.354 -3.094 -7.997 1.00 0.00 O ATOM 826 CB MET A 60 -3.156 -4.723 -9.888 1.00 0.00 C ATOM 827 CG MET A 60 -3.352 -6.099 -10.529 1.00 0.00 C ATOM 828 SD MET A 60 -2.653 -7.365 -9.483 1.00 0.00 S ATOM 829 CE MET A 60 -4.040 -8.485 -9.385 1.00 0.00 C ATOM 0 H MET A 60 -3.691 -2.313 -11.299 1.00 0.00 H new ATOM 0 HA MET A 60 -5.292 -4.477 -10.095 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.294 -4.229 -10.337 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.939 -4.840 -8.826 1.00 0.00 H new ATOM 0 HG2 MET A 60 -4.414 -6.289 -10.684 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.877 -6.123 -11.510 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.774 -9.340 -8.764 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.894 -7.969 -8.946 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.300 -8.831 -10.386 1.00 0.00 H new ATOM 837 N ASP A 61 -3.690 -1.862 -8.907 1.00 0.00 N ATOM 838 CA ASP A 61 -3.697 -0.868 -7.848 1.00 0.00 C ATOM 839 C ASP A 61 -3.805 -1.573 -6.493 1.00 0.00 C ATOM 840 O ASP A 61 -4.810 -1.436 -5.797 1.00 0.00 O ATOM 841 CB ASP A 61 -4.892 0.076 -7.986 1.00 0.00 C ATOM 842 CG ASP A 61 -4.754 1.409 -7.247 1.00 0.00 C ATOM 843 OD1 ASP A 61 -3.622 1.694 -6.800 1.00 0.00 O ATOM 844 OD2 ASP A 61 -5.782 2.112 -7.145 1.00 0.00 O ATOM 0 H ASP A 61 -3.004 -1.696 -9.643 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.774 -0.293 -7.919 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.054 0.280 -9.044 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.783 -0.434 -7.620 1.00 0.00 H new ATOM 848 N THR A 62 -2.756 -2.310 -6.162 1.00 0.00 N ATOM 849 CA THR A 62 -2.720 -3.035 -4.903 1.00 0.00 C ATOM 850 C THR A 62 -1.516 -2.594 -4.067 1.00 0.00 C ATOM 851 O THR A 62 -0.716 -1.772 -4.510 1.00 0.00 O ATOM 852 CB THR A 62 -2.721 -4.533 -5.222 1.00 0.00 C ATOM 853 OG1 THR A 62 -2.761 -4.585 -6.645 1.00 0.00 O ATOM 854 CG2 THR A 62 -4.017 -5.220 -4.787 1.00 0.00 C ATOM 0 H THR A 62 -1.925 -2.421 -6.743 1.00 0.00 H new ATOM 0 HA THR A 62 -3.597 -2.815 -4.294 1.00 0.00 H new ATOM 0 HB THR A 62 -1.873 -5.011 -4.731 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.900 -4.907 -6.985 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.968 -6.280 -5.035 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.146 -5.105 -3.711 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.861 -4.765 -5.305 1.00 0.00 H new ATOM 862 N ILE A 63 -1.428 -3.161 -2.873 1.00 0.00 N ATOM 863 CA ILE A 63 -0.336 -2.835 -1.970 1.00 0.00 C ATOM 864 C ILE A 63 0.317 -4.130 -1.480 1.00 0.00 C ATOM 865 O ILE A 63 -0.085 -4.683 -0.458 1.00 0.00 O ATOM 866 CB ILE A 63 -0.826 -1.928 -0.841 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.284 -0.573 -1.385 1.00 0.00 C ATOM 868 CG2 ILE A 63 0.241 -1.778 0.245 1.00 0.00 C ATOM 869 CD1 ILE A 63 -2.789 -0.384 -1.191 1.00 0.00 C ATOM 0 H ILE A 63 -2.094 -3.843 -2.510 1.00 0.00 H new ATOM 0 HA ILE A 63 0.433 -2.266 -2.492 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.693 -2.399 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.745 0.227 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.039 -0.501 -2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.134 -1.128 1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.477 -2.757 0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.141 -1.342 -0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.088 0.587 -1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.326 -1.172 -1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.028 -0.432 -0.129 1.00 0.00 H new ATOM 880 N PHE A 64 1.313 -4.575 -2.232 1.00 0.00 N ATOM 881 CA PHE A 64 2.024 -5.794 -1.887 1.00 0.00 C ATOM 882 C PHE A 64 3.102 -5.519 -0.835 1.00 0.00 C ATOM 883 O PHE A 64 3.895 -4.590 -0.981 1.00 0.00 O ATOM 884 CB PHE A 64 2.693 -6.298 -3.166 1.00 0.00 C ATOM 885 CG PHE A 64 1.710 -6.656 -4.283 1.00 0.00 C ATOM 886 CD1 PHE A 64 0.753 -7.598 -4.069 1.00 0.00 C ATOM 887 CD2 PHE A 64 1.794 -6.033 -5.488 1.00 0.00 C ATOM 888 CE1 PHE A 64 -0.159 -7.931 -5.107 1.00 0.00 C ATOM 889 CE2 PHE A 64 0.883 -6.366 -6.525 1.00 0.00 C ATOM 890 CZ PHE A 64 -0.075 -7.308 -6.312 1.00 0.00 C ATOM 0 H PHE A 64 1.644 -4.113 -3.079 1.00 0.00 H new ATOM 0 HA PHE A 64 1.330 -6.527 -1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.379 -5.533 -3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.293 -7.177 -2.928 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.686 -8.093 -3.111 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.554 -5.284 -5.657 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.919 -8.679 -4.938 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.951 -5.871 -7.483 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.769 -7.561 -7.100 1.00 0.00 H new ATOM 899 N VAL A 65 3.097 -6.346 0.200 1.00 0.00 N ATOM 900 CA VAL A 65 4.063 -6.204 1.275 1.00 0.00 C ATOM 901 C VAL A 65 5.446 -6.621 0.770 1.00 0.00 C ATOM 902 O VAL A 65 5.762 -7.810 0.724 1.00 0.00 O ATOM 903 CB VAL A 65 3.609 -7.002 2.498 1.00 0.00 C ATOM 904 CG1 VAL A 65 4.744 -7.146 3.514 1.00 0.00 C ATOM 905 CG2 VAL A 65 2.375 -6.365 3.141 1.00 0.00 C ATOM 0 H VAL A 65 2.439 -7.117 0.317 1.00 0.00 H new ATOM 0 HA VAL A 65 4.131 -5.163 1.591 1.00 0.00 H new ATOM 0 HB VAL A 65 3.334 -8.001 2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.393 -7.718 4.373 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.583 -7.665 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.066 -6.158 3.843 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.073 -6.952 4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.612 -5.349 3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.560 -6.340 2.418 1.00 0.00 H new ATOM 915 N LYS A 66 6.234 -5.622 0.403 1.00 0.00 N ATOM 916 CA LYS A 66 7.576 -5.871 -0.097 1.00 0.00 C ATOM 917 C LYS A 66 8.261 -6.912 0.789 1.00 0.00 C ATOM 918 O LYS A 66 8.766 -7.917 0.294 1.00 0.00 O ATOM 919 CB LYS A 66 8.354 -4.559 -0.219 1.00 0.00 C ATOM 920 CG LYS A 66 9.861 -4.804 -0.123 1.00 0.00 C ATOM 921 CD LYS A 66 10.329 -5.773 -1.211 1.00 0.00 C ATOM 922 CE LYS A 66 11.721 -5.395 -1.720 1.00 0.00 C ATOM 923 NZ LYS A 66 12.570 -6.599 -1.850 1.00 0.00 N ATOM 0 H LYS A 66 5.969 -4.638 0.442 1.00 0.00 H new ATOM 0 HA LYS A 66 7.536 -6.286 -1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.120 -4.080 -1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.043 -3.873 0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.394 -3.858 -0.220 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.106 -5.209 0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.346 -6.789 -0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.620 -5.765 -2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.638 -4.895 -2.685 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.186 -4.687 -1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.511 -6.324 -2.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.664 -7.060 -0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 12.133 -7.261 -2.523 1.00 0.00 H new ATOM 933 N GLN A 67 8.255 -6.635 2.085 1.00 0.00 N ATOM 934 CA GLN A 67 8.870 -7.536 3.045 1.00 0.00 C ATOM 935 C GLN A 67 8.315 -7.277 4.447 1.00 0.00 C ATOM 936 O GLN A 67 7.438 -6.433 4.624 1.00 0.00 O ATOM 937 CB GLN A 67 10.394 -7.400 3.026 1.00 0.00 C ATOM 938 CG GLN A 67 11.022 -8.416 2.070 1.00 0.00 C ATOM 939 CD GLN A 67 12.097 -9.244 2.777 1.00 0.00 C ATOM 940 OE1 GLN A 67 11.836 -9.962 3.729 1.00 0.00 O ATOM 941 NE2 GLN A 67 13.315 -9.106 2.261 1.00 0.00 N ATOM 0 H GLN A 67 7.834 -5.800 2.492 1.00 0.00 H new ATOM 0 HA GLN A 67 8.625 -8.560 2.761 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.669 -6.390 2.721 1.00 0.00 H new ATOM 0 HB3 GLN A 67 10.789 -7.548 4.031 1.00 0.00 H new ATOM 0 HG2 GLN A 67 10.249 -9.077 1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.460 -7.896 1.218 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.464 -8.488 1.463 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.100 -9.618 2.663 1.00 0.00 H new ATOM 948 N VAL A 68 8.849 -8.019 5.406 1.00 0.00 N ATOM 949 CA VAL A 68 8.417 -7.880 6.787 1.00 0.00 C ATOM 950 C VAL A 68 9.640 -7.915 7.705 1.00 0.00 C ATOM 951 O VAL A 68 10.289 -8.952 7.843 1.00 0.00 O ATOM 952 CB VAL A 68 7.386 -8.958 7.124 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.127 -9.018 8.630 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.084 -8.733 6.352 1.00 0.00 C ATOM 0 H VAL A 68 9.576 -8.718 5.255 1.00 0.00 H new ATOM 0 HA VAL A 68 7.924 -6.920 6.938 1.00 0.00 H new ATOM 0 HB VAL A 68 7.796 -9.920 6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.390 -9.793 8.842 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.057 -9.249 9.150 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.749 -8.055 8.973 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.368 -9.514 6.610 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.669 -7.760 6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.286 -8.765 5.281 1.00 0.00 H new ATOM 964 N LYS A 69 9.919 -6.769 8.310 1.00 0.00 N ATOM 965 CA LYS A 69 11.053 -6.657 9.211 1.00 0.00 C ATOM 966 C LYS A 69 11.064 -7.853 10.164 1.00 0.00 C ATOM 967 O LYS A 69 10.064 -8.134 10.824 1.00 0.00 O ATOM 968 CB LYS A 69 11.039 -5.304 9.924 1.00 0.00 C ATOM 969 CG LYS A 69 12.460 -4.816 10.208 1.00 0.00 C ATOM 970 CD LYS A 69 12.483 -3.309 10.467 1.00 0.00 C ATOM 971 CE LYS A 69 13.919 -2.796 10.602 1.00 0.00 C ATOM 972 NZ LYS A 69 14.431 -2.336 9.293 1.00 0.00 N ATOM 0 H LYS A 69 9.380 -5.911 8.194 1.00 0.00 H new ATOM 0 HA LYS A 69 11.988 -6.687 8.651 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.516 -4.571 9.310 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.486 -5.388 10.860 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.863 -5.343 11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.105 -5.053 9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.983 -2.789 9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.926 -3.084 11.377 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.953 -1.977 11.320 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.559 -3.588 10.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.406 -1.991 9.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.417 -3.127 8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.830 -1.566 8.936 1.00 0.00 H new ATOM 982 N GLU A 70 12.204 -8.527 10.205 1.00 0.00 N ATOM 983 CA GLU A 70 12.357 -9.687 11.066 1.00 0.00 C ATOM 984 C GLU A 70 12.446 -9.253 12.531 1.00 0.00 C ATOM 985 O GLU A 70 13.538 -9.025 13.049 1.00 0.00 O ATOM 986 CB GLU A 70 13.581 -10.511 10.664 1.00 0.00 C ATOM 987 CG GLU A 70 13.436 -11.966 11.112 1.00 0.00 C ATOM 988 CD GLU A 70 14.310 -12.253 12.335 1.00 0.00 C ATOM 989 OE1 GLU A 70 14.096 -11.568 13.358 1.00 0.00 O ATOM 990 OE2 GLU A 70 15.172 -13.151 12.219 1.00 0.00 O ATOM 0 H GLU A 70 13.031 -8.292 9.656 1.00 0.00 H new ATOM 0 HA GLU A 70 11.478 -10.321 10.947 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.711 -10.471 9.582 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.477 -10.078 11.109 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.393 -12.175 11.349 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.717 -12.631 10.296 1.00 0.00 H new ATOM 995 N GLY A 71 11.282 -9.153 13.157 1.00 0.00 N ATOM 996 CA GLY A 71 11.215 -8.750 14.552 1.00 0.00 C ATOM 997 C GLY A 71 10.522 -7.393 14.697 1.00 0.00 C ATOM 998 O GLY A 71 10.745 -6.680 15.674 1.00 0.00 O ATOM 0 H GLY A 71 10.378 -9.344 12.724 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.674 -9.502 15.126 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.221 -8.695 14.967 1.00 0.00 H new ATOM 1002 N GLY A 72 9.694 -7.079 13.711 1.00 0.00 N ATOM 1003 CA GLY A 72 8.968 -5.822 13.717 1.00 0.00 C ATOM 1004 C GLY A 72 7.528 -6.022 14.198 1.00 0.00 C ATOM 1005 O GLY A 72 7.181 -7.089 14.702 1.00 0.00 O ATOM 0 H GLY A 72 9.510 -7.674 12.903 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.476 -5.108 14.365 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.964 -5.395 12.714 1.00 0.00 H new ATOM 1009 N PRO A 73 6.707 -4.952 14.019 1.00 0.00 N ATOM 1010 CA PRO A 73 5.314 -5.001 14.428 1.00 0.00 C ATOM 1011 C PRO A 73 4.487 -5.841 13.455 1.00 0.00 C ATOM 1012 O PRO A 73 3.611 -6.599 13.872 1.00 0.00 O ATOM 1013 CB PRO A 73 4.870 -3.548 14.484 1.00 0.00 C ATOM 1014 CG PRO A 73 5.884 -2.770 13.662 1.00 0.00 C ATOM 1015 CD PRO A 73 7.084 -3.672 13.426 1.00 0.00 C ATOM 0 HA PRO A 73 5.176 -5.484 15.395 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.865 -3.431 14.078 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.842 -3.188 15.512 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.448 -2.459 12.713 1.00 0.00 H new ATOM 0 HG3 PRO A 73 6.185 -1.863 14.187 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.298 -3.776 12.362 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.982 -3.268 13.894 1.00 0.00 H new ATOM 1020 N ALA A 74 4.792 -5.680 12.176 1.00 0.00 N ATOM 1021 CA ALA A 74 4.087 -6.415 11.139 1.00 0.00 C ATOM 1022 C ALA A 74 4.423 -7.904 11.257 1.00 0.00 C ATOM 1023 O ALA A 74 3.528 -8.748 11.253 1.00 0.00 O ATOM 1024 CB ALA A 74 4.451 -5.842 9.769 1.00 0.00 C ATOM 0 H ALA A 74 5.518 -5.051 11.834 1.00 0.00 H new ATOM 0 HA ALA A 74 3.009 -6.310 11.260 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.922 -6.394 8.992 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.165 -4.791 9.727 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.526 -5.932 9.611 1.00 0.00 H new ATOM 1030 N PHE A 75 5.715 -8.179 11.359 1.00 0.00 N ATOM 1031 CA PHE A 75 6.179 -9.550 11.478 1.00 0.00 C ATOM 1032 C PHE A 75 5.429 -10.290 12.587 1.00 0.00 C ATOM 1033 O PHE A 75 5.038 -11.443 12.413 1.00 0.00 O ATOM 1034 CB PHE A 75 7.666 -9.489 11.837 1.00 0.00 C ATOM 1035 CG PHE A 75 8.177 -10.725 12.579 1.00 0.00 C ATOM 1036 CD1 PHE A 75 8.171 -11.938 11.964 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.641 -10.610 13.852 1.00 0.00 C ATOM 1038 CE1 PHE A 75 8.646 -13.086 12.653 1.00 0.00 C ATOM 1039 CE2 PHE A 75 9.117 -11.758 14.540 1.00 0.00 C ATOM 1040 CZ PHE A 75 9.109 -12.972 13.926 1.00 0.00 C ATOM 0 H PHE A 75 6.454 -7.476 11.362 1.00 0.00 H new ATOM 0 HA PHE A 75 6.007 -10.083 10.543 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.245 -9.361 10.923 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.845 -8.608 12.453 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.805 -12.029 10.952 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.648 -9.646 14.340 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.639 -14.050 12.165 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.485 -11.667 15.551 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.470 -13.845 14.450 1.00 0.00 H new ATOM 1049 N GLU A 76 5.251 -9.597 13.701 1.00 0.00 N ATOM 1050 CA GLU A 76 4.554 -10.173 14.838 1.00 0.00 C ATOM 1051 C GLU A 76 3.077 -10.387 14.503 1.00 0.00 C ATOM 1052 O GLU A 76 2.554 -11.490 14.664 1.00 0.00 O ATOM 1053 CB GLU A 76 4.713 -9.295 16.082 1.00 0.00 C ATOM 1054 CG GLU A 76 6.190 -9.046 16.392 1.00 0.00 C ATOM 1055 CD GLU A 76 6.624 -9.815 17.642 1.00 0.00 C ATOM 1056 OE1 GLU A 76 6.884 -11.030 17.500 1.00 0.00 O ATOM 1057 OE2 GLU A 76 6.685 -9.171 18.712 1.00 0.00 O ATOM 0 H GLU A 76 5.578 -8.641 13.841 1.00 0.00 H new ATOM 0 HA GLU A 76 5.000 -11.143 15.059 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.205 -8.343 15.927 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.235 -9.777 16.935 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.800 -9.352 15.542 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.360 -7.979 16.539 1.00 0.00 H new ATOM 1062 N ALA A 77 2.447 -9.317 14.042 1.00 0.00 N ATOM 1063 CA ALA A 77 1.039 -9.374 13.683 1.00 0.00 C ATOM 1064 C ALA A 77 0.772 -10.655 12.889 1.00 0.00 C ATOM 1065 O ALA A 77 -0.340 -11.179 12.906 1.00 0.00 O ATOM 1066 CB ALA A 77 0.661 -8.115 12.901 1.00 0.00 C ATOM 0 H ALA A 77 2.885 -8.405 13.909 1.00 0.00 H new ATOM 0 HA ALA A 77 0.415 -9.403 14.576 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.394 -8.157 12.632 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.843 -7.235 13.518 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.264 -8.054 11.995 1.00 0.00 H new ATOM 1072 N GLY A 78 1.811 -11.123 12.213 1.00 0.00 N ATOM 1073 CA GLY A 78 1.703 -12.332 11.415 1.00 0.00 C ATOM 1074 C GLY A 78 1.730 -12.008 9.920 1.00 0.00 C ATOM 1075 O GLY A 78 1.526 -12.888 9.086 1.00 0.00 O ATOM 0 H GLY A 78 2.733 -10.686 12.202 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.523 -13.007 11.659 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.778 -12.853 11.661 1.00 0.00 H new ATOM 1079 N LEU A 79 1.985 -10.740 9.628 1.00 0.00 N ATOM 1080 CA LEU A 79 2.042 -10.288 8.248 1.00 0.00 C ATOM 1081 C LEU A 79 3.064 -11.131 7.482 1.00 0.00 C ATOM 1082 O LEU A 79 3.915 -11.780 8.085 1.00 0.00 O ATOM 1083 CB LEU A 79 2.316 -8.785 8.188 1.00 0.00 C ATOM 1084 CG LEU A 79 1.587 -8.014 7.085 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.172 -7.631 7.528 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.398 -6.794 6.640 1.00 0.00 C ATOM 0 H LEU A 79 2.154 -10.013 10.323 1.00 0.00 H new ATOM 0 HA LEU A 79 1.079 -10.432 7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.046 -8.348 9.149 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.388 -8.636 8.060 1.00 0.00 H new ATOM 0 HG LEU A 79 1.488 -8.668 6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.325 -7.084 6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.395 -8.534 7.757 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.227 -7.002 8.417 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.857 -6.264 5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.550 -6.128 7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.365 -7.120 6.257 1.00 0.00 H new ATOM 1097 N CYS A 80 2.944 -11.092 6.162 1.00 0.00 N ATOM 1098 CA CYS A 80 3.846 -11.843 5.307 1.00 0.00 C ATOM 1099 C CYS A 80 4.292 -10.934 4.161 1.00 0.00 C ATOM 1100 O CYS A 80 4.002 -9.739 4.165 1.00 0.00 O ATOM 1101 CB CYS A 80 3.200 -13.132 4.795 1.00 0.00 C ATOM 1102 SG CYS A 80 4.439 -14.476 4.741 1.00 0.00 S ATOM 0 H CYS A 80 2.236 -10.552 5.665 1.00 0.00 H new ATOM 0 HA CYS A 80 4.718 -12.155 5.882 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.372 -13.416 5.444 1.00 0.00 H new ATOM 0 HB3 CYS A 80 2.784 -12.970 3.801 1.00 0.00 H new ATOM 0 HG CYS A 80 3.879 -15.566 4.307 1.00 0.00 H new ATOM 1107 N THR A 81 4.991 -11.533 3.208 1.00 0.00 N ATOM 1108 CA THR A 81 5.479 -10.793 2.058 1.00 0.00 C ATOM 1109 C THR A 81 4.617 -11.085 0.829 1.00 0.00 C ATOM 1110 O THR A 81 4.269 -12.236 0.569 1.00 0.00 O ATOM 1111 CB THR A 81 6.954 -11.143 1.862 1.00 0.00 C ATOM 1112 OG1 THR A 81 6.974 -12.566 1.843 1.00 0.00 O ATOM 1113 CG2 THR A 81 7.811 -10.774 3.077 1.00 0.00 C ATOM 0 H THR A 81 5.231 -12.524 3.209 1.00 0.00 H new ATOM 0 HA THR A 81 5.404 -9.718 2.220 1.00 0.00 H new ATOM 0 HB THR A 81 7.334 -10.628 0.980 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.197 -12.897 1.346 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.850 -11.044 2.885 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.742 -9.701 3.259 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.452 -11.314 3.953 1.00 0.00 H new ATOM 1121 N GLY A 82 4.295 -10.023 0.104 1.00 0.00 N ATOM 1122 CA GLY A 82 3.480 -10.152 -1.091 1.00 0.00 C ATOM 1123 C GLY A 82 1.989 -10.113 -0.745 1.00 0.00 C ATOM 1124 O GLY A 82 1.148 -10.482 -1.564 1.00 0.00 O ATOM 0 H GLY A 82 4.584 -9.069 0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.717 -9.346 -1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.715 -11.089 -1.597 1.00 0.00 H new ATOM 1128 N ASP A 83 1.707 -9.661 0.468 1.00 0.00 N ATOM 1129 CA ASP A 83 0.334 -9.569 0.932 1.00 0.00 C ATOM 1130 C ASP A 83 -0.289 -8.273 0.411 1.00 0.00 C ATOM 1131 O ASP A 83 0.344 -7.218 0.440 1.00 0.00 O ATOM 1132 CB ASP A 83 0.270 -9.543 2.459 1.00 0.00 C ATOM 1133 CG ASP A 83 0.712 -10.835 3.148 1.00 0.00 C ATOM 1134 OD1 ASP A 83 0.034 -11.861 2.922 1.00 0.00 O ATOM 1135 OD2 ASP A 83 1.720 -10.769 3.885 1.00 0.00 O ATOM 0 H ASP A 83 2.407 -9.354 1.144 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.206 -10.441 0.563 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.894 -8.725 2.820 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.753 -9.320 2.761 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.524 -8.393 -0.056 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.241 -7.244 -0.583 1.00 0.00 C ATOM 1141 C ARG A 84 -3.099 -6.606 0.510 1.00 0.00 C ATOM 1142 O ARG A 84 -3.833 -7.299 1.212 1.00 0.00 O ATOM 1143 CB ARG A 84 -3.137 -7.644 -1.757 1.00 0.00 C ATOM 1144 CG ARG A 84 -2.399 -7.490 -3.088 1.00 0.00 C ATOM 1145 CD ARG A 84 -3.134 -8.225 -4.210 1.00 0.00 C ATOM 1146 NE ARG A 84 -4.597 -8.111 -4.019 1.00 0.00 N ATOM 1147 CZ ARG A 84 -5.495 -8.944 -4.562 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -5.083 -9.957 -5.336 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -6.802 -8.764 -4.333 1.00 0.00 N ATOM 0 H ARG A 84 -2.046 -9.269 -0.080 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.501 -6.525 -0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.462 -8.677 -1.635 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -4.035 -7.026 -1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.310 -6.433 -3.338 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.386 -7.882 -2.994 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.852 -7.806 -5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.841 -9.275 -4.220 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.944 -7.349 -3.436 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.087 -10.093 -5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.765 -10.592 -5.750 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -7.115 -7.992 -3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.484 -9.399 -4.747 1.00 0.00 H new ATOM 1160 N ILE A 85 -2.978 -5.291 0.622 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.734 -4.551 1.618 1.00 0.00 C ATOM 1162 C ILE A 85 -5.137 -4.267 1.080 1.00 0.00 C ATOM 1163 O ILE A 85 -5.298 -3.912 -0.086 1.00 0.00 O ATOM 1164 CB ILE A 85 -2.972 -3.294 2.043 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.498 -3.610 2.309 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.642 -2.630 3.248 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.351 -4.621 3.448 1.00 0.00 C ATOM 0 H ILE A 85 -2.367 -4.719 0.039 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.854 -5.145 2.524 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.005 -2.579 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.038 -4.007 1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.965 -2.693 2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.081 -1.739 3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.663 -2.349 2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.660 -3.328 4.085 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.294 -4.828 3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.790 -4.211 4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.864 -5.545 3.182 1.00 0.00 H new ATOM 1178 N ILE A 86 -6.117 -4.435 1.955 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.502 -4.201 1.583 1.00 0.00 C ATOM 1180 C ILE A 86 -8.079 -3.084 2.455 1.00 0.00 C ATOM 1181 O ILE A 86 -8.816 -2.229 1.969 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.301 -5.503 1.644 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -8.294 -6.085 3.060 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -7.792 -6.509 0.609 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -9.115 -7.375 3.126 1.00 0.00 C ATOM 0 H ILE A 86 -5.979 -4.731 2.921 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.566 -3.863 0.549 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.338 -5.279 1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.268 -6.286 3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.701 -5.355 3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.378 -7.426 0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.892 -6.085 -0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.744 -6.734 0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.094 -7.768 4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.146 -7.165 2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.691 -8.111 2.443 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.720 -3.128 3.729 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.193 -2.131 4.676 1.00 0.00 C ATOM 1198 C LYS A 87 -7.002 -1.560 5.447 1.00 0.00 C ATOM 1199 O LYS A 87 -5.945 -2.188 5.518 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.283 -2.719 5.574 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.491 -3.166 4.750 1.00 0.00 C ATOM 1202 CD LYS A 87 -10.892 -4.601 5.098 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.543 -5.296 3.902 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.216 -6.543 4.328 1.00 0.00 N ATOM 0 H LYS A 87 -7.107 -3.838 4.129 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.661 -1.299 4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.883 -3.568 6.129 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.594 -1.976 6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.330 -2.495 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.256 -3.098 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.012 -5.161 5.413 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.584 -4.594 5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.266 -4.627 3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.787 -5.523 3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.055 -7.285 3.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.829 -6.851 5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.237 -6.371 4.424 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.210 -0.376 6.004 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.166 0.285 6.768 1.00 0.00 C ATOM 1216 C VAL A 88 -6.803 1.285 7.734 1.00 0.00 C ATOM 1217 O VAL A 88 -7.611 2.118 7.328 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.154 0.933 5.819 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.111 1.738 6.596 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -4.485 -0.118 4.931 1.00 0.00 C ATOM 0 H VAL A 88 -8.086 0.143 5.941 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.614 -0.439 7.367 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.696 1.623 5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.405 2.188 5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.608 2.523 7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.576 1.078 7.279 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.771 0.368 4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.964 -0.843 5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.243 -0.629 4.337 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.414 1.170 8.995 1.00 0.00 N ATOM 1231 CA ASN A 89 -6.938 2.055 10.023 1.00 0.00 C ATOM 1232 C ASN A 89 -8.465 2.080 9.938 1.00 0.00 C ATOM 1233 O ASN A 89 -9.095 3.067 10.318 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.429 3.485 9.831 1.00 0.00 C ATOM 1235 CG ASN A 89 -4.899 3.527 9.831 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -4.268 4.095 8.953 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.340 2.896 10.858 1.00 0.00 N ATOM 0 H ASN A 89 -5.743 0.478 9.329 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.605 1.682 10.991 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.807 3.886 8.891 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -6.814 4.122 10.627 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.324 2.866 10.947 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.927 2.441 11.558 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.016 0.985 9.437 1.00 0.00 N ATOM 1244 CA GLY A 90 -10.458 0.870 9.297 1.00 0.00 C ATOM 1245 C GLY A 90 -11.026 2.038 8.487 1.00 0.00 C ATOM 1246 O GLY A 90 -12.081 2.574 8.821 1.00 0.00 O ATOM 0 H GLY A 90 -8.490 0.169 9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.705 -0.071 8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.922 0.847 10.283 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.300 2.398 7.440 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.717 3.493 6.581 1.00 0.00 C ATOM 1252 C GLU A 91 -11.200 2.955 5.232 1.00 0.00 C ATOM 1253 O GLU A 91 -11.667 3.717 4.388 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.585 4.505 6.394 1.00 0.00 C ATOM 1255 CG GLU A 91 -9.768 5.709 7.321 1.00 0.00 C ATOM 1256 CD GLU A 91 -11.036 6.487 6.966 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -11.460 6.377 5.796 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -11.553 7.175 7.873 1.00 0.00 O ATOM 0 H GLU A 91 -9.425 1.951 7.167 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.547 4.011 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.627 4.027 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.559 4.840 5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.822 5.371 8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.901 6.366 7.246 1.00 0.00 H new ATOM 1263 N SER A 92 -11.070 1.646 5.073 1.00 0.00 N ATOM 1264 CA SER A 92 -11.486 0.997 3.842 1.00 0.00 C ATOM 1265 C SER A 92 -10.722 1.586 2.654 1.00 0.00 C ATOM 1266 O SER A 92 -11.128 2.602 2.092 1.00 0.00 O ATOM 1267 CB SER A 92 -12.995 1.142 3.626 1.00 0.00 C ATOM 1268 OG SER A 92 -13.356 0.978 2.258 1.00 0.00 O ATOM 0 H SER A 92 -10.682 1.017 5.777 1.00 0.00 H new ATOM 0 HA SER A 92 -11.257 -0.066 3.922 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.521 0.403 4.231 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.318 2.124 3.971 1.00 0.00 H new ATOM 0 HG SER A 92 -14.326 1.076 2.162 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.629 0.923 2.309 1.00 0.00 N ATOM 1274 CA VAL A 93 -8.803 1.368 1.199 1.00 0.00 C ATOM 1275 C VAL A 93 -9.236 0.641 -0.076 1.00 0.00 C ATOM 1276 O VAL A 93 -8.522 0.659 -1.078 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.323 1.161 1.531 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -6.970 1.801 2.876 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -6.960 -0.324 1.519 1.00 0.00 C ATOM 0 H VAL A 93 -9.296 0.081 2.778 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.938 2.436 1.027 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.734 1.655 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.913 1.640 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.173 2.871 2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.572 1.348 3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.903 -0.442 1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.561 -0.851 2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.157 -0.739 0.530 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.403 0.019 0.002 1.00 0.00 N ATOM 1290 CA ILE A 94 -10.940 -0.712 -1.133 1.00 0.00 C ATOM 1291 C ILE A 94 -11.312 0.275 -2.240 1.00 0.00 C ATOM 1292 O ILE A 94 -12.438 0.767 -2.286 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.099 -1.609 -0.694 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -11.671 -2.543 0.440 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -12.678 -2.378 -1.882 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -12.063 -1.966 1.803 1.00 0.00 C ATOM 0 H ILE A 94 -10.992 0.006 0.834 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.186 -1.384 -1.544 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.894 -0.973 -0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.136 -3.520 0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.592 -2.696 0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.500 -3.008 -1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.045 -1.673 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -11.902 -3.002 -2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -11.747 -2.649 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.577 -1.001 1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -13.144 -1.837 1.846 1.00 0.00 H new ATOM 1307 N GLY A 95 -10.344 0.537 -3.105 1.00 0.00 N ATOM 1308 CA GLY A 95 -10.555 1.458 -4.210 1.00 0.00 C ATOM 1309 C GLY A 95 -9.721 2.728 -4.032 1.00 0.00 C ATOM 1310 O GLY A 95 -9.849 3.672 -4.810 1.00 0.00 O ATOM 0 H GLY A 95 -9.411 0.128 -3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.289 0.972 -5.149 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.611 1.718 -4.274 1.00 0.00 H new ATOM 1314 N LYS A 96 -8.885 2.710 -3.005 1.00 0.00 N ATOM 1315 CA LYS A 96 -8.030 3.850 -2.716 1.00 0.00 C ATOM 1316 C LYS A 96 -6.733 3.725 -3.519 1.00 0.00 C ATOM 1317 O LYS A 96 -6.603 2.838 -4.360 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.808 3.982 -1.208 1.00 0.00 C ATOM 1319 CG LYS A 96 -8.887 4.861 -0.570 1.00 0.00 C ATOM 1320 CD LYS A 96 -8.529 5.208 0.875 1.00 0.00 C ATOM 1321 CE LYS A 96 -9.783 5.535 1.688 1.00 0.00 C ATOM 1322 NZ LYS A 96 -10.421 6.770 1.182 1.00 0.00 N ATOM 0 H LYS A 96 -8.781 1.925 -2.362 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.511 4.777 -3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.819 2.994 -0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.824 4.411 -1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.004 5.777 -1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.846 4.343 -0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.002 4.371 1.334 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.849 6.060 0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.487 4.705 1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.520 5.658 2.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.759 7.340 1.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.728 7.319 0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.225 6.520 0.571 1.00 0.00 H new ATOM 1332 N THR A 97 -5.809 4.629 -3.231 1.00 0.00 N ATOM 1333 CA THR A 97 -4.528 4.633 -3.917 1.00 0.00 C ATOM 1334 C THR A 97 -3.382 4.540 -2.907 1.00 0.00 C ATOM 1335 O THR A 97 -3.558 4.861 -1.732 1.00 0.00 O ATOM 1336 CB THR A 97 -4.465 5.883 -4.795 1.00 0.00 C ATOM 1337 OG1 THR A 97 -3.089 5.988 -5.152 1.00 0.00 O ATOM 1338 CG2 THR A 97 -4.744 7.166 -4.008 1.00 0.00 C ATOM 0 H THR A 97 -5.921 5.364 -2.532 1.00 0.00 H new ATOM 0 HA THR A 97 -4.422 3.761 -4.562 1.00 0.00 H new ATOM 0 HB THR A 97 -5.185 5.792 -5.608 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.958 6.773 -5.724 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.687 8.024 -4.678 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.740 7.114 -3.569 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.004 7.275 -3.216 1.00 0.00 H new ATOM 1346 N TYR A 98 -2.234 4.100 -3.401 1.00 0.00 N ATOM 1347 CA TYR A 98 -1.060 3.962 -2.556 1.00 0.00 C ATOM 1348 C TYR A 98 -0.880 5.190 -1.661 1.00 0.00 C ATOM 1349 O TYR A 98 -0.805 5.066 -0.440 1.00 0.00 O ATOM 1350 CB TYR A 98 0.134 3.859 -3.507 1.00 0.00 C ATOM 1351 CG TYR A 98 1.416 3.354 -2.845 1.00 0.00 C ATOM 1352 CD1 TYR A 98 1.375 2.253 -2.012 1.00 0.00 C ATOM 1353 CD2 TYR A 98 2.615 3.997 -3.077 1.00 0.00 C ATOM 1354 CE1 TYR A 98 2.581 1.777 -1.388 1.00 0.00 C ATOM 1355 CE2 TYR A 98 3.822 3.519 -2.454 1.00 0.00 C ATOM 1356 CZ TYR A 98 3.746 2.433 -1.639 1.00 0.00 C ATOM 1357 OH TYR A 98 4.886 1.982 -1.049 1.00 0.00 O ATOM 0 H TYR A 98 -2.092 3.834 -4.376 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.155 3.091 -1.907 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.126 3.191 -4.328 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.324 4.840 -3.942 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.437 1.749 -1.829 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.648 4.859 -3.726 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.562 0.917 -0.734 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.767 4.012 -2.630 1.00 0.00 H new ATOM 0 HH TYR A 98 5.640 2.546 -1.320 1.00 0.00 H new ATOM 1366 N SER A 99 -0.818 6.347 -2.304 1.00 0.00 N ATOM 1367 CA SER A 99 -0.649 7.596 -1.581 1.00 0.00 C ATOM 1368 C SER A 99 -1.600 7.641 -0.384 1.00 0.00 C ATOM 1369 O SER A 99 -1.198 8.001 0.720 1.00 0.00 O ATOM 1370 CB SER A 99 -0.889 8.798 -2.495 1.00 0.00 C ATOM 1371 OG SER A 99 0.061 9.838 -2.273 1.00 0.00 O ATOM 0 H SER A 99 -0.882 6.446 -3.317 1.00 0.00 H new ATOM 0 HA SER A 99 0.379 7.647 -1.222 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.839 8.478 -3.536 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.895 9.184 -2.329 1.00 0.00 H new ATOM 0 HG SER A 99 -0.126 10.586 -2.877 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.846 7.271 -0.645 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.859 7.264 0.398 1.00 0.00 C ATOM 1378 C GLN A 100 -3.461 6.302 1.519 1.00 0.00 C ATOM 1379 O GLN A 100 -3.144 6.732 2.626 1.00 0.00 O ATOM 1380 CB GLN A 100 -5.231 6.903 -0.174 1.00 0.00 C ATOM 1381 CG GLN A 100 -6.002 8.158 -0.587 1.00 0.00 C ATOM 1382 CD GLN A 100 -7.299 8.293 0.211 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -8.395 8.192 -0.315 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -7.115 8.528 1.508 1.00 0.00 N ATOM 0 H GLN A 100 -3.177 6.974 -1.563 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.929 8.268 0.817 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.108 6.248 -1.036 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.804 6.348 0.569 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.380 9.039 -0.429 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.229 8.115 -1.652 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.170 8.601 1.884 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.919 8.635 2.126 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.489 5.019 1.191 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.136 3.992 2.157 1.00 0.00 C ATOM 1393 C VAL A 101 -1.839 4.390 2.865 1.00 0.00 C ATOM 1394 O VAL A 101 -1.660 4.105 4.048 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.045 2.630 1.465 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -4.435 2.125 1.068 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.117 2.693 0.250 1.00 0.00 C ATOM 0 H VAL A 101 -3.751 4.667 0.270 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.910 3.903 2.919 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.619 1.920 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.344 1.156 0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.054 2.024 1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.898 2.835 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.070 1.712 -0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.501 3.422 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.118 2.989 0.570 1.00 0.00 H new ATOM 1407 N ILE A 102 -0.966 5.042 2.110 1.00 0.00 N ATOM 1408 CA ILE A 102 0.309 5.482 2.651 1.00 0.00 C ATOM 1409 C ILE A 102 0.061 6.459 3.802 1.00 0.00 C ATOM 1410 O ILE A 102 0.462 6.203 4.936 1.00 0.00 O ATOM 1411 CB ILE A 102 1.194 6.051 1.540 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.817 4.929 0.705 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.253 6.994 2.113 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.950 4.241 1.470 1.00 0.00 C ATOM 0 H ILE A 102 -1.117 5.276 1.129 1.00 0.00 H new ATOM 0 HA ILE A 102 0.860 4.637 3.064 1.00 0.00 H new ATOM 0 HB ILE A 102 0.566 6.639 0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.052 4.197 0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.200 5.337 -0.231 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.869 7.385 1.303 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.764 7.821 2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.882 6.450 2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.375 3.448 0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.724 4.971 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.559 3.813 2.393 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.598 7.559 3.470 1.00 0.00 N ATOM 1426 CA ALA A 103 -0.904 8.577 4.460 1.00 0.00 C ATOM 1427 C ALA A 103 -1.499 7.910 5.702 1.00 0.00 C ATOM 1428 O ALA A 103 -1.159 8.271 6.828 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.845 9.617 3.850 1.00 0.00 C ATOM 0 H ALA A 103 -0.929 7.768 2.528 1.00 0.00 H new ATOM 0 HA ALA A 103 0.002 9.099 4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.074 10.381 4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.365 10.082 2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.768 9.131 3.533 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.377 6.948 5.455 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.022 6.227 6.539 1.00 0.00 C ATOM 1437 C LEU A 104 -1.954 5.666 7.480 1.00 0.00 C ATOM 1438 O LEU A 104 -2.041 5.833 8.696 1.00 0.00 O ATOM 1439 CB LEU A 104 -3.973 5.165 5.986 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.114 5.680 5.106 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.170 4.595 4.887 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -5.720 6.960 5.684 1.00 0.00 C ATOM 0 H LEU A 104 -2.656 6.651 4.520 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.643 6.902 7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.389 4.449 5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.405 4.620 6.825 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.703 5.932 4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.970 4.987 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.712 3.735 4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.582 4.289 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.528 7.304 5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.112 6.759 6.681 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.952 7.731 5.745 1.00 0.00 H new ATOM 1453 N ILE A 105 -0.970 5.011 6.882 1.00 0.00 N ATOM 1454 CA ILE A 105 0.115 4.425 7.651 1.00 0.00 C ATOM 1455 C ILE A 105 0.850 5.529 8.412 1.00 0.00 C ATOM 1456 O ILE A 105 1.266 5.330 9.553 1.00 0.00 O ATOM 1457 CB ILE A 105 1.025 3.592 6.746 1.00 0.00 C ATOM 1458 CG1 ILE A 105 0.314 2.322 6.273 1.00 0.00 C ATOM 1459 CG2 ILE A 105 2.353 3.281 7.439 1.00 0.00 C ATOM 1460 CD1 ILE A 105 0.757 1.938 4.861 1.00 0.00 C ATOM 0 H ILE A 105 -0.901 4.873 5.874 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.278 3.732 8.395 1.00 0.00 H new ATOM 0 HB ILE A 105 1.256 4.182 5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.529 1.504 6.960 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.765 2.478 6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.980 2.688 6.774 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.863 4.213 7.684 1.00 0.00 H new ATOM 0 HG23 ILE A 105 2.163 2.720 8.354 1.00 0.00 H new ATOM 0 HD11 ILE A 105 0.236 1.032 4.550 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.519 2.748 4.172 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.832 1.759 4.853 1.00 0.00 H new ATOM 1471 N GLN A 106 0.988 6.669 7.752 1.00 0.00 N ATOM 1472 CA GLN A 106 1.664 7.806 8.353 1.00 0.00 C ATOM 1473 C GLN A 106 0.754 8.489 9.373 1.00 0.00 C ATOM 1474 O GLN A 106 1.225 9.222 10.241 1.00 0.00 O ATOM 1475 CB GLN A 106 2.129 8.797 7.282 1.00 0.00 C ATOM 1476 CG GLN A 106 3.169 8.159 6.359 1.00 0.00 C ATOM 1477 CD GLN A 106 4.468 8.966 6.356 1.00 0.00 C ATOM 1478 OE1 GLN A 106 5.254 8.930 7.290 1.00 0.00 O ATOM 1479 NE2 GLN A 106 4.649 9.697 5.260 1.00 0.00 N ATOM 0 H GLN A 106 0.643 6.830 6.806 1.00 0.00 H new ATOM 0 HA GLN A 106 2.549 7.442 8.874 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.274 9.132 6.695 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.554 9.680 7.759 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.372 7.138 6.684 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.772 8.098 5.346 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.952 9.681 4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.485 10.273 5.164 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.538 8.225 9.236 1.00 0.00 N ATOM 1487 CA ASN A 107 -1.521 8.804 10.136 1.00 0.00 C ATOM 1488 C ASN A 107 -2.013 7.730 11.109 1.00 0.00 C ATOM 1489 O ASN A 107 -3.083 7.864 11.699 1.00 0.00 O ATOM 1490 CB ASN A 107 -2.731 9.332 9.364 1.00 0.00 C ATOM 1491 CG ASN A 107 -2.427 10.692 8.732 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -1.894 11.592 9.360 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -2.795 10.789 7.458 1.00 0.00 N ATOM 0 H ASN A 107 -0.926 7.617 8.515 1.00 0.00 H new ATOM 0 HA ASN A 107 -1.045 9.627 10.669 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -3.010 8.620 8.587 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -3.585 9.422 10.036 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -2.636 11.657 6.946 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -3.237 9.996 6.993 1.00 0.00 H new ATOM 1499 N SER A 108 -1.206 6.688 11.247 1.00 0.00 N ATOM 1500 CA SER A 108 -1.545 5.590 12.138 1.00 0.00 C ATOM 1501 C SER A 108 -1.642 6.097 13.578 1.00 0.00 C ATOM 1502 O SER A 108 -2.157 5.402 14.452 1.00 0.00 O ATOM 1503 CB SER A 108 -0.516 4.464 12.039 1.00 0.00 C ATOM 1504 OG SER A 108 -0.342 4.015 10.698 1.00 0.00 O ATOM 0 H SER A 108 -0.318 6.580 10.757 1.00 0.00 H new ATOM 0 HA SER A 108 -2.512 5.189 11.835 1.00 0.00 H new ATOM 0 HB2 SER A 108 0.440 4.811 12.432 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.832 3.628 12.663 1.00 0.00 H new ATOM 0 HG SER A 108 0.580 4.186 10.413 1.00 0.00 H new ATOM 1509 N ASP A 109 -1.137 7.305 13.782 1.00 0.00 N ATOM 1510 CA ASP A 109 -1.159 7.913 15.102 1.00 0.00 C ATOM 1511 C ASP A 109 -0.379 7.030 16.078 1.00 0.00 C ATOM 1512 O ASP A 109 0.845 7.123 16.164 1.00 0.00 O ATOM 1513 CB ASP A 109 -2.591 8.044 15.623 1.00 0.00 C ATOM 1514 CG ASP A 109 -2.709 8.349 17.118 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -1.657 8.643 17.723 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -3.851 8.282 17.621 1.00 0.00 O ATOM 0 H ASP A 109 -0.710 7.879 13.055 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.711 8.904 15.025 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.094 8.834 15.065 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.124 7.117 15.413 1.00 0.00 H new ATOM 1520 N THR A 110 -1.119 6.193 16.790 1.00 0.00 N ATOM 1521 CA THR A 110 -0.514 5.295 17.757 1.00 0.00 C ATOM 1522 C THR A 110 -0.204 3.944 17.109 1.00 0.00 C ATOM 1523 O THR A 110 0.956 3.547 17.017 1.00 0.00 O ATOM 1524 CB THR A 110 -1.453 5.191 18.961 1.00 0.00 C ATOM 1525 OG1 THR A 110 -1.563 6.531 19.432 1.00 0.00 O ATOM 1526 CG2 THR A 110 -0.823 4.436 20.132 1.00 0.00 C ATOM 0 H THR A 110 -2.134 6.118 16.716 1.00 0.00 H new ATOM 0 HA THR A 110 0.444 5.680 18.107 1.00 0.00 H new ATOM 0 HB THR A 110 -2.374 4.691 18.660 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.156 6.556 20.212 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.531 4.391 20.959 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.568 3.424 19.817 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.080 4.954 20.455 1.00 0.00 H new ATOM 1534 N THR A 111 -1.263 3.274 16.678 1.00 0.00 N ATOM 1535 CA THR A 111 -1.120 1.976 16.041 1.00 0.00 C ATOM 1536 C THR A 111 -1.542 2.052 14.573 1.00 0.00 C ATOM 1537 O THR A 111 -2.243 2.981 14.171 1.00 0.00 O ATOM 1538 CB THR A 111 -1.926 0.961 16.852 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.952 1.738 17.463 1.00 0.00 O ATOM 1540 CG2 THR A 111 -1.134 0.393 18.033 1.00 0.00 C ATOM 0 H THR A 111 -2.224 3.606 16.758 1.00 0.00 H new ATOM 0 HA THR A 111 -0.079 1.654 16.031 1.00 0.00 H new ATOM 0 HB THR A 111 -2.241 0.146 16.201 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.523 1.156 18.007 1.00 0.00 H new ATOM 0 HG21 THR A 111 -1.752 -0.322 18.575 1.00 0.00 H new ATOM 0 HG22 THR A 111 -0.239 -0.108 17.664 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.846 1.204 18.702 1.00 0.00 H new ATOM 1548 N LEU A 112 -1.099 1.064 13.810 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.421 1.008 12.395 1.00 0.00 C ATOM 1550 C LEU A 112 -2.134 -0.310 12.091 1.00 0.00 C ATOM 1551 O LEU A 112 -1.516 -1.373 12.114 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.167 1.238 11.549 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.358 1.170 10.033 1.00 0.00 C ATOM 1554 CD1 LEU A 112 -0.060 -0.235 9.506 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -1.756 1.646 9.634 1.00 0.00 C ATOM 0 H LEU A 112 -0.519 0.295 14.146 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.108 1.812 12.129 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.242 2.217 11.800 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.580 0.498 11.834 1.00 0.00 H new ATOM 0 HG LEU A 112 0.358 1.848 9.568 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.203 -0.256 8.426 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.971 -0.501 9.741 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.735 -0.951 9.976 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.865 1.587 8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.505 1.013 10.109 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.895 2.678 9.957 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.425 -0.199 11.813 1.00 0.00 N ATOM 1567 CA GLU A 113 -4.228 -1.370 11.504 1.00 0.00 C ATOM 1568 C GLU A 113 -4.194 -1.656 10.001 1.00 0.00 C ATOM 1569 O GLU A 113 -4.389 -0.753 9.189 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.666 -1.192 11.996 1.00 0.00 C ATOM 1571 CG GLU A 113 -6.449 -2.502 11.882 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.871 -2.340 12.423 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -8.039 -2.545 13.644 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.756 -2.012 11.604 1.00 0.00 O ATOM 0 H GLU A 113 -3.935 0.684 11.795 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.803 -2.227 12.026 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.661 -0.856 13.033 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.161 -0.416 11.412 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.487 -2.818 10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.933 -3.287 12.435 1.00 0.00 H new ATOM 1579 N LEU A 114 -3.946 -2.916 9.678 1.00 0.00 N ATOM 1580 CA LEU A 114 -3.884 -3.334 8.288 1.00 0.00 C ATOM 1581 C LEU A 114 -4.871 -4.480 8.058 1.00 0.00 C ATOM 1582 O LEU A 114 -5.550 -4.914 8.988 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.445 -3.673 7.893 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.464 -2.499 7.857 1.00 0.00 C ATOM 1585 CD1 LEU A 114 -0.019 -2.988 7.974 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.679 -1.643 6.607 1.00 0.00 C ATOM 0 H LEU A 114 -3.785 -3.662 10.355 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.186 -2.517 7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.064 -4.418 8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.460 -4.138 6.907 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.660 -1.864 8.721 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.658 -2.134 7.946 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.109 -3.522 8.916 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.207 -3.657 7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.969 -0.816 6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.526 -2.254 5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.695 -1.249 6.606 1.00 0.00 H new ATOM 1597 N SER A 115 -4.919 -4.936 6.816 1.00 0.00 N ATOM 1598 CA SER A 115 -5.813 -6.024 6.453 1.00 0.00 C ATOM 1599 C SER A 115 -5.442 -6.567 5.072 1.00 0.00 C ATOM 1600 O SER A 115 -5.274 -5.801 4.124 1.00 0.00 O ATOM 1601 CB SER A 115 -7.273 -5.566 6.468 1.00 0.00 C ATOM 1602 OG SER A 115 -7.521 -4.609 7.495 1.00 0.00 O ATOM 0 H SER A 115 -4.354 -4.573 6.048 1.00 0.00 H new ATOM 0 HA SER A 115 -5.702 -6.818 7.191 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.527 -5.134 5.500 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.923 -6.429 6.612 1.00 0.00 H new ATOM 0 HG SER A 115 -7.204 -4.960 8.353 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.324 -7.885 5.001 1.00 0.00 N ATOM 1608 CA VAL A 116 -4.975 -8.539 3.751 1.00 0.00 C ATOM 1609 C VAL A 116 -5.966 -9.673 3.481 1.00 0.00 C ATOM 1610 O VAL A 116 -6.946 -9.833 4.208 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.521 -9.015 3.797 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.580 -7.864 4.157 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.357 -10.183 4.770 1.00 0.00 C ATOM 0 H VAL A 116 -5.464 -8.518 5.789 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.047 -7.838 2.920 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.252 -9.369 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.553 -8.228 4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.667 -7.076 3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -2.849 -7.467 5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.315 -10.502 4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.653 -9.867 5.770 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -3.986 -11.014 4.451 1.00 0.00 H new ATOM 1623 N MET A 117 -5.677 -10.431 2.434 1.00 0.00 N ATOM 1624 CA MET A 117 -6.530 -11.546 2.059 1.00 0.00 C ATOM 1625 C MET A 117 -5.707 -12.814 1.825 1.00 0.00 C ATOM 1626 O MET A 117 -5.145 -13.003 0.748 1.00 0.00 O ATOM 1627 CB MET A 117 -7.300 -11.195 0.784 1.00 0.00 C ATOM 1628 CG MET A 117 -8.365 -10.132 1.062 1.00 0.00 C ATOM 1629 SD MET A 117 -9.994 -10.841 0.888 1.00 0.00 S ATOM 1630 CE MET A 117 -10.108 -11.737 2.426 1.00 0.00 C ATOM 0 H MET A 117 -4.864 -10.295 1.833 1.00 0.00 H new ATOM 0 HA MET A 117 -7.227 -11.734 2.875 1.00 0.00 H new ATOM 0 HB2 MET A 117 -6.607 -10.831 0.025 1.00 0.00 H new ATOM 0 HB3 MET A 117 -7.772 -12.091 0.381 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.239 -9.733 2.068 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.247 -9.297 0.371 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.132 -11.695 2.797 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.823 -12.777 2.263 1.00 0.00 H new ATOM 0 HE3 MET A 117 -9.438 -11.288 3.159 1.00 0.00 H new ATOM 1638 N PRO A 118 -5.660 -13.671 2.880 1.00 0.00 N ATOM 1639 CA PRO A 118 -4.914 -14.916 2.799 1.00 0.00 C ATOM 1640 C PRO A 118 -5.657 -15.948 1.948 1.00 0.00 C ATOM 1641 O PRO A 118 -6.887 -15.952 1.906 1.00 0.00 O ATOM 1642 CB PRO A 118 -4.728 -15.357 4.242 1.00 0.00 C ATOM 1643 CG PRO A 118 -5.770 -14.598 5.047 1.00 0.00 C ATOM 1644 CD PRO A 118 -6.312 -13.480 4.171 1.00 0.00 C ATOM 0 HA PRO A 118 -3.950 -14.797 2.305 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.865 -16.434 4.342 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -3.721 -15.130 4.593 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -6.575 -15.265 5.356 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -5.328 -14.190 5.956 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -7.397 -13.539 4.079 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -6.081 -12.501 4.590 1.00 0.00 H new ATOM 1649 N LYS A 119 -4.881 -16.798 1.294 1.00 0.00 N ATOM 1650 CA LYS A 119 -5.450 -17.832 0.448 1.00 0.00 C ATOM 1651 C LYS A 119 -5.047 -19.206 0.986 1.00 0.00 C ATOM 1652 O LYS A 119 -4.118 -19.315 1.784 1.00 0.00 O ATOM 1653 CB LYS A 119 -5.056 -17.605 -1.015 1.00 0.00 C ATOM 1654 CG LYS A 119 -6.230 -17.039 -1.817 1.00 0.00 C ATOM 1655 CD LYS A 119 -6.817 -18.099 -2.751 1.00 0.00 C ATOM 1656 CE LYS A 119 -6.943 -17.563 -4.178 1.00 0.00 C ATOM 1657 NZ LYS A 119 -5.741 -17.907 -4.969 1.00 0.00 N ATOM 0 H LYS A 119 -3.862 -16.792 1.333 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.539 -17.787 0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.211 -16.918 -1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.728 -18.546 -1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.002 -16.682 -1.136 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.897 -16.180 -2.400 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.182 -18.985 -2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.797 -18.407 -2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.830 -17.982 -4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -7.074 -16.481 -4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.843 -17.536 -5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -4.900 -17.487 -4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.633 -18.941 -5.005 1.00 0.00 H new ATOM 1667 N ASP A 120 -5.767 -20.220 0.529 1.00 0.00 N ATOM 1668 CA ASP A 120 -5.497 -21.582 0.955 1.00 0.00 C ATOM 1669 C ASP A 120 -4.005 -21.879 0.785 1.00 0.00 C ATOM 1670 O ASP A 120 -3.520 -22.012 -0.338 1.00 0.00 O ATOM 1671 CB ASP A 120 -6.278 -22.589 0.111 1.00 0.00 C ATOM 1672 CG ASP A 120 -6.975 -23.696 0.903 1.00 0.00 C ATOM 1673 OD1 ASP A 120 -6.796 -23.706 2.141 1.00 0.00 O ATOM 1674 OD2 ASP A 120 -7.671 -24.508 0.256 1.00 0.00 O ATOM 0 H ASP A 120 -6.538 -20.125 -0.133 1.00 0.00 H new ATOM 0 HA ASP A 120 -5.800 -21.675 1.998 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -7.028 -22.050 -0.468 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -5.595 -23.049 -0.603 1.00 0.00 H new ATOM 1678 N SER A 121 -3.320 -21.973 1.914 1.00 0.00 N ATOM 1679 CA SER A 121 -1.894 -22.251 1.903 1.00 0.00 C ATOM 1680 C SER A 121 -1.126 -21.031 1.389 1.00 0.00 C ATOM 1681 O SER A 121 -1.559 -20.375 0.443 1.00 0.00 O ATOM 1682 CB SER A 121 -1.578 -23.477 1.045 1.00 0.00 C ATOM 1683 OG SER A 121 -1.030 -24.543 1.816 1.00 0.00 O ATOM 0 H SER A 121 -3.726 -21.862 2.843 1.00 0.00 H new ATOM 0 HA SER A 121 -1.580 -22.466 2.925 1.00 0.00 H new ATOM 0 HB2 SER A 121 -2.488 -23.818 0.551 1.00 0.00 H new ATOM 0 HB3 SER A 121 -0.875 -23.199 0.260 1.00 0.00 H new ATOM 0 HG SER A 121 -0.844 -25.307 1.232 1.00 0.00 H new ATOM 1688 N GLY A 122 0.000 -20.766 2.035 1.00 0.00 N ATOM 1689 CA GLY A 122 0.832 -19.637 1.654 1.00 0.00 C ATOM 1690 C GLY A 122 2.029 -19.496 2.596 1.00 0.00 C ATOM 1691 O GLY A 122 3.157 -19.810 2.224 1.00 0.00 O ATOM 0 H GLY A 122 0.356 -21.313 2.819 1.00 0.00 H new ATOM 0 HA2 GLY A 122 1.183 -19.769 0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 122 0.240 -18.722 1.673 1.00 0.00 H new ATOM 1695 N PRO A 123 1.733 -19.008 3.831 1.00 0.00 N ATOM 1696 CA PRO A 123 2.772 -18.821 4.830 1.00 0.00 C ATOM 1697 C PRO A 123 3.208 -20.161 5.426 1.00 0.00 C ATOM 1698 O PRO A 123 2.523 -21.170 5.260 1.00 0.00 O ATOM 1699 CB PRO A 123 2.163 -17.882 5.859 1.00 0.00 C ATOM 1700 CG PRO A 123 0.660 -17.949 5.647 1.00 0.00 C ATOM 1701 CD PRO A 123 0.408 -18.623 4.307 1.00 0.00 C ATOM 0 HA PRO A 123 3.685 -18.396 4.413 1.00 0.00 H new ATOM 0 HB2 PRO A 123 2.429 -18.187 6.871 1.00 0.00 H new ATOM 0 HB3 PRO A 123 2.531 -16.865 5.726 1.00 0.00 H new ATOM 0 HG2 PRO A 123 0.186 -18.510 6.452 1.00 0.00 H new ATOM 0 HG3 PRO A 123 0.228 -16.948 5.658 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -0.241 -19.492 4.417 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -0.082 -17.945 3.609 1.00 0.00 H new ATOM 1706 N SER A 124 4.344 -20.129 6.107 1.00 0.00 N ATOM 1707 CA SER A 124 4.879 -21.328 6.728 1.00 0.00 C ATOM 1708 C SER A 124 6.209 -21.012 7.414 1.00 0.00 C ATOM 1709 O SER A 124 7.276 -21.273 6.858 1.00 0.00 O ATOM 1710 CB SER A 124 5.065 -22.445 5.699 1.00 0.00 C ATOM 1711 OG SER A 124 4.389 -23.640 6.082 1.00 0.00 O ATOM 0 H SER A 124 4.909 -19.291 6.242 1.00 0.00 H new ATOM 0 HA SER A 124 4.165 -21.674 7.475 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.692 -22.112 4.730 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.128 -22.653 5.577 1.00 0.00 H new ATOM 0 HG SER A 124 4.530 -24.329 5.399 1.00 0.00 H new ATOM 1716 N SER A 125 6.103 -20.458 8.612 1.00 0.00 N ATOM 1717 CA SER A 125 7.285 -20.104 9.381 1.00 0.00 C ATOM 1718 C SER A 125 7.033 -20.346 10.870 1.00 0.00 C ATOM 1719 O SER A 125 5.884 -20.431 11.303 1.00 0.00 O ATOM 1720 CB SER A 125 7.684 -18.646 9.139 1.00 0.00 C ATOM 1721 OG SER A 125 8.915 -18.317 9.776 1.00 0.00 O ATOM 0 H SER A 125 5.217 -20.245 9.070 1.00 0.00 H new ATOM 0 HA SER A 125 8.109 -20.737 9.052 1.00 0.00 H new ATOM 0 HB2 SER A 125 7.771 -18.467 8.067 1.00 0.00 H new ATOM 0 HB3 SER A 125 6.897 -17.989 9.509 1.00 0.00 H new ATOM 0 HG SER A 125 9.136 -17.379 9.597 1.00 0.00 H new ATOM 1726 N GLY A 126 8.124 -20.450 11.614 1.00 0.00 N ATOM 1727 CA GLY A 126 8.035 -20.679 13.045 1.00 0.00 C ATOM 1728 C GLY A 126 8.642 -22.034 13.421 1.00 0.00 C ATOM 1729 O GLY A 126 8.671 -22.399 14.596 1.00 0.00 O ATOM 0 H GLY A 126 9.075 -20.380 11.252 1.00 0.00 H new ATOM 0 HA2 GLY A 126 8.555 -19.883 13.578 1.00 0.00 H new ATOM 0 HA3 GLY A 126 6.992 -20.644 13.359 1.00 0.00 H new TER 1733 GLY A 126