USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 845 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 84 SER OG : rot -172:sc= 1.28 USER MOD Set 1.2: A 91 ASN : amide:sc= 2.26 K(o=3.5,f=-6.9!) USER MOD Set 2.1: A 12 GLN : amide:sc= 0 X(o=0,f=0.028) USER MOD Set 2.2: A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.257 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0888 USER MOD Single : A 5 SER OG : rot 50:sc= 0.233 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0739 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 45:sc= 0.0372 USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.155 USER MOD Single : A 30 SER OG : rot 58:sc= 0.864 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 36 ASN : amide:sc= -0.0585 X(o=-0.058,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 155:sc= 1.24 USER MOD Single : A 43 LYS NZ :NH3+ 179:sc= 0.622 (180deg=0.621) USER MOD Single : A 49 HIS : no HD1:sc= -2.89 K(o=-2.9,f=-4.2!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0.662 K(o=0.66,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= 1.21 (180deg=1.09) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.31 X(o=-1.3,f=-0.99) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.375 K(o=-0.37,f=-1.6) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.854! C(o=-0.85!,f=-6.8!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 105:sc= 1.21 USER MOD Single : A 82 SER OG : rot -89:sc= 1.33 USER MOD Single : A 85 SER OG : rot -115:sc= 0.393 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.0136 USER MOD Single : A 97 GLN : amide:sc= 0.0298 K(o=0.03,f=-1.3) USER MOD Single : A 98 LYS NZ :NH3+ -157:sc= -0.0639 (180deg=-0.35) USER MOD Single : A 102 MET CE :methyl -165:sc= -1.22 (180deg=-1.36) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 51:sc= 0.361 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.725 36.032 -12.650 1.00 0.00 N ATOM 2 CA GLY A 1 -34.923 34.834 -13.486 1.00 0.00 C ATOM 3 C GLY A 1 -34.273 33.641 -12.806 1.00 0.00 C ATOM 4 O GLY A 1 -33.680 33.825 -11.747 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.648 36.459 -12.431 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.249 35.763 -11.765 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.139 36.721 -13.163 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.987 34.649 -13.633 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.487 34.988 -14.473 1.00 0.00 H new ATOM 8 N SER A 2 -34.370 32.454 -13.403 1.00 0.00 N ATOM 9 CA SER A 2 -33.910 31.208 -12.807 1.00 0.00 C ATOM 10 C SER A 2 -32.953 30.558 -13.800 1.00 0.00 C ATOM 11 O SER A 2 -33.369 30.150 -14.884 1.00 0.00 O ATOM 12 CB SER A 2 -35.115 30.318 -12.471 1.00 0.00 C ATOM 13 OG SER A 2 -36.031 31.002 -11.631 1.00 0.00 O ATOM 0 H SER A 2 -34.778 32.333 -14.330 1.00 0.00 H new ATOM 0 HA SER A 2 -33.382 31.375 -11.868 1.00 0.00 H new ATOM 0 HB2 SER A 2 -35.616 30.014 -13.390 1.00 0.00 H new ATOM 0 HB3 SER A 2 -34.774 29.408 -11.978 1.00 0.00 H new ATOM 0 HG SER A 2 -36.791 30.417 -11.431 1.00 0.00 H new ATOM 19 N SER A 3 -31.658 30.570 -13.496 1.00 0.00 N ATOM 20 CA SER A 3 -30.592 30.013 -14.320 1.00 0.00 C ATOM 21 C SER A 3 -29.423 29.682 -13.387 1.00 0.00 C ATOM 22 O SER A 3 -29.353 30.239 -12.290 1.00 0.00 O ATOM 23 CB SER A 3 -30.160 31.046 -15.374 1.00 0.00 C ATOM 24 OG SER A 3 -31.275 31.573 -16.075 1.00 0.00 O ATOM 0 H SER A 3 -31.309 30.986 -12.632 1.00 0.00 H new ATOM 0 HA SER A 3 -30.927 29.117 -14.843 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.618 31.857 -14.888 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.472 30.581 -16.080 1.00 0.00 H new ATOM 0 HG SER A 3 -30.966 32.227 -16.736 1.00 0.00 H new ATOM 30 N GLY A 4 -28.503 28.819 -13.817 1.00 0.00 N ATOM 31 CA GLY A 4 -27.402 28.348 -12.992 1.00 0.00 C ATOM 32 C GLY A 4 -27.180 26.878 -13.300 1.00 0.00 C ATOM 33 O GLY A 4 -28.026 26.054 -12.966 1.00 0.00 O ATOM 0 H GLY A 4 -28.505 28.426 -14.758 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.498 28.921 -13.199 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.632 28.485 -11.935 1.00 0.00 H new ATOM 37 N SER A 5 -26.091 26.562 -13.996 1.00 0.00 N ATOM 38 CA SER A 5 -25.762 25.209 -14.413 1.00 0.00 C ATOM 39 C SER A 5 -24.242 25.117 -14.503 1.00 0.00 C ATOM 40 O SER A 5 -23.669 25.258 -15.585 1.00 0.00 O ATOM 41 CB SER A 5 -26.467 24.893 -15.742 1.00 0.00 C ATOM 42 OG SER A 5 -26.218 25.906 -16.702 1.00 0.00 O ATOM 0 H SER A 5 -25.402 27.255 -14.290 1.00 0.00 H new ATOM 0 HA SER A 5 -26.111 24.463 -13.699 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.120 23.933 -16.123 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.540 24.800 -15.576 1.00 0.00 H new ATOM 0 HG SER A 5 -25.256 26.086 -16.746 1.00 0.00 H new ATOM 48 N SER A 6 -23.580 24.994 -13.358 1.00 0.00 N ATOM 49 CA SER A 6 -22.158 24.708 -13.299 1.00 0.00 C ATOM 50 C SER A 6 -21.923 23.226 -13.610 1.00 0.00 C ATOM 51 O SER A 6 -22.835 22.411 -13.462 1.00 0.00 O ATOM 52 CB SER A 6 -21.651 25.094 -11.905 1.00 0.00 C ATOM 53 OG SER A 6 -22.589 24.771 -10.887 1.00 0.00 O ATOM 0 H SER A 6 -24.020 25.091 -12.443 1.00 0.00 H new ATOM 0 HA SER A 6 -21.606 25.285 -14.041 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.710 24.580 -11.707 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.442 26.163 -11.879 1.00 0.00 H new ATOM 0 HG SER A 6 -22.227 25.031 -10.014 1.00 0.00 H new ATOM 59 N GLY A 7 -20.700 22.867 -14.006 1.00 0.00 N ATOM 60 CA GLY A 7 -20.286 21.481 -14.150 1.00 0.00 C ATOM 61 C GLY A 7 -20.071 20.901 -12.761 1.00 0.00 C ATOM 62 O GLY A 7 -20.755 19.950 -12.390 1.00 0.00 O ATOM 0 H GLY A 7 -19.968 23.539 -14.236 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.045 20.912 -14.686 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.368 21.417 -14.734 1.00 0.00 H new ATOM 66 N GLU A 8 -19.163 21.512 -11.988 1.00 0.00 N ATOM 67 CA GLU A 8 -18.812 21.160 -10.608 1.00 0.00 C ATOM 68 C GLU A 8 -18.782 19.634 -10.423 1.00 0.00 C ATOM 69 O GLU A 8 -19.457 19.082 -9.550 1.00 0.00 O ATOM 70 CB GLU A 8 -19.776 21.884 -9.646 1.00 0.00 C ATOM 71 CG GLU A 8 -19.474 23.383 -9.514 1.00 0.00 C ATOM 72 CD GLU A 8 -18.270 23.665 -8.617 1.00 0.00 C ATOM 73 OE1 GLU A 8 -18.400 23.523 -7.378 1.00 0.00 O ATOM 74 OE2 GLU A 8 -17.204 24.048 -9.152 1.00 0.00 O ATOM 0 H GLU A 8 -18.625 22.309 -12.329 1.00 0.00 H new ATOM 0 HA GLU A 8 -17.803 21.498 -10.373 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -20.799 21.754 -9.999 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -19.717 21.419 -8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -19.290 23.801 -10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -20.350 23.892 -9.111 1.00 0.00 H new ATOM 81 N HIS A 9 -18.083 18.925 -11.313 1.00 0.00 N ATOM 82 CA HIS A 9 -18.098 17.470 -11.315 1.00 0.00 C ATOM 83 C HIS A 9 -17.372 16.940 -10.083 1.00 0.00 C ATOM 84 O HIS A 9 -16.285 17.423 -9.756 1.00 0.00 O ATOM 85 CB HIS A 9 -17.487 16.911 -12.604 1.00 0.00 C ATOM 86 CG HIS A 9 -17.272 15.418 -12.553 1.00 0.00 C ATOM 87 ND1 HIS A 9 -18.249 14.461 -12.392 1.00 0.00 N ATOM 88 CD2 HIS A 9 -16.065 14.776 -12.560 1.00 0.00 C ATOM 89 CE1 HIS A 9 -17.649 13.263 -12.340 1.00 0.00 C ATOM 90 NE2 HIS A 9 -16.315 13.399 -12.455 1.00 0.00 N ATOM 0 H HIS A 9 -17.501 19.341 -12.040 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.134 17.133 -11.277 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -18.140 17.150 -13.443 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -16.533 17.404 -12.792 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -15.094 15.244 -12.633 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -18.164 12.321 -12.222 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -15.623 12.650 -12.464 1.00 0.00 H new ATOM 98 N ALA A 10 -17.948 15.903 -9.472 1.00 0.00 N ATOM 99 CA ALA A 10 -17.361 15.091 -8.420 1.00 0.00 C ATOM 100 C ALA A 10 -16.073 14.431 -8.925 1.00 0.00 C ATOM 101 O ALA A 10 -16.102 13.296 -9.393 1.00 0.00 O ATOM 102 CB ALA A 10 -18.392 14.036 -7.991 1.00 0.00 C ATOM 0 H ALA A 10 -18.889 15.595 -9.716 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.101 15.710 -7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -17.970 13.415 -7.201 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.289 14.533 -7.622 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.649 13.410 -8.846 1.00 0.00 H new ATOM 108 N LYS A 11 -14.934 15.122 -8.857 1.00 0.00 N ATOM 109 CA LYS A 11 -13.648 14.545 -9.234 1.00 0.00 C ATOM 110 C LYS A 11 -13.280 13.486 -8.200 1.00 0.00 C ATOM 111 O LYS A 11 -13.507 13.702 -7.007 1.00 0.00 O ATOM 112 CB LYS A 11 -12.603 15.660 -9.296 1.00 0.00 C ATOM 113 CG LYS A 11 -11.237 15.164 -9.777 1.00 0.00 C ATOM 114 CD LYS A 11 -10.260 16.338 -9.817 1.00 0.00 C ATOM 115 CE LYS A 11 -8.833 15.800 -9.912 1.00 0.00 C ATOM 116 NZ LYS A 11 -7.873 16.744 -9.317 1.00 0.00 N ATOM 0 H LYS A 11 -14.879 16.090 -8.541 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.695 14.074 -10.216 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.955 16.446 -9.964 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -12.495 16.107 -8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.863 14.387 -9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.327 14.717 -10.767 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.478 16.979 -10.671 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.372 16.951 -8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.768 14.839 -9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.576 15.624 -10.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.911 16.356 -9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.921 17.652 -9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.107 16.892 -8.315 1.00 0.00 H new ATOM 130 N GLN A 12 -12.726 12.353 -8.630 1.00 0.00 N ATOM 131 CA GLN A 12 -12.290 11.323 -7.701 1.00 0.00 C ATOM 132 C GLN A 12 -11.105 11.813 -6.866 1.00 0.00 C ATOM 133 O GLN A 12 -10.166 12.396 -7.415 1.00 0.00 O ATOM 134 CB GLN A 12 -11.879 10.041 -8.436 1.00 0.00 C ATOM 135 CG GLN A 12 -13.016 9.042 -8.690 1.00 0.00 C ATOM 136 CD GLN A 12 -12.495 7.631 -8.464 1.00 0.00 C ATOM 137 OE1 GLN A 12 -12.345 7.215 -7.316 1.00 0.00 O ATOM 138 NE2 GLN A 12 -12.102 6.919 -9.503 1.00 0.00 N ATOM 0 H GLN A 12 -12.571 12.130 -9.613 1.00 0.00 H new ATOM 0 HA GLN A 12 -13.136 11.103 -7.049 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -11.437 10.316 -9.394 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -11.101 9.543 -7.857 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -13.853 9.246 -8.022 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -13.389 9.147 -9.709 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.234 7.280 -10.448 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.666 6.008 -9.361 1.00 0.00 H new ATOM 147 N ALA A 13 -11.102 11.463 -5.574 1.00 0.00 N ATOM 148 CA ALA A 13 -9.986 11.693 -4.667 1.00 0.00 C ATOM 149 C ALA A 13 -8.793 10.820 -5.073 1.00 0.00 C ATOM 150 O ALA A 13 -7.958 11.297 -5.845 1.00 0.00 O ATOM 151 CB ALA A 13 -10.423 11.480 -3.214 1.00 0.00 C ATOM 0 H ALA A 13 -11.895 11.003 -5.127 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.659 12.730 -4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.577 11.656 -2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.226 12.175 -2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.777 10.457 -3.087 1.00 0.00 H new ATOM 157 N SER A 14 -8.680 9.575 -4.581 1.00 0.00 N ATOM 158 CA SER A 14 -7.512 8.746 -4.864 1.00 0.00 C ATOM 159 C SER A 14 -7.683 7.251 -4.535 1.00 0.00 C ATOM 160 O SER A 14 -7.496 6.806 -3.401 1.00 0.00 O ATOM 161 CB SER A 14 -6.287 9.363 -4.174 1.00 0.00 C ATOM 162 OG SER A 14 -6.463 9.564 -2.780 1.00 0.00 O ATOM 0 H SER A 14 -9.382 9.129 -3.990 1.00 0.00 H new ATOM 0 HA SER A 14 -7.369 8.747 -5.945 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.425 8.715 -4.333 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.058 10.319 -4.645 1.00 0.00 H new ATOM 0 HG SER A 14 -6.871 8.766 -2.383 1.00 0.00 H new ATOM 168 N SER A 15 -7.980 6.435 -5.545 1.00 0.00 N ATOM 169 CA SER A 15 -7.918 4.975 -5.472 1.00 0.00 C ATOM 170 C SER A 15 -7.082 4.369 -6.610 1.00 0.00 C ATOM 171 O SER A 15 -7.128 3.156 -6.825 1.00 0.00 O ATOM 172 CB SER A 15 -9.343 4.416 -5.382 1.00 0.00 C ATOM 173 OG SER A 15 -10.175 4.935 -6.399 1.00 0.00 O ATOM 0 H SER A 15 -8.277 6.778 -6.458 1.00 0.00 H new ATOM 0 HA SER A 15 -7.389 4.679 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.312 3.329 -5.457 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.767 4.657 -4.407 1.00 0.00 H new ATOM 0 HG SER A 15 -11.074 4.556 -6.311 1.00 0.00 H new ATOM 179 N TYR A 16 -6.333 5.198 -7.342 1.00 0.00 N ATOM 180 CA TYR A 16 -5.580 4.821 -8.529 1.00 0.00 C ATOM 181 C TYR A 16 -4.253 4.138 -8.190 1.00 0.00 C ATOM 182 O TYR A 16 -4.064 2.986 -8.578 1.00 0.00 O ATOM 183 CB TYR A 16 -5.417 6.041 -9.452 1.00 0.00 C ATOM 184 CG TYR A 16 -4.924 7.338 -8.820 1.00 0.00 C ATOM 185 CD1 TYR A 16 -5.847 8.228 -8.245 1.00 0.00 C ATOM 186 CD2 TYR A 16 -3.566 7.701 -8.864 1.00 0.00 C ATOM 187 CE1 TYR A 16 -5.425 9.455 -7.708 1.00 0.00 C ATOM 188 CE2 TYR A 16 -3.128 8.930 -8.332 1.00 0.00 C ATOM 189 CZ TYR A 16 -4.066 9.820 -7.759 1.00 0.00 C ATOM 190 OH TYR A 16 -3.700 11.045 -7.292 1.00 0.00 O ATOM 0 H TYR A 16 -6.234 6.187 -7.111 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.148 4.066 -9.074 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.725 5.770 -10.249 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.381 6.240 -9.921 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.894 7.965 -8.216 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -2.849 7.029 -9.312 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.145 10.120 -7.255 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.081 9.191 -8.362 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.311 11.318 -6.576 1.00 0.00 H new ATOM 200 N ILE A 17 -3.380 4.823 -7.447 1.00 0.00 N ATOM 201 CA ILE A 17 -1.954 4.553 -7.241 1.00 0.00 C ATOM 202 C ILE A 17 -1.193 4.260 -8.558 1.00 0.00 C ATOM 203 O ILE A 17 -1.274 3.161 -9.110 1.00 0.00 O ATOM 204 CB ILE A 17 -1.699 3.514 -6.129 1.00 0.00 C ATOM 205 CG1 ILE A 17 -2.348 3.907 -4.782 1.00 0.00 C ATOM 206 CG2 ILE A 17 -0.186 3.325 -5.914 1.00 0.00 C ATOM 207 CD1 ILE A 17 -1.818 5.208 -4.160 1.00 0.00 C ATOM 0 H ILE A 17 -3.677 5.651 -6.930 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.521 5.482 -6.871 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.158 2.584 -6.464 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.424 4.004 -4.929 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.196 3.094 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.019 2.590 -5.127 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.272 2.976 -6.839 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.262 4.275 -5.623 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.334 5.398 -3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.748 5.113 -3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.995 6.037 -4.845 1.00 0.00 H new ATOM 219 N PRO A 18 -0.413 5.235 -9.055 1.00 0.00 N ATOM 220 CA PRO A 18 0.317 5.143 -10.316 1.00 0.00 C ATOM 221 C PRO A 18 1.579 4.300 -10.142 1.00 0.00 C ATOM 222 O PRO A 18 2.571 4.766 -9.582 1.00 0.00 O ATOM 223 CB PRO A 18 0.653 6.603 -10.663 1.00 0.00 C ATOM 224 CG PRO A 18 0.825 7.251 -9.283 1.00 0.00 C ATOM 225 CD PRO A 18 -0.142 6.508 -8.399 1.00 0.00 C ATOM 0 HA PRO A 18 -0.256 4.659 -11.107 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.561 6.678 -11.261 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.145 7.076 -11.235 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.849 7.153 -8.923 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.598 8.317 -9.313 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.282 6.350 -7.407 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.061 7.078 -8.265 1.00 0.00 H new ATOM 233 N LEU A 19 1.561 3.051 -10.610 1.00 0.00 N ATOM 234 CA LEU A 19 2.633 2.092 -10.334 1.00 0.00 C ATOM 235 C LEU A 19 3.983 2.631 -10.822 1.00 0.00 C ATOM 236 O LEU A 19 4.969 2.581 -10.094 1.00 0.00 O ATOM 237 CB LEU A 19 2.322 0.697 -10.923 1.00 0.00 C ATOM 238 CG LEU A 19 0.909 0.158 -10.613 1.00 0.00 C ATOM 239 CD1 LEU A 19 0.708 -1.291 -11.081 1.00 0.00 C ATOM 240 CD2 LEU A 19 0.558 0.211 -9.127 1.00 0.00 C ATOM 0 H LEU A 19 0.808 2.677 -11.188 1.00 0.00 H new ATOM 0 HA LEU A 19 2.697 1.966 -9.253 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.449 0.739 -12.005 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.057 -0.013 -10.543 1.00 0.00 H new ATOM 0 HG LEU A 19 0.249 0.824 -11.169 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.303 -1.615 -10.836 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.857 -1.349 -12.159 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.428 -1.938 -10.580 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.448 -0.182 -8.976 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.271 -0.391 -8.563 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.600 1.243 -8.780 1.00 0.00 H new ATOM 252 N ASP A 20 4.039 3.199 -12.025 1.00 0.00 N ATOM 253 CA ASP A 20 5.286 3.710 -12.599 1.00 0.00 C ATOM 254 C ASP A 20 5.842 4.963 -11.897 1.00 0.00 C ATOM 255 O ASP A 20 7.033 5.258 -12.020 1.00 0.00 O ATOM 256 CB ASP A 20 5.088 3.948 -14.092 1.00 0.00 C ATOM 257 CG ASP A 20 6.346 4.539 -14.719 1.00 0.00 C ATOM 258 OD1 ASP A 20 7.331 3.792 -14.903 1.00 0.00 O ATOM 259 OD2 ASP A 20 6.342 5.766 -14.964 1.00 0.00 O ATOM 0 H ASP A 20 3.226 3.319 -12.629 1.00 0.00 H new ATOM 0 HA ASP A 20 6.048 2.947 -12.437 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.838 3.008 -14.584 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.247 4.623 -14.249 1.00 0.00 H new ATOM 264 N ARG A 21 5.050 5.686 -11.092 1.00 0.00 N ATOM 265 CA ARG A 21 5.617 6.740 -10.234 1.00 0.00 C ATOM 266 C ARG A 21 6.446 6.134 -9.105 1.00 0.00 C ATOM 267 O ARG A 21 7.201 6.867 -8.466 1.00 0.00 O ATOM 268 CB ARG A 21 4.508 7.622 -9.628 1.00 0.00 C ATOM 269 CG ARG A 21 3.796 8.564 -10.615 1.00 0.00 C ATOM 270 CD ARG A 21 4.472 9.932 -10.804 1.00 0.00 C ATOM 271 NE ARG A 21 5.855 9.788 -11.261 1.00 0.00 N ATOM 272 CZ ARG A 21 6.974 10.118 -10.610 1.00 0.00 C ATOM 273 NH1 ARG A 21 6.956 10.888 -9.525 1.00 0.00 N ATOM 274 NH2 ARG A 21 8.113 9.629 -11.070 1.00 0.00 N ATOM 0 H ARG A 21 4.040 5.567 -11.016 1.00 0.00 H new ATOM 0 HA ARG A 21 6.258 7.358 -10.863 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.762 6.973 -9.170 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.942 8.223 -8.829 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.731 8.070 -11.584 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.775 8.724 -10.270 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.908 10.521 -11.527 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.454 10.481 -9.863 1.00 0.00 H new ATOM 0 HE ARG A 21 5.980 9.387 -12.190 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.070 11.245 -9.167 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.828 11.122 -9.051 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.114 9.025 -11.892 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.991 9.856 -10.603 1.00 0.00 H new ATOM 288 N LEU A 22 6.288 4.841 -8.817 1.00 0.00 N ATOM 289 CA LEU A 22 6.902 4.176 -7.679 1.00 0.00 C ATOM 290 C LEU A 22 7.967 3.215 -8.190 1.00 0.00 C ATOM 291 O LEU A 22 8.081 2.939 -9.384 1.00 0.00 O ATOM 292 CB LEU A 22 5.867 3.421 -6.811 1.00 0.00 C ATOM 293 CG LEU A 22 4.463 4.035 -6.707 1.00 0.00 C ATOM 294 CD1 LEU A 22 3.558 3.182 -5.815 1.00 0.00 C ATOM 295 CD2 LEU A 22 4.452 5.459 -6.149 1.00 0.00 C ATOM 0 H LEU A 22 5.715 4.217 -9.385 1.00 0.00 H new ATOM 0 HA LEU A 22 7.352 4.935 -7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.766 2.410 -7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.272 3.330 -5.803 1.00 0.00 H new ATOM 0 HG LEU A 22 4.095 4.065 -7.733 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.570 3.638 -5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.472 2.180 -6.236 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.987 3.119 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.426 5.825 -6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.881 5.460 -5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.042 6.108 -6.797 1.00 0.00 H new ATOM 307 N SER A 23 8.694 2.643 -7.245 1.00 0.00 N ATOM 308 CA SER A 23 9.785 1.713 -7.439 1.00 0.00 C ATOM 309 C SER A 23 9.284 0.382 -6.890 1.00 0.00 C ATOM 310 O SER A 23 9.465 0.073 -5.711 1.00 0.00 O ATOM 311 CB SER A 23 11.035 2.265 -6.728 1.00 0.00 C ATOM 312 OG SER A 23 11.390 3.514 -7.299 1.00 0.00 O ATOM 0 H SER A 23 8.523 2.831 -6.257 1.00 0.00 H new ATOM 0 HA SER A 23 10.080 1.574 -8.479 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.838 2.383 -5.662 1.00 0.00 H new ATOM 0 HB3 SER A 23 11.862 1.561 -6.824 1.00 0.00 H new ATOM 0 HG SER A 23 12.184 3.867 -6.846 1.00 0.00 H new ATOM 318 N ILE A 24 8.561 -0.365 -7.725 1.00 0.00 N ATOM 319 CA ILE A 24 8.080 -1.698 -7.390 1.00 0.00 C ATOM 320 C ILE A 24 9.278 -2.629 -7.522 1.00 0.00 C ATOM 321 O ILE A 24 10.064 -2.485 -8.462 1.00 0.00 O ATOM 322 CB ILE A 24 6.918 -2.139 -8.321 1.00 0.00 C ATOM 323 CG1 ILE A 24 5.638 -1.312 -8.094 1.00 0.00 C ATOM 324 CG2 ILE A 24 6.547 -3.612 -8.086 1.00 0.00 C ATOM 325 CD1 ILE A 24 5.591 -0.012 -8.866 1.00 0.00 C ATOM 0 H ILE A 24 8.293 -0.056 -8.659 1.00 0.00 H new ATOM 0 HA ILE A 24 7.673 -1.720 -6.379 1.00 0.00 H new ATOM 0 HB ILE A 24 7.283 -1.984 -9.336 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.775 -1.917 -8.371 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.545 -1.093 -7.030 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.731 -3.892 -8.752 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.413 -4.242 -8.288 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.234 -3.748 -7.051 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.657 0.507 -8.649 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.432 0.616 -8.572 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.650 -0.221 -9.934 1.00 0.00 H new ATOM 337 N SER A 25 9.379 -3.618 -6.641 1.00 0.00 N ATOM 338 CA SER A 25 10.261 -4.755 -6.872 1.00 0.00 C ATOM 339 C SER A 25 9.669 -6.013 -6.247 1.00 0.00 C ATOM 340 O SER A 25 9.049 -5.960 -5.187 1.00 0.00 O ATOM 341 CB SER A 25 11.654 -4.441 -6.316 1.00 0.00 C ATOM 342 OG SER A 25 12.570 -5.481 -6.593 1.00 0.00 O ATOM 0 H SER A 25 8.862 -3.655 -5.762 1.00 0.00 H new ATOM 0 HA SER A 25 10.358 -4.939 -7.942 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.018 -3.509 -6.749 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.591 -4.288 -5.239 1.00 0.00 H new ATOM 0 HG SER A 25 13.449 -5.249 -6.227 1.00 0.00 H new ATOM 348 N TYR A 26 9.883 -7.167 -6.876 1.00 0.00 N ATOM 349 CA TYR A 26 9.600 -8.466 -6.281 1.00 0.00 C ATOM 350 C TYR A 26 10.901 -9.141 -5.888 1.00 0.00 C ATOM 351 O TYR A 26 11.897 -9.074 -6.615 1.00 0.00 O ATOM 352 CB TYR A 26 8.829 -9.352 -7.259 1.00 0.00 C ATOM 353 CG TYR A 26 7.837 -8.578 -8.093 1.00 0.00 C ATOM 354 CD1 TYR A 26 6.864 -7.753 -7.492 1.00 0.00 C ATOM 355 CD2 TYR A 26 7.952 -8.625 -9.491 1.00 0.00 C ATOM 356 CE1 TYR A 26 6.066 -6.929 -8.287 1.00 0.00 C ATOM 357 CE2 TYR A 26 7.169 -7.782 -10.287 1.00 0.00 C ATOM 358 CZ TYR A 26 6.222 -6.921 -9.690 1.00 0.00 C ATOM 359 OH TYR A 26 5.483 -6.077 -10.455 1.00 0.00 O ATOM 0 H TYR A 26 10.261 -7.224 -7.822 1.00 0.00 H new ATOM 0 HA TYR A 26 8.985 -8.317 -5.394 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.535 -9.857 -7.918 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.302 -10.127 -6.702 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.737 -7.759 -6.420 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.645 -9.312 -9.953 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.324 -6.293 -7.826 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.289 -7.790 -11.360 1.00 0.00 H new ATOM 0 HH TYR A 26 5.717 -6.201 -11.399 1.00 0.00 H new ATOM 369 N CYS A 27 10.853 -9.885 -4.788 1.00 0.00 N ATOM 370 CA CYS A 27 11.943 -10.719 -4.320 1.00 0.00 C ATOM 371 C CYS A 27 11.378 -12.086 -3.952 1.00 0.00 C ATOM 372 O CYS A 27 10.162 -12.314 -4.003 1.00 0.00 O ATOM 373 CB CYS A 27 12.628 -10.061 -3.112 1.00 0.00 C ATOM 374 SG CYS A 27 14.393 -10.463 -3.197 1.00 0.00 S ATOM 0 H CYS A 27 10.031 -9.922 -4.185 1.00 0.00 H new ATOM 0 HA CYS A 27 12.693 -10.837 -5.102 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.480 -8.981 -3.129 1.00 0.00 H new ATOM 0 HB3 CYS A 27 12.196 -10.427 -2.181 1.00 0.00 H new ATOM 0 HG CYS A 27 15.011 -9.921 -2.190 1.00 0.00 H new ATOM 380 N ARG A 28 12.237 -12.997 -3.508 1.00 0.00 N ATOM 381 CA ARG A 28 11.788 -14.118 -2.703 1.00 0.00 C ATOM 382 C ARG A 28 11.243 -13.566 -1.380 1.00 0.00 C ATOM 383 O ARG A 28 11.912 -12.791 -0.699 1.00 0.00 O ATOM 384 CB ARG A 28 12.963 -15.061 -2.450 1.00 0.00 C ATOM 385 CG ARG A 28 12.494 -16.362 -1.790 1.00 0.00 C ATOM 386 CD ARG A 28 13.535 -16.879 -0.806 1.00 0.00 C ATOM 387 NE ARG A 28 14.651 -17.558 -1.480 1.00 0.00 N ATOM 388 CZ ARG A 28 15.812 -17.035 -1.895 1.00 0.00 C ATOM 389 NH1 ARG A 28 16.098 -15.744 -1.748 1.00 0.00 N ATOM 390 NH2 ARG A 28 16.720 -17.813 -2.471 1.00 0.00 N ATOM 0 H ARG A 28 13.240 -12.979 -3.692 1.00 0.00 H new ATOM 0 HA ARG A 28 11.005 -14.676 -3.216 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.461 -15.287 -3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 28 13.697 -14.569 -1.811 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.551 -16.192 -1.271 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.306 -17.115 -2.555 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.921 -16.046 -0.218 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.061 -17.569 -0.108 1.00 0.00 H new ATOM 0 HE ARG A 28 14.525 -18.555 -1.654 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.423 -15.119 -1.307 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.992 -15.379 -2.076 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.533 -18.808 -2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.605 -17.416 -2.788 1.00 0.00 H new ATOM 404 N SER A 29 10.043 -13.990 -1.011 1.00 0.00 N ATOM 405 CA SER A 29 9.491 -13.915 0.330 1.00 0.00 C ATOM 406 C SER A 29 10.280 -14.848 1.254 1.00 0.00 C ATOM 407 O SER A 29 10.332 -16.048 0.985 1.00 0.00 O ATOM 408 CB SER A 29 8.026 -14.362 0.239 1.00 0.00 C ATOM 409 OG SER A 29 7.830 -15.355 -0.774 1.00 0.00 O ATOM 0 H SER A 29 9.397 -14.417 -1.674 1.00 0.00 H new ATOM 0 HA SER A 29 9.554 -12.904 0.733 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.708 -14.760 1.203 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.396 -13.498 0.027 1.00 0.00 H new ATOM 0 HG SER A 29 6.885 -15.615 -0.799 1.00 0.00 H new ATOM 415 N SER A 30 10.925 -14.343 2.306 1.00 0.00 N ATOM 416 CA SER A 30 11.658 -15.136 3.296 1.00 0.00 C ATOM 417 C SER A 30 12.086 -14.250 4.473 1.00 0.00 C ATOM 418 O SER A 30 13.250 -14.264 4.893 1.00 0.00 O ATOM 419 CB SER A 30 12.849 -15.829 2.615 1.00 0.00 C ATOM 420 OG SER A 30 12.451 -17.117 2.175 1.00 0.00 O ATOM 0 H SER A 30 10.953 -13.342 2.499 1.00 0.00 H new ATOM 0 HA SER A 30 11.013 -15.914 3.705 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.196 -15.234 1.770 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.684 -15.911 3.311 1.00 0.00 H new ATOM 0 HG SER A 30 11.685 -17.034 1.569 1.00 0.00 H new ATOM 426 N GLY A 31 11.151 -13.459 5.001 1.00 0.00 N ATOM 427 CA GLY A 31 11.395 -12.592 6.148 1.00 0.00 C ATOM 428 C GLY A 31 11.913 -13.389 7.352 1.00 0.00 C ATOM 429 O GLY A 31 11.535 -14.550 7.508 1.00 0.00 O ATOM 0 H GLY A 31 10.198 -13.404 4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.121 -11.825 5.878 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.473 -12.077 6.420 1.00 0.00 H new ATOM 433 N PRO A 32 12.766 -12.802 8.209 1.00 0.00 N ATOM 434 CA PRO A 32 13.353 -13.493 9.349 1.00 0.00 C ATOM 435 C PRO A 32 12.276 -13.813 10.392 1.00 0.00 C ATOM 436 O PRO A 32 11.860 -12.948 11.168 1.00 0.00 O ATOM 437 CB PRO A 32 14.446 -12.564 9.883 1.00 0.00 C ATOM 438 CG PRO A 32 13.956 -11.179 9.470 1.00 0.00 C ATOM 439 CD PRO A 32 13.207 -11.417 8.164 1.00 0.00 C ATOM 0 HA PRO A 32 13.785 -14.456 9.077 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.553 -12.648 10.964 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.418 -12.794 9.448 1.00 0.00 H new ATOM 0 HG2 PRO A 32 13.304 -10.745 10.229 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.788 -10.488 9.331 1.00 0.00 H new ATOM 0 HD2 PRO A 32 12.359 -10.739 8.070 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.853 -11.240 7.304 1.00 0.00 H new ATOM 447 N GLY A 33 11.812 -15.060 10.394 1.00 0.00 N ATOM 448 CA GLY A 33 10.740 -15.544 11.244 1.00 0.00 C ATOM 449 C GLY A 33 9.510 -15.938 10.434 1.00 0.00 C ATOM 450 O GLY A 33 8.500 -16.287 11.049 1.00 0.00 O ATOM 0 H GLY A 33 12.189 -15.783 9.780 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.089 -16.404 11.816 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.469 -14.771 11.963 1.00 0.00 H new ATOM 454 N GLY A 34 9.549 -15.850 9.100 1.00 0.00 N ATOM 455 CA GLY A 34 8.467 -16.254 8.219 1.00 0.00 C ATOM 456 C GLY A 34 8.897 -17.358 7.301 1.00 0.00 C ATOM 457 O GLY A 34 10.049 -17.439 6.870 1.00 0.00 O ATOM 0 H GLY A 34 10.359 -15.485 8.598 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.615 -16.583 8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.134 -15.398 7.632 1.00 0.00 H new ATOM 461 N GLN A 35 7.918 -18.201 7.014 1.00 0.00 N ATOM 462 CA GLN A 35 8.084 -19.480 6.393 1.00 0.00 C ATOM 463 C GLN A 35 6.916 -19.673 5.421 1.00 0.00 C ATOM 464 O GLN A 35 6.486 -18.713 4.780 1.00 0.00 O ATOM 465 CB GLN A 35 8.182 -20.550 7.482 1.00 0.00 C ATOM 466 CG GLN A 35 9.413 -20.410 8.404 1.00 0.00 C ATOM 467 CD GLN A 35 10.066 -21.749 8.737 1.00 0.00 C ATOM 468 OE1 GLN A 35 10.465 -22.485 7.834 1.00 0.00 O ATOM 469 NE2 GLN A 35 10.212 -22.094 10.002 1.00 0.00 N ATOM 0 H GLN A 35 6.942 -17.989 7.223 1.00 0.00 H new ATOM 0 HA GLN A 35 9.005 -19.557 5.815 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.280 -20.514 8.093 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.207 -21.532 7.009 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.148 -19.764 7.924 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.113 -19.919 9.329 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.877 -21.476 10.741 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.660 -22.979 10.241 1.00 0.00 H new ATOM 478 N ASN A 36 6.433 -20.908 5.262 1.00 0.00 N ATOM 479 CA ASN A 36 5.339 -21.332 4.376 1.00 0.00 C ATOM 480 C ASN A 36 5.679 -21.111 2.902 1.00 0.00 C ATOM 481 O ASN A 36 4.830 -21.184 2.010 1.00 0.00 O ATOM 482 CB ASN A 36 4.016 -20.708 4.833 1.00 0.00 C ATOM 483 CG ASN A 36 3.702 -21.257 6.207 1.00 0.00 C ATOM 484 OD1 ASN A 36 3.113 -22.321 6.336 1.00 0.00 O ATOM 485 ND2 ASN A 36 4.203 -20.623 7.252 1.00 0.00 N ATOM 0 H ASN A 36 6.821 -21.694 5.784 1.00 0.00 H new ATOM 0 HA ASN A 36 5.206 -22.411 4.457 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.096 -19.621 4.864 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.217 -20.949 4.132 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.102 -21.020 8.186 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.691 -19.736 7.125 1.00 0.00 H new ATOM 492 N VAL A 37 6.971 -20.933 2.652 1.00 0.00 N ATOM 493 CA VAL A 37 7.677 -20.690 1.409 1.00 0.00 C ATOM 494 C VAL A 37 7.707 -21.942 0.499 1.00 0.00 C ATOM 495 O VAL A 37 8.484 -22.019 -0.458 1.00 0.00 O ATOM 496 CB VAL A 37 9.094 -20.147 1.759 1.00 0.00 C ATOM 497 CG1 VAL A 37 9.384 -18.946 0.855 1.00 0.00 C ATOM 498 CG2 VAL A 37 9.315 -19.679 3.227 1.00 0.00 C ATOM 0 H VAL A 37 7.633 -20.961 3.427 1.00 0.00 H new ATOM 0 HA VAL A 37 7.149 -19.941 0.819 1.00 0.00 H new ATOM 0 HB VAL A 37 9.761 -20.996 1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.373 -18.549 1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.351 -19.260 -0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.635 -18.173 1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.339 -19.323 3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.621 -18.871 3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.140 -20.514 3.905 1.00 0.00 H new ATOM 508 N ASN A 38 6.884 -22.949 0.816 1.00 0.00 N ATOM 509 CA ASN A 38 6.742 -24.243 0.158 1.00 0.00 C ATOM 510 C ASN A 38 6.128 -24.013 -1.219 1.00 0.00 C ATOM 511 O ASN A 38 6.834 -23.758 -2.192 1.00 0.00 O ATOM 512 CB ASN A 38 5.880 -25.192 1.021 1.00 0.00 C ATOM 513 CG ASN A 38 6.608 -25.679 2.267 1.00 0.00 C ATOM 514 OD1 ASN A 38 7.123 -24.875 3.033 1.00 0.00 O ATOM 515 ND2 ASN A 38 6.665 -26.974 2.517 1.00 0.00 N ATOM 0 H ASN A 38 6.248 -22.867 1.609 1.00 0.00 H new ATOM 0 HA ASN A 38 7.714 -24.721 0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.966 -24.677 1.317 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.581 -26.051 0.421 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.141 -27.311 3.354 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.233 -27.637 1.873 1.00 0.00 H new ATOM 522 N LYS A 39 4.797 -24.023 -1.314 1.00 0.00 N ATOM 523 CA LYS A 39 4.048 -23.778 -2.550 1.00 0.00 C ATOM 524 C LYS A 39 3.804 -22.282 -2.776 1.00 0.00 C ATOM 525 O LYS A 39 2.963 -21.923 -3.602 1.00 0.00 O ATOM 526 CB LYS A 39 2.722 -24.553 -2.490 1.00 0.00 C ATOM 527 CG LYS A 39 2.887 -26.077 -2.498 1.00 0.00 C ATOM 528 CD LYS A 39 3.077 -26.663 -3.905 1.00 0.00 C ATOM 529 CE LYS A 39 3.005 -28.196 -3.825 1.00 0.00 C ATOM 530 NZ LYS A 39 3.267 -28.852 -5.125 1.00 0.00 N ATOM 0 H LYS A 39 4.193 -24.207 -0.513 1.00 0.00 H new ATOM 0 HA LYS A 39 4.637 -24.129 -3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.184 -24.261 -1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.104 -24.261 -3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.745 -26.345 -1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.010 -26.532 -2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.307 -26.285 -4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.038 -26.353 -4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.729 -28.551 -3.092 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.018 -28.490 -3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.205 -29.884 -5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.561 -28.537 -5.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.219 -28.596 -5.457 1.00 0.00 H new ATOM 544 N VAL A 40 4.455 -21.398 -2.022 1.00 0.00 N ATOM 545 CA VAL A 40 4.390 -19.958 -2.247 1.00 0.00 C ATOM 546 C VAL A 40 5.813 -19.438 -2.380 1.00 0.00 C ATOM 547 O VAL A 40 6.722 -19.838 -1.655 1.00 0.00 O ATOM 548 CB VAL A 40 3.579 -19.219 -1.159 1.00 0.00 C ATOM 549 CG1 VAL A 40 3.459 -17.717 -1.481 1.00 0.00 C ATOM 550 CG2 VAL A 40 2.145 -19.760 -1.069 1.00 0.00 C ATOM 0 H VAL A 40 5.045 -21.664 -1.234 1.00 0.00 H new ATOM 0 HA VAL A 40 3.845 -19.758 -3.170 1.00 0.00 H new ATOM 0 HB VAL A 40 4.113 -19.377 -0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.883 -17.222 -0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.454 -17.276 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.954 -17.589 -2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.600 -19.220 -0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.644 -19.624 -2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.171 -20.821 -0.821 1.00 0.00 H new ATOM 560 N ASN A 41 5.983 -18.561 -3.356 1.00 0.00 N ATOM 561 CA ASN A 41 7.108 -17.689 -3.625 1.00 0.00 C ATOM 562 C ASN A 41 6.448 -16.445 -4.208 1.00 0.00 C ATOM 563 O ASN A 41 5.480 -16.607 -4.959 1.00 0.00 O ATOM 564 CB ASN A 41 8.088 -18.309 -4.641 1.00 0.00 C ATOM 565 CG ASN A 41 7.412 -18.864 -5.896 1.00 0.00 C ATOM 566 OD1 ASN A 41 7.202 -18.174 -6.889 1.00 0.00 O ATOM 567 ND2 ASN A 41 7.002 -20.123 -5.870 1.00 0.00 N ATOM 0 H ASN A 41 5.252 -18.431 -4.055 1.00 0.00 H new ATOM 0 HA ASN A 41 7.705 -17.493 -2.734 1.00 0.00 H new ATOM 0 HB2 ASN A 41 8.816 -17.553 -4.936 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.642 -19.111 -4.154 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.513 -20.517 -6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.175 -20.699 -5.046 1.00 0.00 H new ATOM 574 N SER A 42 6.942 -15.265 -3.820 1.00 0.00 N ATOM 575 CA SER A 42 6.627 -13.898 -4.254 1.00 0.00 C ATOM 576 C SER A 42 6.540 -12.965 -3.044 1.00 0.00 C ATOM 577 O SER A 42 5.584 -13.026 -2.271 1.00 0.00 O ATOM 578 CB SER A 42 5.350 -13.782 -5.089 1.00 0.00 C ATOM 579 OG SER A 42 5.560 -14.225 -6.416 1.00 0.00 O ATOM 0 H SER A 42 7.666 -15.243 -3.101 1.00 0.00 H new ATOM 0 HA SER A 42 7.446 -13.601 -4.908 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.557 -14.371 -4.628 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.012 -12.746 -5.099 1.00 0.00 H new ATOM 0 HG SER A 42 4.708 -14.516 -6.802 1.00 0.00 H new ATOM 585 N LYS A 43 7.535 -12.088 -2.897 1.00 0.00 N ATOM 586 CA LYS A 43 7.404 -10.824 -2.178 1.00 0.00 C ATOM 587 C LYS A 43 6.949 -9.753 -3.166 1.00 0.00 C ATOM 588 O LYS A 43 7.193 -9.871 -4.369 1.00 0.00 O ATOM 589 CB LYS A 43 8.736 -10.452 -1.497 1.00 0.00 C ATOM 590 CG LYS A 43 8.702 -9.120 -0.720 1.00 0.00 C ATOM 591 CD LYS A 43 10.030 -8.813 -0.029 1.00 0.00 C ATOM 592 CE LYS A 43 10.532 -7.411 -0.384 1.00 0.00 C ATOM 593 NZ LYS A 43 11.849 -7.070 0.195 1.00 0.00 N ATOM 0 H LYS A 43 8.468 -12.240 -3.281 1.00 0.00 H new ATOM 0 HA LYS A 43 6.660 -10.912 -1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.016 -11.252 -0.811 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.516 -10.396 -2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.457 -8.309 -1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.908 -9.158 0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.908 -8.895 1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.774 -9.553 -0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.592 -7.323 -1.469 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.799 -6.679 -0.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.123 -6.113 -0.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.791 -7.103 1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.560 -7.754 -0.134 1.00 0.00 H new ATOM 607 N ALA A 44 6.341 -8.687 -2.661 1.00 0.00 N ATOM 608 CA ALA A 44 6.202 -7.416 -3.355 1.00 0.00 C ATOM 609 C ALA A 44 6.712 -6.359 -2.392 1.00 0.00 C ATOM 610 O ALA A 44 6.347 -6.354 -1.217 1.00 0.00 O ATOM 611 CB ALA A 44 4.752 -7.142 -3.744 1.00 0.00 C ATOM 0 H ALA A 44 5.920 -8.684 -1.732 1.00 0.00 H new ATOM 0 HA ALA A 44 6.767 -7.418 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.689 -6.184 -4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.396 -7.934 -4.403 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.134 -7.112 -2.847 1.00 0.00 H new ATOM 617 N GLU A 45 7.572 -5.488 -2.888 1.00 0.00 N ATOM 618 CA GLU A 45 8.066 -4.291 -2.253 1.00 0.00 C ATOM 619 C GLU A 45 7.630 -3.133 -3.142 1.00 0.00 C ATOM 620 O GLU A 45 7.519 -3.275 -4.364 1.00 0.00 O ATOM 621 CB GLU A 45 9.591 -4.395 -2.150 1.00 0.00 C ATOM 622 CG GLU A 45 10.273 -3.216 -1.454 1.00 0.00 C ATOM 623 CD GLU A 45 11.787 -3.375 -1.524 1.00 0.00 C ATOM 624 OE1 GLU A 45 12.310 -4.305 -0.857 1.00 0.00 O ATOM 625 OE2 GLU A 45 12.410 -2.604 -2.287 1.00 0.00 O ATOM 0 H GLU A 45 7.971 -5.614 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 45 7.679 -4.146 -1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.842 -5.310 -1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.002 -4.492 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.975 -2.281 -1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.952 -3.162 -0.414 1.00 0.00 H new ATOM 632 N VAL A 46 7.408 -1.985 -2.522 1.00 0.00 N ATOM 633 CA VAL A 46 7.223 -0.712 -3.180 1.00 0.00 C ATOM 634 C VAL A 46 8.070 0.270 -2.397 1.00 0.00 C ATOM 635 O VAL A 46 8.005 0.306 -1.167 1.00 0.00 O ATOM 636 CB VAL A 46 5.738 -0.311 -3.204 1.00 0.00 C ATOM 637 CG1 VAL A 46 5.530 1.058 -3.857 1.00 0.00 C ATOM 638 CG2 VAL A 46 4.928 -1.324 -4.010 1.00 0.00 C ATOM 0 H VAL A 46 7.350 -1.918 -1.506 1.00 0.00 H new ATOM 0 HA VAL A 46 7.527 -0.742 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 46 5.407 -0.278 -2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.468 1.305 -3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.080 1.815 -3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.894 1.030 -4.884 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.879 -1.027 -4.018 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.303 -1.359 -5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.023 -2.310 -3.555 1.00 0.00 H new ATOM 648 N ARG A 47 8.842 1.071 -3.120 1.00 0.00 N ATOM 649 CA ARG A 47 9.530 2.231 -2.599 1.00 0.00 C ATOM 650 C ARG A 47 9.051 3.446 -3.383 1.00 0.00 C ATOM 651 O ARG A 47 8.748 3.303 -4.565 1.00 0.00 O ATOM 652 CB ARG A 47 11.043 1.988 -2.689 1.00 0.00 C ATOM 653 CG ARG A 47 11.879 3.247 -2.465 1.00 0.00 C ATOM 654 CD ARG A 47 13.364 2.911 -2.287 1.00 0.00 C ATOM 655 NE ARG A 47 13.885 2.141 -3.427 1.00 0.00 N ATOM 656 CZ ARG A 47 14.168 2.604 -4.650 1.00 0.00 C ATOM 657 NH1 ARG A 47 14.079 3.896 -4.955 1.00 0.00 N ATOM 658 NH2 ARG A 47 14.502 1.746 -5.600 1.00 0.00 N ATOM 0 H ARG A 47 9.008 0.921 -4.115 1.00 0.00 H new ATOM 0 HA ARG A 47 9.310 2.415 -1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.327 1.238 -1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.279 1.575 -3.670 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.757 3.922 -3.312 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.516 3.774 -1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.936 3.833 -2.178 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.501 2.340 -1.369 1.00 0.00 H new ATOM 0 HE ARG A 47 14.048 1.147 -3.268 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.787 4.569 -4.246 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.303 4.214 -5.898 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.541 0.748 -5.395 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.721 2.083 -6.538 1.00 0.00 H new ATOM 672 N PHE A 48 8.964 4.622 -2.772 1.00 0.00 N ATOM 673 CA PHE A 48 8.898 5.889 -3.495 1.00 0.00 C ATOM 674 C PHE A 48 9.556 6.980 -2.651 1.00 0.00 C ATOM 675 O PHE A 48 9.479 6.935 -1.420 1.00 0.00 O ATOM 676 CB PHE A 48 7.442 6.222 -3.867 1.00 0.00 C ATOM 677 CG PHE A 48 6.416 6.139 -2.746 1.00 0.00 C ATOM 678 CD1 PHE A 48 6.131 7.277 -1.973 1.00 0.00 C ATOM 679 CD2 PHE A 48 5.716 4.941 -2.497 1.00 0.00 C ATOM 680 CE1 PHE A 48 5.172 7.214 -0.946 1.00 0.00 C ATOM 681 CE2 PHE A 48 4.748 4.877 -1.476 1.00 0.00 C ATOM 682 CZ PHE A 48 4.480 6.017 -0.698 1.00 0.00 C ATOM 0 H PHE A 48 8.937 4.725 -1.758 1.00 0.00 H new ATOM 0 HA PHE A 48 9.446 5.816 -4.434 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.418 7.232 -4.277 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.131 5.547 -4.664 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.650 8.204 -2.168 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.924 4.065 -3.094 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.967 8.089 -0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.214 3.957 -1.292 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.743 5.972 0.090 1.00 0.00 H new ATOM 692 N HIS A 49 10.175 7.986 -3.276 1.00 0.00 N ATOM 693 CA HIS A 49 10.570 9.209 -2.593 1.00 0.00 C ATOM 694 C HIS A 49 9.325 10.013 -2.273 1.00 0.00 C ATOM 695 O HIS A 49 8.819 10.778 -3.084 1.00 0.00 O ATOM 696 CB HIS A 49 11.613 9.996 -3.394 1.00 0.00 C ATOM 697 CG HIS A 49 12.204 11.154 -2.625 1.00 0.00 C ATOM 698 ND1 HIS A 49 12.605 12.355 -3.160 1.00 0.00 N ATOM 699 CD2 HIS A 49 12.361 11.238 -1.267 1.00 0.00 C ATOM 700 CE1 HIS A 49 12.912 13.169 -2.138 1.00 0.00 C ATOM 701 NE2 HIS A 49 12.790 12.529 -0.962 1.00 0.00 N ATOM 0 H HIS A 49 10.413 7.970 -4.268 1.00 0.00 H new ATOM 0 HA HIS A 49 11.066 8.964 -1.654 1.00 0.00 H new ATOM 0 HB2 HIS A 49 12.415 9.322 -3.696 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.152 10.372 -4.307 1.00 0.00 H new ATOM 0 HD2 HIS A 49 12.184 10.444 -0.557 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.216 14.200 -2.246 1.00 0.00 H new ATOM 0 HE2 HIS A 49 12.974 12.911 -0.034 1.00 0.00 H new ATOM 709 N LEU A 50 8.854 9.844 -1.040 1.00 0.00 N ATOM 710 CA LEU A 50 7.637 10.419 -0.499 1.00 0.00 C ATOM 711 C LEU A 50 7.606 11.921 -0.753 1.00 0.00 C ATOM 712 O LEU A 50 6.587 12.451 -1.194 1.00 0.00 O ATOM 713 CB LEU A 50 7.584 10.008 0.984 1.00 0.00 C ATOM 714 CG LEU A 50 6.652 10.788 1.917 1.00 0.00 C ATOM 715 CD1 LEU A 50 7.155 12.211 2.166 1.00 0.00 C ATOM 716 CD2 LEU A 50 5.198 10.743 1.450 1.00 0.00 C ATOM 0 H LEU A 50 9.344 9.267 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 50 6.735 10.048 -0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.297 8.957 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.595 10.080 1.386 1.00 0.00 H new ATOM 0 HG LEU A 50 6.671 10.284 2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.465 12.729 2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.143 12.173 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.216 12.747 1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.576 11.310 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.122 11.179 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.857 9.708 1.420 1.00 0.00 H new ATOM 728 N ALA A 51 8.730 12.605 -0.514 1.00 0.00 N ATOM 729 CA ALA A 51 8.819 14.055 -0.637 1.00 0.00 C ATOM 730 C ALA A 51 8.539 14.537 -2.060 1.00 0.00 C ATOM 731 O ALA A 51 8.212 15.699 -2.276 1.00 0.00 O ATOM 732 CB ALA A 51 10.210 14.500 -0.212 1.00 0.00 C ATOM 0 H ALA A 51 9.604 12.163 -0.229 1.00 0.00 H new ATOM 0 HA ALA A 51 8.058 14.494 0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.288 15.584 -0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.386 14.206 0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.955 14.029 -0.854 1.00 0.00 H new ATOM 738 N SER A 52 8.655 13.634 -3.022 1.00 0.00 N ATOM 739 CA SER A 52 8.589 13.848 -4.447 1.00 0.00 C ATOM 740 C SER A 52 7.513 12.939 -5.052 1.00 0.00 C ATOM 741 O SER A 52 7.525 12.727 -6.264 1.00 0.00 O ATOM 742 CB SER A 52 9.995 13.553 -4.978 1.00 0.00 C ATOM 743 OG SER A 52 10.457 14.553 -5.847 1.00 0.00 O ATOM 0 H SER A 52 8.811 12.651 -2.799 1.00 0.00 H new ATOM 0 HA SER A 52 8.304 14.865 -4.716 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.685 13.456 -4.140 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.991 12.596 -5.499 1.00 0.00 H new ATOM 0 HG SER A 52 11.357 14.324 -6.160 1.00 0.00 H new ATOM 749 N ALA A 53 6.612 12.376 -4.226 1.00 0.00 N ATOM 750 CA ALA A 53 5.556 11.496 -4.703 1.00 0.00 C ATOM 751 C ALA A 53 4.699 12.260 -5.707 1.00 0.00 C ATOM 752 O ALA A 53 4.543 11.815 -6.838 1.00 0.00 O ATOM 753 CB ALA A 53 4.733 10.965 -3.528 1.00 0.00 C ATOM 0 H ALA A 53 6.604 12.524 -3.217 1.00 0.00 H new ATOM 0 HA ALA A 53 5.984 10.628 -5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.947 10.308 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.381 10.407 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.283 11.801 -2.992 1.00 0.00 H new ATOM 759 N ASP A 54 4.177 13.424 -5.297 1.00 0.00 N ATOM 760 CA ASP A 54 3.591 14.474 -6.148 1.00 0.00 C ATOM 761 C ASP A 54 2.144 14.151 -6.548 1.00 0.00 C ATOM 762 O ASP A 54 1.319 15.043 -6.737 1.00 0.00 O ATOM 763 CB ASP A 54 4.492 14.723 -7.372 1.00 0.00 C ATOM 764 CG ASP A 54 4.416 16.119 -7.981 1.00 0.00 C ATOM 765 OD1 ASP A 54 3.843 17.048 -7.364 1.00 0.00 O ATOM 766 OD2 ASP A 54 5.065 16.286 -9.042 1.00 0.00 O ATOM 0 H ASP A 54 4.150 13.674 -4.309 1.00 0.00 H new ATOM 0 HA ASP A 54 3.542 15.396 -5.569 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.525 14.529 -7.084 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.234 13.997 -8.143 1.00 0.00 H new ATOM 771 N TRP A 55 1.782 12.865 -6.575 1.00 0.00 N ATOM 772 CA TRP A 55 0.404 12.380 -6.486 1.00 0.00 C ATOM 773 C TRP A 55 -0.086 12.313 -5.027 1.00 0.00 C ATOM 774 O TRP A 55 -1.268 12.040 -4.800 1.00 0.00 O ATOM 775 CB TRP A 55 0.297 11.024 -7.204 1.00 0.00 C ATOM 776 CG TRP A 55 1.272 9.990 -6.737 1.00 0.00 C ATOM 777 CD1 TRP A 55 2.532 9.839 -7.196 1.00 0.00 C ATOM 778 CD2 TRP A 55 1.132 9.037 -5.647 1.00 0.00 C ATOM 779 NE1 TRP A 55 3.209 8.928 -6.411 1.00 0.00 N ATOM 780 CE2 TRP A 55 2.403 8.436 -5.408 1.00 0.00 C ATOM 781 CE3 TRP A 55 0.072 8.666 -4.799 1.00 0.00 C ATOM 782 CZ2 TRP A 55 2.630 7.577 -4.323 1.00 0.00 C ATOM 783 CZ3 TRP A 55 0.277 7.751 -3.754 1.00 0.00 C ATOM 784 CH2 TRP A 55 1.554 7.224 -3.497 1.00 0.00 C ATOM 0 H TRP A 55 2.462 12.110 -6.662 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.257 13.088 -6.986 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -0.713 10.637 -7.072 1.00 0.00 H new ATOM 0 HB3 TRP A 55 0.440 11.182 -8.273 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.948 10.354 -8.049 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.181 8.654 -6.555 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.909 9.090 -4.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.620 7.193 -4.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.558 7.448 -3.140 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.706 6.550 -2.667 1.00 0.00 H new ATOM 795 N ILE A 56 0.782 12.582 -4.044 1.00 0.00 N ATOM 796 CA ILE A 56 0.415 12.776 -2.633 1.00 0.00 C ATOM 797 C ILE A 56 0.388 14.274 -2.335 1.00 0.00 C ATOM 798 O ILE A 56 1.327 14.998 -2.663 1.00 0.00 O ATOM 799 CB ILE A 56 1.404 12.055 -1.678 1.00 0.00 C ATOM 800 CG1 ILE A 56 1.518 10.548 -1.992 1.00 0.00 C ATOM 801 CG2 ILE A 56 0.997 12.224 -0.200 1.00 0.00 C ATOM 802 CD1 ILE A 56 2.548 9.815 -1.118 1.00 0.00 C ATOM 0 H ILE A 56 1.784 12.673 -4.210 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.570 12.340 -2.464 1.00 0.00 H new ATOM 0 HB ILE A 56 2.373 12.526 -1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.542 10.082 -1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.789 10.423 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.714 11.705 0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.985 13.284 0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.004 11.803 -0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.575 8.761 -1.394 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.534 10.255 -1.271 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.267 9.909 -0.069 1.00 0.00 H new ATOM 814 N GLU A 57 -0.680 14.680 -1.655 1.00 0.00 N ATOM 815 CA GLU A 57 -0.940 15.993 -1.086 1.00 0.00 C ATOM 816 C GLU A 57 0.159 16.397 -0.114 1.00 0.00 C ATOM 817 O GLU A 57 0.554 15.606 0.737 1.00 0.00 O ATOM 818 CB GLU A 57 -2.305 15.970 -0.371 1.00 0.00 C ATOM 819 CG GLU A 57 -3.377 15.211 -1.130 1.00 0.00 C ATOM 820 CD GLU A 57 -4.804 15.513 -0.660 1.00 0.00 C ATOM 821 OE1 GLU A 57 -5.141 16.692 -0.421 1.00 0.00 O ATOM 822 OE2 GLU A 57 -5.608 14.554 -0.599 1.00 0.00 O ATOM 0 H GLU A 57 -1.453 14.039 -1.474 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.957 16.729 -1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.182 15.520 0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.640 16.995 -0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.296 15.451 -2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.191 14.142 -1.030 1.00 0.00 H new ATOM 829 N GLU A 58 0.554 17.667 -0.148 1.00 0.00 N ATOM 830 CA GLU A 58 1.356 18.337 0.868 1.00 0.00 C ATOM 831 C GLU A 58 1.084 17.883 2.303 1.00 0.00 C ATOM 832 O GLU A 58 2.049 17.546 3.005 1.00 0.00 O ATOM 833 CB GLU A 58 1.099 19.848 0.803 1.00 0.00 C ATOM 834 CG GLU A 58 2.346 20.655 0.470 1.00 0.00 C ATOM 835 CD GLU A 58 2.409 21.138 -0.987 1.00 0.00 C ATOM 836 OE1 GLU A 58 1.364 21.482 -1.588 1.00 0.00 O ATOM 837 OE2 GLU A 58 3.537 21.162 -1.532 1.00 0.00 O ATOM 0 H GLU A 58 0.311 18.285 -0.922 1.00 0.00 H new ATOM 0 HA GLU A 58 2.389 18.074 0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.334 20.048 0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.702 20.184 1.761 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.393 21.520 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.226 20.047 0.678 1.00 0.00 H new ATOM 844 N PRO A 59 -0.175 17.919 2.789 1.00 0.00 N ATOM 845 CA PRO A 59 -0.402 17.642 4.189 1.00 0.00 C ATOM 846 C PRO A 59 -0.057 16.192 4.511 1.00 0.00 C ATOM 847 O PRO A 59 0.525 15.887 5.558 1.00 0.00 O ATOM 848 CB PRO A 59 -1.879 17.947 4.463 1.00 0.00 C ATOM 849 CG PRO A 59 -2.554 18.113 3.101 1.00 0.00 C ATOM 850 CD PRO A 59 -1.419 18.247 2.091 1.00 0.00 C ATOM 0 HA PRO A 59 0.235 18.257 4.825 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.343 17.139 5.029 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.983 18.854 5.059 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.185 17.255 2.869 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.196 18.994 3.087 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.575 17.575 1.247 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.379 19.260 1.690 1.00 0.00 H new ATOM 858 N VAL A 60 -0.389 15.314 3.572 1.00 0.00 N ATOM 859 CA VAL A 60 -0.252 13.886 3.680 1.00 0.00 C ATOM 860 C VAL A 60 1.228 13.524 3.578 1.00 0.00 C ATOM 861 O VAL A 60 1.708 12.724 4.383 1.00 0.00 O ATOM 862 CB VAL A 60 -1.129 13.265 2.581 1.00 0.00 C ATOM 863 CG1 VAL A 60 -1.039 11.748 2.589 1.00 0.00 C ATOM 864 CG2 VAL A 60 -2.600 13.649 2.774 1.00 0.00 C ATOM 0 H VAL A 60 -0.779 15.604 2.675 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.591 13.493 4.638 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.759 13.651 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.671 11.342 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.006 11.444 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.375 11.369 3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.200 13.198 1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.946 13.289 3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.701 14.733 2.732 1.00 0.00 H new ATOM 874 N ARG A 61 1.977 14.139 2.649 1.00 0.00 N ATOM 875 CA ARG A 61 3.402 13.874 2.469 1.00 0.00 C ATOM 876 C ARG A 61 4.105 13.997 3.809 1.00 0.00 C ATOM 877 O ARG A 61 4.710 13.040 4.295 1.00 0.00 O ATOM 878 CB ARG A 61 4.068 14.802 1.429 1.00 0.00 C ATOM 879 CG ARG A 61 3.707 14.464 -0.022 1.00 0.00 C ATOM 880 CD ARG A 61 4.644 15.115 -1.046 1.00 0.00 C ATOM 881 NE ARG A 61 4.460 16.572 -1.119 1.00 0.00 N ATOM 882 CZ ARG A 61 4.959 17.363 -2.078 1.00 0.00 C ATOM 883 NH1 ARG A 61 5.763 16.875 -3.012 1.00 0.00 N ATOM 884 NH2 ARG A 61 4.672 18.654 -2.131 1.00 0.00 N ATOM 0 H ARG A 61 1.605 14.835 2.003 1.00 0.00 H new ATOM 0 HA ARG A 61 3.498 12.861 2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.777 15.832 1.636 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.150 14.747 1.547 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.732 13.382 -0.153 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.684 14.786 -0.219 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.678 14.894 -0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.466 14.678 -2.029 1.00 0.00 H new ATOM 0 HE ARG A 61 3.910 17.014 -0.383 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.009 15.885 -3.007 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.135 17.489 -3.736 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.057 19.069 -1.431 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.066 19.234 -2.872 1.00 0.00 H new ATOM 898 N GLN A 62 3.984 15.169 4.425 1.00 0.00 N ATOM 899 CA GLN A 62 4.718 15.450 5.644 1.00 0.00 C ATOM 900 C GLN A 62 4.161 14.676 6.837 1.00 0.00 C ATOM 901 O GLN A 62 4.895 14.497 7.802 1.00 0.00 O ATOM 902 CB GLN A 62 4.847 16.959 5.870 1.00 0.00 C ATOM 903 CG GLN A 62 3.564 17.612 6.346 1.00 0.00 C ATOM 904 CD GLN A 62 3.634 19.108 6.075 1.00 0.00 C ATOM 905 OE1 GLN A 62 4.142 19.875 6.891 1.00 0.00 O ATOM 906 NE2 GLN A 62 3.188 19.520 4.905 1.00 0.00 N ATOM 0 H GLN A 62 3.389 15.931 4.100 1.00 0.00 H new ATOM 0 HA GLN A 62 5.737 15.081 5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.632 17.143 6.603 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.162 17.432 4.940 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.707 17.177 5.831 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.422 17.429 7.411 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.773 18.854 4.254 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.258 20.505 4.651 1.00 0.00 H new ATOM 915 N LYS A 63 2.930 14.147 6.788 1.00 0.00 N ATOM 916 CA LYS A 63 2.506 13.151 7.758 1.00 0.00 C ATOM 917 C LYS A 63 3.401 11.914 7.637 1.00 0.00 C ATOM 918 O LYS A 63 4.191 11.654 8.528 1.00 0.00 O ATOM 919 CB LYS A 63 1.027 12.797 7.577 1.00 0.00 C ATOM 920 CG LYS A 63 0.189 12.984 8.847 1.00 0.00 C ATOM 921 CD LYS A 63 -0.473 14.370 8.934 1.00 0.00 C ATOM 922 CE LYS A 63 -1.526 14.352 10.055 1.00 0.00 C ATOM 923 NZ LYS A 63 -2.865 14.819 9.621 1.00 0.00 N ATOM 0 H LYS A 63 2.225 14.394 6.093 1.00 0.00 H new ATOM 0 HA LYS A 63 2.610 13.562 8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.609 13.415 6.782 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.948 11.760 7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.584 12.216 8.882 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.825 12.836 9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.278 15.134 9.135 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.940 14.625 7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.613 13.337 10.444 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.180 14.980 10.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.563 14.608 10.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.837 15.845 9.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.135 14.332 8.743 1.00 0.00 H new ATOM 937 N ILE A 64 3.360 11.168 6.529 1.00 0.00 N ATOM 938 CA ILE A 64 4.139 9.967 6.234 1.00 0.00 C ATOM 939 C ILE A 64 5.637 10.199 6.512 1.00 0.00 C ATOM 940 O ILE A 64 6.303 9.294 7.019 1.00 0.00 O ATOM 941 CB ILE A 64 3.785 9.510 4.793 1.00 0.00 C ATOM 942 CG1 ILE A 64 2.415 8.787 4.687 1.00 0.00 C ATOM 943 CG2 ILE A 64 4.800 8.529 4.209 1.00 0.00 C ATOM 944 CD1 ILE A 64 1.240 9.686 4.348 1.00 0.00 C ATOM 0 H ILE A 64 2.735 11.408 5.760 1.00 0.00 H new ATOM 0 HA ILE A 64 3.882 9.142 6.898 1.00 0.00 H new ATOM 0 HB ILE A 64 3.773 10.450 4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.489 8.009 3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.210 8.288 5.634 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.496 8.248 3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.782 9.000 4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.847 7.638 4.835 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.329 9.090 4.296 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.131 10.449 5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.415 10.166 3.385 1.00 0.00 H new ATOM 956 N ALA A 65 6.160 11.405 6.270 1.00 0.00 N ATOM 957 CA ALA A 65 7.547 11.783 6.524 1.00 0.00 C ATOM 958 C ALA A 65 7.950 11.566 7.988 1.00 0.00 C ATOM 959 O ALA A 65 9.114 11.272 8.301 1.00 0.00 O ATOM 960 CB ALA A 65 7.716 13.257 6.159 1.00 0.00 C ATOM 0 H ALA A 65 5.608 12.168 5.879 1.00 0.00 H new ATOM 0 HA ALA A 65 8.194 11.150 5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.747 13.561 6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.476 13.401 5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.046 13.862 6.769 1.00 0.00 H new ATOM 966 N LEU A 66 6.997 11.813 8.883 1.00 0.00 N ATOM 967 CA LEU A 66 7.090 11.755 10.327 1.00 0.00 C ATOM 968 C LEU A 66 6.480 10.455 10.858 1.00 0.00 C ATOM 969 O LEU A 66 7.156 9.686 11.542 1.00 0.00 O ATOM 970 CB LEU A 66 6.342 12.972 10.903 1.00 0.00 C ATOM 971 CG LEU A 66 6.798 14.357 10.394 1.00 0.00 C ATOM 972 CD1 LEU A 66 5.820 15.450 10.829 1.00 0.00 C ATOM 973 CD2 LEU A 66 8.218 14.698 10.832 1.00 0.00 C ATOM 0 H LEU A 66 6.060 12.082 8.583 1.00 0.00 H new ATOM 0 HA LEU A 66 8.136 11.776 10.632 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.281 12.858 10.681 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.445 12.955 11.988 1.00 0.00 H new ATOM 0 HG LEU A 66 6.802 14.307 9.305 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.164 16.415 10.458 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.831 15.237 10.422 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.766 15.478 11.917 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.491 15.681 10.449 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.271 14.705 11.921 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.909 13.951 10.440 1.00 0.00 H new ATOM 985 N THR A 67 5.204 10.205 10.570 1.00 0.00 N ATOM 986 CA THR A 67 4.357 9.180 11.175 1.00 0.00 C ATOM 987 C THR A 67 4.676 7.789 10.622 1.00 0.00 C ATOM 988 O THR A 67 4.518 6.782 11.311 1.00 0.00 O ATOM 989 CB THR A 67 2.905 9.591 10.872 1.00 0.00 C ATOM 990 OG1 THR A 67 2.686 10.913 11.322 1.00 0.00 O ATOM 991 CG2 THR A 67 1.849 8.690 11.498 1.00 0.00 C ATOM 0 H THR A 67 4.704 10.746 9.865 1.00 0.00 H new ATOM 0 HA THR A 67 4.528 9.114 12.249 1.00 0.00 H new ATOM 0 HB THR A 67 2.794 9.502 9.791 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.762 11.176 11.128 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.856 9.054 11.232 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.973 7.672 11.128 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.960 8.698 12.582 1.00 0.00 H new ATOM 999 N HIS A 68 5.213 7.737 9.404 1.00 0.00 N ATOM 1000 CA HIS A 68 5.671 6.513 8.765 1.00 0.00 C ATOM 1001 C HIS A 68 7.174 6.611 8.532 1.00 0.00 C ATOM 1002 O HIS A 68 7.727 5.962 7.647 1.00 0.00 O ATOM 1003 CB HIS A 68 4.851 6.222 7.508 1.00 0.00 C ATOM 1004 CG HIS A 68 3.404 5.948 7.816 1.00 0.00 C ATOM 1005 ND1 HIS A 68 2.868 4.725 8.139 1.00 0.00 N ATOM 1006 CD2 HIS A 68 2.389 6.864 7.867 1.00 0.00 C ATOM 1007 CE1 HIS A 68 1.554 4.900 8.353 1.00 0.00 C ATOM 1008 NE2 HIS A 68 1.216 6.189 8.195 1.00 0.00 N ATOM 0 H HIS A 68 5.343 8.566 8.824 1.00 0.00 H new ATOM 0 HA HIS A 68 5.508 5.650 9.411 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.920 7.071 6.828 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.278 5.363 6.990 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.481 7.925 7.685 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.864 4.112 8.616 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.285 6.594 8.295 1.00 0.00 H new ATOM 1016 N LYS A 69 7.873 7.385 9.371 1.00 0.00 N ATOM 1017 CA LYS A 69 9.330 7.398 9.438 1.00 0.00 C ATOM 1018 C LYS A 69 9.894 5.981 9.532 1.00 0.00 C ATOM 1019 O LYS A 69 10.916 5.682 8.930 1.00 0.00 O ATOM 1020 CB LYS A 69 9.718 8.250 10.651 1.00 0.00 C ATOM 1021 CG LYS A 69 11.201 8.199 11.023 1.00 0.00 C ATOM 1022 CD LYS A 69 12.021 8.847 9.903 1.00 0.00 C ATOM 1023 CE LYS A 69 12.918 9.966 10.428 1.00 0.00 C ATOM 1024 NZ LYS A 69 14.308 9.515 10.623 1.00 0.00 N ATOM 0 H LYS A 69 7.432 8.027 10.029 1.00 0.00 H new ATOM 0 HA LYS A 69 9.754 7.826 8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.443 9.286 10.453 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.131 7.923 11.509 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.371 8.722 11.964 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.516 7.166 11.171 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.634 8.088 9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.348 9.247 9.145 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.903 10.801 9.728 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.521 10.335 11.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.882 10.305 10.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.327 8.735 11.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.697 9.186 9.716 1.00 0.00 H new ATOM 1038 N ASN A 70 9.203 5.119 10.263 1.00 0.00 N ATOM 1039 CA ASN A 70 9.442 3.692 10.408 1.00 0.00 C ATOM 1040 C ASN A 70 9.473 2.930 9.082 1.00 0.00 C ATOM 1041 O ASN A 70 10.177 1.925 8.981 1.00 0.00 O ATOM 1042 CB ASN A 70 8.357 3.099 11.315 1.00 0.00 C ATOM 1043 CG ASN A 70 6.965 3.672 11.074 1.00 0.00 C ATOM 1044 OD1 ASN A 70 6.277 3.253 10.154 1.00 0.00 O ATOM 1045 ND2 ASN A 70 6.561 4.684 11.822 1.00 0.00 N ATOM 0 H ASN A 70 8.399 5.423 10.812 1.00 0.00 H new ATOM 0 HA ASN A 70 10.434 3.580 10.845 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.325 2.020 11.167 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.634 3.270 12.355 1.00 0.00 H new ATOM 0 HD21 ASN A 70 5.662 5.129 11.636 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.148 5.020 12.585 1.00 0.00 H new ATOM 1052 N LYS A 71 8.707 3.347 8.075 1.00 0.00 N ATOM 1053 CA LYS A 71 8.783 2.820 6.723 1.00 0.00 C ATOM 1054 C LYS A 71 9.811 3.535 5.866 1.00 0.00 C ATOM 1055 O LYS A 71 10.303 2.975 4.886 1.00 0.00 O ATOM 1056 CB LYS A 71 7.395 2.974 6.106 1.00 0.00 C ATOM 1057 CG LYS A 71 6.278 2.152 6.740 1.00 0.00 C ATOM 1058 CD LYS A 71 6.513 0.655 6.570 1.00 0.00 C ATOM 1059 CE LYS A 71 5.223 -0.166 6.623 1.00 0.00 C ATOM 1060 NZ LYS A 71 5.537 -1.585 6.901 1.00 0.00 N ATOM 0 H LYS A 71 8.003 4.077 8.184 1.00 0.00 H new ATOM 0 HA LYS A 71 9.100 1.778 6.766 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.114 4.026 6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.458 2.708 5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.208 2.391 7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.324 2.424 6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.010 0.478 5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.189 0.309 7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.563 0.227 7.397 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.690 -0.082 5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.655 -2.135 6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.150 -1.959 6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.027 -1.659 7.815 1.00 0.00 H new ATOM 1074 N ILE A 72 10.148 4.775 6.186 1.00 0.00 N ATOM 1075 CA ILE A 72 11.187 5.462 5.446 1.00 0.00 C ATOM 1076 C ILE A 72 12.518 4.785 5.760 1.00 0.00 C ATOM 1077 O ILE A 72 12.739 4.328 6.882 1.00 0.00 O ATOM 1078 CB ILE A 72 11.154 6.956 5.784 1.00 0.00 C ATOM 1079 CG1 ILE A 72 9.837 7.549 5.236 1.00 0.00 C ATOM 1080 CG2 ILE A 72 12.375 7.736 5.270 1.00 0.00 C ATOM 1081 CD1 ILE A 72 9.617 9.039 5.461 1.00 0.00 C ATOM 0 H ILE A 72 9.724 5.316 6.940 1.00 0.00 H new ATOM 0 HA ILE A 72 11.033 5.396 4.369 1.00 0.00 H new ATOM 0 HB ILE A 72 11.198 7.056 6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 72 9.796 7.356 4.164 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.005 7.009 5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.279 8.786 5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.282 7.325 5.713 1.00 0.00 H new ATOM 0 HG23 ILE A 72 12.430 7.651 4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.660 9.334 5.032 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.615 9.249 6.531 1.00 0.00 H new ATOM 0 HD13 ILE A 72 10.418 9.602 4.982 1.00 0.00 H new ATOM 1093 N ASN A 73 13.412 4.773 4.772 1.00 0.00 N ATOM 1094 CA ASN A 73 14.816 4.461 4.978 1.00 0.00 C ATOM 1095 C ASN A 73 15.493 5.609 5.748 1.00 0.00 C ATOM 1096 O ASN A 73 15.335 5.758 6.962 1.00 0.00 O ATOM 1097 CB ASN A 73 15.494 4.071 3.641 1.00 0.00 C ATOM 1098 CG ASN A 73 15.448 5.067 2.473 1.00 0.00 C ATOM 1099 OD1 ASN A 73 15.115 6.244 2.616 1.00 0.00 O ATOM 1100 ND2 ASN A 73 15.842 4.638 1.291 1.00 0.00 N ATOM 0 H ASN A 73 13.176 4.982 3.802 1.00 0.00 H new ATOM 0 HA ASN A 73 14.927 3.578 5.607 1.00 0.00 H new ATOM 0 HB2 ASN A 73 16.542 3.857 3.852 1.00 0.00 H new ATOM 0 HB3 ASN A 73 15.041 3.140 3.300 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.870 5.280 0.499 1.00 0.00 H new ATOM 0 HD22 ASN A 73 16.119 3.664 1.168 1.00 0.00 H new ATOM 1107 N LYS A 74 16.232 6.474 5.061 1.00 0.00 N ATOM 1108 CA LYS A 74 16.969 7.601 5.608 1.00 0.00 C ATOM 1109 C LYS A 74 16.901 8.794 4.661 1.00 0.00 C ATOM 1110 O LYS A 74 16.869 9.932 5.132 1.00 0.00 O ATOM 1111 CB LYS A 74 18.416 7.141 5.845 1.00 0.00 C ATOM 1112 CG LYS A 74 18.895 7.429 7.266 1.00 0.00 C ATOM 1113 CD LYS A 74 19.442 8.842 7.474 1.00 0.00 C ATOM 1114 CE LYS A 74 18.479 9.919 7.976 1.00 0.00 C ATOM 1115 NZ LYS A 74 19.222 11.154 8.317 1.00 0.00 N ATOM 0 H LYS A 74 16.337 6.400 4.049 1.00 0.00 H new ATOM 0 HA LYS A 74 16.533 7.928 6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.491 6.071 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 74 19.074 7.641 5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.066 7.268 7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 74 19.671 6.710 7.528 1.00 0.00 H new ATOM 0 HD2 LYS A 74 20.270 8.779 8.180 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.858 9.182 6.525 1.00 0.00 H new ATOM 0 HE2 LYS A 74 17.733 10.135 7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.941 9.556 8.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.556 11.877 8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 19.917 10.946 9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.715 11.507 7.472 1.00 0.00 H new ATOM 1129 N ALA A 75 16.818 8.547 3.350 1.00 0.00 N ATOM 1130 CA ALA A 75 16.664 9.598 2.355 1.00 0.00 C ATOM 1131 C ALA A 75 15.329 10.333 2.478 1.00 0.00 C ATOM 1132 O ALA A 75 15.233 11.485 2.051 1.00 0.00 O ATOM 1133 CB ALA A 75 16.746 8.975 0.960 1.00 0.00 C ATOM 0 H ALA A 75 16.856 7.608 2.954 1.00 0.00 H new ATOM 0 HA ALA A 75 17.461 10.323 2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 75 16.632 9.754 0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 75 17.713 8.488 0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.951 8.238 0.843 1.00 0.00 H new ATOM 1139 N GLY A 76 14.292 9.679 3.020 1.00 0.00 N ATOM 1140 CA GLY A 76 12.922 10.124 2.812 1.00 0.00 C ATOM 1141 C GLY A 76 12.193 9.223 1.815 1.00 0.00 C ATOM 1142 O GLY A 76 11.048 9.517 1.472 1.00 0.00 O ATOM 0 H GLY A 76 14.383 8.846 3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.389 10.125 3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.922 11.151 2.446 1.00 0.00 H new ATOM 1146 N GLU A 77 12.823 8.153 1.311 1.00 0.00 N ATOM 1147 CA GLU A 77 12.128 7.165 0.501 1.00 0.00 C ATOM 1148 C GLU A 77 11.368 6.243 1.443 1.00 0.00 C ATOM 1149 O GLU A 77 11.968 5.659 2.345 1.00 0.00 O ATOM 1150 CB GLU A 77 13.097 6.404 -0.411 1.00 0.00 C ATOM 1151 CG GLU A 77 13.632 7.316 -1.523 1.00 0.00 C ATOM 1152 CD GLU A 77 14.056 6.515 -2.744 1.00 0.00 C ATOM 1153 OE1 GLU A 77 13.161 6.042 -3.476 1.00 0.00 O ATOM 1154 OE2 GLU A 77 15.270 6.350 -2.992 1.00 0.00 O ATOM 0 H GLU A 77 13.814 7.957 1.455 1.00 0.00 H new ATOM 0 HA GLU A 77 11.422 7.654 -0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.928 6.016 0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.590 5.546 -0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.863 8.035 -1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.481 7.888 -1.149 1.00 0.00 H new ATOM 1161 N LEU A 78 10.047 6.173 1.266 1.00 0.00 N ATOM 1162 CA LEU A 78 9.165 5.230 1.935 1.00 0.00 C ATOM 1163 C LEU A 78 9.373 3.902 1.248 1.00 0.00 C ATOM 1164 O LEU A 78 9.259 3.869 0.026 1.00 0.00 O ATOM 1165 CB LEU A 78 7.692 5.677 1.779 1.00 0.00 C ATOM 1166 CG LEU A 78 6.755 5.059 2.837 1.00 0.00 C ATOM 1167 CD1 LEU A 78 7.026 5.750 4.174 1.00 0.00 C ATOM 1168 CD2 LEU A 78 5.271 5.264 2.509 1.00 0.00 C ATOM 0 H LEU A 78 9.550 6.796 0.629 1.00 0.00 H new ATOM 0 HA LEU A 78 9.383 5.169 3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.640 6.764 1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.339 5.402 0.785 1.00 0.00 H new ATOM 0 HG LEU A 78 6.954 3.988 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.374 5.329 4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.067 5.596 4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.830 6.818 4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.660 4.808 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.054 6.331 2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.043 4.799 1.550 1.00 0.00 H new ATOM 1180 N VAL A 79 9.693 2.850 1.991 1.00 0.00 N ATOM 1181 CA VAL A 79 9.714 1.486 1.495 1.00 0.00 C ATOM 1182 C VAL A 79 8.838 0.649 2.424 1.00 0.00 C ATOM 1183 O VAL A 79 8.933 0.750 3.648 1.00 0.00 O ATOM 1184 CB VAL A 79 11.157 0.996 1.216 1.00 0.00 C ATOM 1185 CG1 VAL A 79 12.284 1.797 1.885 1.00 0.00 C ATOM 1186 CG2 VAL A 79 11.365 -0.513 1.423 1.00 0.00 C ATOM 0 H VAL A 79 9.950 2.926 2.975 1.00 0.00 H new ATOM 0 HA VAL A 79 9.272 1.389 0.503 1.00 0.00 H new ATOM 0 HB VAL A 79 11.246 1.201 0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 79 13.247 1.362 1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 79 12.246 2.832 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.159 1.766 2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.402 -0.770 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.135 -0.774 2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.706 -1.066 0.754 1.00 0.00 H new ATOM 1196 N LEU A 80 7.940 -0.146 1.848 1.00 0.00 N ATOM 1197 CA LEU A 80 7.200 -1.183 2.543 1.00 0.00 C ATOM 1198 C LEU A 80 7.109 -2.402 1.637 1.00 0.00 C ATOM 1199 O LEU A 80 7.453 -2.343 0.450 1.00 0.00 O ATOM 1200 CB LEU A 80 5.827 -0.684 3.033 1.00 0.00 C ATOM 1201 CG LEU A 80 4.654 -0.633 2.035 1.00 0.00 C ATOM 1202 CD1 LEU A 80 3.489 0.141 2.660 1.00 0.00 C ATOM 1203 CD2 LEU A 80 4.966 0.077 0.724 1.00 0.00 C ATOM 0 H LEU A 80 7.704 -0.081 0.858 1.00 0.00 H new ATOM 0 HA LEU A 80 7.730 -1.468 3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.524 -1.318 3.866 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.965 0.321 3.432 1.00 0.00 H new ATOM 0 HG LEU A 80 4.425 -1.676 1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.658 0.179 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.168 -0.359 3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.811 1.155 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.084 0.064 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.251 1.109 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.787 -0.434 0.220 1.00 0.00 H new ATOM 1215 N THR A 81 6.640 -3.508 2.193 1.00 0.00 N ATOM 1216 CA THR A 81 6.397 -4.733 1.459 1.00 0.00 C ATOM 1217 C THR A 81 5.013 -5.219 1.906 1.00 0.00 C ATOM 1218 O THR A 81 4.516 -4.799 2.960 1.00 0.00 O ATOM 1219 CB THR A 81 7.569 -5.723 1.696 1.00 0.00 C ATOM 1220 OG1 THR A 81 7.423 -6.356 2.946 1.00 0.00 O ATOM 1221 CG2 THR A 81 8.955 -5.071 1.728 1.00 0.00 C ATOM 0 H THR A 81 6.414 -3.577 3.185 1.00 0.00 H new ATOM 0 HA THR A 81 6.374 -4.609 0.376 1.00 0.00 H new ATOM 0 HB THR A 81 7.517 -6.410 0.851 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.123 -7.279 2.812 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.713 -5.836 1.898 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.146 -4.576 0.776 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.993 -4.337 2.533 1.00 0.00 H new ATOM 1229 N SER A 82 4.355 -6.049 1.106 1.00 0.00 N ATOM 1230 CA SER A 82 3.243 -6.848 1.574 1.00 0.00 C ATOM 1231 C SER A 82 3.347 -8.187 0.854 1.00 0.00 C ATOM 1232 O SER A 82 3.638 -8.213 -0.347 1.00 0.00 O ATOM 1233 CB SER A 82 1.936 -6.087 1.330 1.00 0.00 C ATOM 1234 OG SER A 82 1.014 -6.364 2.376 1.00 0.00 O ATOM 0 H SER A 82 4.580 -6.183 0.120 1.00 0.00 H new ATOM 0 HA SER A 82 3.261 -7.039 2.647 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.132 -5.016 1.280 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.509 -6.378 0.370 1.00 0.00 H new ATOM 0 HG SER A 82 0.480 -7.152 2.141 1.00 0.00 H new ATOM 1240 N GLU A 83 3.138 -9.294 1.562 1.00 0.00 N ATOM 1241 CA GLU A 83 3.317 -10.633 1.029 1.00 0.00 C ATOM 1242 C GLU A 83 2.197 -11.498 1.599 1.00 0.00 C ATOM 1243 O GLU A 83 2.049 -11.591 2.820 1.00 0.00 O ATOM 1244 CB GLU A 83 4.700 -11.195 1.401 1.00 0.00 C ATOM 1245 CG GLU A 83 5.909 -10.350 1.023 1.00 0.00 C ATOM 1246 CD GLU A 83 6.469 -9.555 2.209 1.00 0.00 C ATOM 1247 OE1 GLU A 83 5.983 -8.447 2.530 1.00 0.00 O ATOM 1248 OE2 GLU A 83 7.480 -10.011 2.788 1.00 0.00 O ATOM 0 H GLU A 83 2.835 -9.281 2.536 1.00 0.00 H new ATOM 0 HA GLU A 83 3.271 -10.622 -0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.722 -11.357 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.808 -12.172 0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.690 -10.998 0.624 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.630 -9.659 0.227 1.00 0.00 H new ATOM 1255 N SER A 84 1.367 -12.071 0.729 1.00 0.00 N ATOM 1256 CA SER A 84 0.176 -12.820 1.108 1.00 0.00 C ATOM 1257 C SER A 84 -0.162 -13.939 0.112 1.00 0.00 C ATOM 1258 O SER A 84 -0.925 -14.850 0.448 1.00 0.00 O ATOM 1259 CB SER A 84 -0.980 -11.819 1.256 1.00 0.00 C ATOM 1260 OG SER A 84 -1.192 -11.076 0.066 1.00 0.00 O ATOM 0 H SER A 84 1.509 -12.025 -0.280 1.00 0.00 H new ATOM 0 HA SER A 84 0.357 -13.329 2.055 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.893 -12.355 1.517 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.765 -11.135 2.077 1.00 0.00 H new ATOM 0 HG SER A 84 -1.842 -10.363 0.237 1.00 0.00 H new ATOM 1266 N SER A 85 0.376 -13.919 -1.115 1.00 0.00 N ATOM 1267 CA SER A 85 0.095 -14.909 -2.139 1.00 0.00 C ATOM 1268 C SER A 85 1.310 -15.081 -3.058 1.00 0.00 C ATOM 1269 O SER A 85 2.405 -14.583 -2.789 1.00 0.00 O ATOM 1270 CB SER A 85 -1.174 -14.463 -2.878 1.00 0.00 C ATOM 1271 OG SER A 85 -1.724 -15.507 -3.666 1.00 0.00 O ATOM 0 H SER A 85 1.029 -13.197 -1.420 1.00 0.00 H new ATOM 0 HA SER A 85 -0.087 -15.894 -1.709 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.916 -14.126 -2.154 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.941 -13.611 -3.516 1.00 0.00 H new ATOM 0 HG SER A 85 -1.667 -15.266 -4.614 1.00 0.00 H new ATOM 1277 N ARG A 86 1.127 -15.853 -4.129 1.00 0.00 N ATOM 1278 CA ARG A 86 2.190 -16.304 -5.029 1.00 0.00 C ATOM 1279 C ARG A 86 2.298 -15.477 -6.313 1.00 0.00 C ATOM 1280 O ARG A 86 3.307 -15.562 -7.009 1.00 0.00 O ATOM 1281 CB ARG A 86 1.989 -17.802 -5.336 1.00 0.00 C ATOM 1282 CG ARG A 86 0.802 -18.160 -6.255 1.00 0.00 C ATOM 1283 CD ARG A 86 -0.572 -18.017 -5.602 1.00 0.00 C ATOM 1284 NE ARG A 86 -1.575 -18.834 -6.298 1.00 0.00 N ATOM 1285 CZ ARG A 86 -2.770 -19.173 -5.809 1.00 0.00 C ATOM 1286 NH1 ARG A 86 -3.214 -18.611 -4.688 1.00 0.00 N ATOM 1287 NH2 ARG A 86 -3.501 -20.082 -6.439 1.00 0.00 N ATOM 0 H ARG A 86 0.205 -16.193 -4.403 1.00 0.00 H new ATOM 0 HA ARG A 86 3.141 -16.155 -4.517 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.902 -18.183 -5.793 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.861 -18.330 -4.391 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.838 -17.523 -7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.922 -19.188 -6.598 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.514 -18.319 -4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.878 -16.971 -5.615 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.339 -19.170 -7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.641 -17.921 -4.202 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.127 -18.870 -4.315 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.149 -20.518 -7.292 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.415 -20.346 -6.071 1.00 0.00 H new ATOM 1301 N TYR A 87 1.258 -14.728 -6.660 1.00 0.00 N ATOM 1302 CA TYR A 87 1.183 -13.893 -7.856 1.00 0.00 C ATOM 1303 C TYR A 87 2.109 -12.668 -7.751 1.00 0.00 C ATOM 1304 O TYR A 87 2.770 -12.501 -6.731 1.00 0.00 O ATOM 1305 CB TYR A 87 -0.262 -13.431 -7.939 1.00 0.00 C ATOM 1306 CG TYR A 87 -1.310 -14.520 -8.006 1.00 0.00 C ATOM 1307 CD1 TYR A 87 -1.536 -15.225 -9.201 1.00 0.00 C ATOM 1308 CD2 TYR A 87 -2.094 -14.791 -6.872 1.00 0.00 C ATOM 1309 CE1 TYR A 87 -2.560 -16.186 -9.261 1.00 0.00 C ATOM 1310 CE2 TYR A 87 -3.109 -15.755 -6.925 1.00 0.00 C ATOM 1311 CZ TYR A 87 -3.354 -16.457 -8.124 1.00 0.00 C ATOM 1312 OH TYR A 87 -4.334 -17.399 -8.168 1.00 0.00 O ATOM 0 H TYR A 87 0.410 -14.683 -6.095 1.00 0.00 H new ATOM 0 HA TYR A 87 1.498 -14.452 -8.737 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.472 -12.807 -7.071 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.369 -12.798 -8.820 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.925 -15.029 -10.070 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.913 -14.253 -5.953 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.741 -16.721 -10.182 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -3.704 -15.961 -6.048 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.777 -17.452 -7.295 1.00 0.00 H new ATOM 1322 N GLN A 88 2.118 -11.789 -8.769 1.00 0.00 N ATOM 1323 CA GLN A 88 2.826 -10.506 -8.706 1.00 0.00 C ATOM 1324 C GLN A 88 1.864 -9.400 -8.239 1.00 0.00 C ATOM 1325 O GLN A 88 1.826 -9.088 -7.048 1.00 0.00 O ATOM 1326 CB GLN A 88 3.550 -10.166 -10.028 1.00 0.00 C ATOM 1327 CG GLN A 88 4.410 -11.301 -10.625 1.00 0.00 C ATOM 1328 CD GLN A 88 3.721 -11.998 -11.791 1.00 0.00 C ATOM 1329 OE1 GLN A 88 3.487 -11.375 -12.821 1.00 0.00 O ATOM 1330 NE2 GLN A 88 3.361 -13.265 -11.672 1.00 0.00 N ATOM 0 H GLN A 88 1.636 -11.951 -9.653 1.00 0.00 H new ATOM 0 HA GLN A 88 3.622 -10.586 -7.965 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.803 -9.873 -10.766 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.189 -9.299 -9.860 1.00 0.00 H new ATOM 0 HG2 GLN A 88 5.363 -10.893 -10.961 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.632 -12.032 -9.848 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.561 -13.773 -10.811 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.883 -13.734 -12.442 1.00 0.00 H new ATOM 1339 N PHE A 89 1.029 -8.876 -9.149 1.00 0.00 N ATOM 1340 CA PHE A 89 0.074 -7.784 -8.923 1.00 0.00 C ATOM 1341 C PHE A 89 -0.832 -8.046 -7.705 1.00 0.00 C ATOM 1342 O PHE A 89 -1.320 -7.098 -7.108 1.00 0.00 O ATOM 1343 CB PHE A 89 -0.714 -7.524 -10.216 1.00 0.00 C ATOM 1344 CG PHE A 89 -1.926 -6.622 -10.081 1.00 0.00 C ATOM 1345 CD1 PHE A 89 -1.779 -5.224 -10.159 1.00 0.00 C ATOM 1346 CD2 PHE A 89 -3.208 -7.180 -9.903 1.00 0.00 C ATOM 1347 CE1 PHE A 89 -2.909 -4.392 -10.073 1.00 0.00 C ATOM 1348 CE2 PHE A 89 -4.336 -6.346 -9.810 1.00 0.00 C ATOM 1349 CZ PHE A 89 -4.187 -4.952 -9.904 1.00 0.00 C ATOM 0 H PHE A 89 1.001 -9.220 -10.109 1.00 0.00 H new ATOM 0 HA PHE A 89 0.623 -6.876 -8.673 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.038 -7.085 -10.949 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.041 -8.483 -10.619 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.798 -4.791 -10.285 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.324 -8.252 -9.838 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.795 -3.320 -10.137 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.316 -6.776 -9.666 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.054 -4.311 -9.846 1.00 0.00 H new ATOM 1359 N ARG A 90 -1.044 -9.294 -7.265 1.00 0.00 N ATOM 1360 CA ARG A 90 -1.777 -9.594 -6.026 1.00 0.00 C ATOM 1361 C ARG A 90 -1.096 -9.027 -4.782 1.00 0.00 C ATOM 1362 O ARG A 90 -1.742 -8.339 -3.995 1.00 0.00 O ATOM 1363 CB ARG A 90 -1.916 -11.109 -5.848 1.00 0.00 C ATOM 1364 CG ARG A 90 -2.859 -11.531 -4.719 1.00 0.00 C ATOM 1365 CD ARG A 90 -4.310 -11.180 -5.041 1.00 0.00 C ATOM 1366 NE ARG A 90 -4.861 -10.247 -4.044 1.00 0.00 N ATOM 1367 CZ ARG A 90 -6.056 -10.358 -3.458 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -6.963 -11.205 -3.930 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -6.333 -9.620 -2.399 1.00 0.00 N ATOM 0 H ARG A 90 -0.713 -10.124 -7.757 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.754 -9.121 -6.127 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.273 -11.541 -6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.930 -11.532 -5.658 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.772 -12.605 -4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.562 -11.040 -3.792 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.368 -10.733 -6.034 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.911 -12.089 -5.065 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.282 -9.450 -3.779 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.750 -11.778 -4.747 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.873 -11.283 -3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -5.637 -8.970 -2.034 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.244 -9.699 -1.946 1.00 0.00 H new ATOM 1383 N ASN A 91 0.166 -9.399 -4.557 1.00 0.00 N ATOM 1384 CA ASN A 91 0.918 -8.956 -3.386 1.00 0.00 C ATOM 1385 C ASN A 91 1.116 -7.456 -3.513 1.00 0.00 C ATOM 1386 O ASN A 91 0.919 -6.697 -2.570 1.00 0.00 O ATOM 1387 CB ASN A 91 2.295 -9.632 -3.337 1.00 0.00 C ATOM 1388 CG ASN A 91 2.242 -11.109 -3.013 1.00 0.00 C ATOM 1389 OD1 ASN A 91 1.605 -11.536 -2.059 1.00 0.00 O ATOM 1390 ND2 ASN A 91 2.888 -11.937 -3.806 1.00 0.00 N ATOM 0 H ASN A 91 0.691 -10.013 -5.179 1.00 0.00 H new ATOM 0 HA ASN A 91 0.373 -9.216 -2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.789 -9.499 -4.300 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.910 -9.128 -2.591 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.860 -12.941 -3.627 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.417 -11.575 -4.599 1.00 0.00 H new ATOM 1397 N LEU A 92 1.483 -7.039 -4.722 1.00 0.00 N ATOM 1398 CA LEU A 92 1.772 -5.667 -5.057 1.00 0.00 C ATOM 1399 C LEU A 92 0.542 -4.780 -4.814 1.00 0.00 C ATOM 1400 O LEU A 92 0.692 -3.725 -4.206 1.00 0.00 O ATOM 1401 CB LEU A 92 2.323 -5.687 -6.491 1.00 0.00 C ATOM 1402 CG LEU A 92 2.921 -4.393 -7.051 1.00 0.00 C ATOM 1403 CD1 LEU A 92 1.876 -3.543 -7.768 1.00 0.00 C ATOM 1404 CD2 LEU A 92 3.675 -3.601 -5.984 1.00 0.00 C ATOM 0 H LEU A 92 1.588 -7.675 -5.513 1.00 0.00 H new ATOM 0 HA LEU A 92 2.528 -5.211 -4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.091 -6.459 -6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.515 -5.996 -7.155 1.00 0.00 H new ATOM 0 HG LEU A 92 3.656 -4.684 -7.802 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.344 -2.635 -8.149 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.454 -4.109 -8.598 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.083 -3.276 -7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.082 -2.691 -6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.992 -3.338 -5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.489 -4.208 -5.588 1.00 0.00 H new ATOM 1416 N ALA A 93 -0.670 -5.227 -5.171 1.00 0.00 N ATOM 1417 CA ALA A 93 -1.939 -4.542 -4.909 1.00 0.00 C ATOM 1418 C ALA A 93 -2.121 -4.208 -3.430 1.00 0.00 C ATOM 1419 O ALA A 93 -2.675 -3.160 -3.101 1.00 0.00 O ATOM 1420 CB ALA A 93 -3.133 -5.403 -5.353 1.00 0.00 C ATOM 0 H ALA A 93 -0.796 -6.108 -5.669 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.905 -3.616 -5.483 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.062 -4.871 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.059 -5.604 -6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.126 -6.345 -4.805 1.00 0.00 H new ATOM 1426 N GLU A 94 -1.687 -5.106 -2.550 1.00 0.00 N ATOM 1427 CA GLU A 94 -1.799 -4.964 -1.112 1.00 0.00 C ATOM 1428 C GLU A 94 -0.846 -3.881 -0.618 1.00 0.00 C ATOM 1429 O GLU A 94 -1.243 -3.041 0.179 1.00 0.00 O ATOM 1430 CB GLU A 94 -1.477 -6.319 -0.497 1.00 0.00 C ATOM 1431 CG GLU A 94 -2.002 -6.483 0.919 1.00 0.00 C ATOM 1432 CD GLU A 94 -1.783 -7.937 1.310 1.00 0.00 C ATOM 1433 OE1 GLU A 94 -2.456 -8.831 0.737 1.00 0.00 O ATOM 1434 OE2 GLU A 94 -0.902 -8.202 2.156 1.00 0.00 O ATOM 0 H GLU A 94 -1.235 -5.976 -2.832 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.804 -4.658 -0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.899 -7.104 -1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.396 -6.460 -0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.478 -5.817 1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.060 -6.225 0.970 1.00 0.00 H new ATOM 1441 N CYS A 95 0.379 -3.827 -1.153 1.00 0.00 N ATOM 1442 CA CYS A 95 1.270 -2.692 -0.937 1.00 0.00 C ATOM 1443 C CYS A 95 0.531 -1.383 -1.242 1.00 0.00 C ATOM 1444 O CYS A 95 0.548 -0.466 -0.419 1.00 0.00 O ATOM 1445 CB CYS A 95 2.543 -2.834 -1.787 1.00 0.00 C ATOM 1446 SG CYS A 95 3.965 -3.243 -0.744 1.00 0.00 S ATOM 0 H CYS A 95 0.773 -4.562 -1.741 1.00 0.00 H new ATOM 0 HA CYS A 95 1.577 -2.672 0.109 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.400 -3.611 -2.538 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.734 -1.904 -2.323 1.00 0.00 H new ATOM 0 HG CYS A 95 5.027 -3.360 -1.485 1.00 0.00 H new ATOM 1452 N LEU A 96 -0.139 -1.305 -2.401 1.00 0.00 N ATOM 1453 CA LEU A 96 -0.889 -0.113 -2.805 1.00 0.00 C ATOM 1454 C LEU A 96 -2.019 0.171 -1.825 1.00 0.00 C ATOM 1455 O LEU A 96 -2.240 1.328 -1.486 1.00 0.00 O ATOM 1456 CB LEU A 96 -1.497 -0.205 -4.215 1.00 0.00 C ATOM 1457 CG LEU A 96 -0.638 -0.882 -5.284 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -1.410 -0.907 -6.598 1.00 0.00 C ATOM 1459 CD2 LEU A 96 0.759 -0.272 -5.458 1.00 0.00 C ATOM 0 H LEU A 96 -0.175 -2.065 -3.080 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.155 0.693 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.442 -0.744 -4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.730 0.805 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.443 -1.899 -4.943 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.805 -1.388 -7.366 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.337 -1.464 -6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.641 0.113 -6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.298 -0.813 -6.235 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.666 0.776 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.307 -0.344 -4.519 1.00 0.00 H new ATOM 1471 N GLN A 97 -2.739 -0.858 -1.379 1.00 0.00 N ATOM 1472 CA GLN A 97 -3.838 -0.707 -0.439 1.00 0.00 C ATOM 1473 C GLN A 97 -3.312 -0.046 0.825 1.00 0.00 C ATOM 1474 O GLN A 97 -3.940 0.902 1.292 1.00 0.00 O ATOM 1475 CB GLN A 97 -4.434 -2.092 -0.121 1.00 0.00 C ATOM 1476 CG GLN A 97 -5.706 -2.049 0.739 1.00 0.00 C ATOM 1477 CD GLN A 97 -6.913 -1.582 -0.061 1.00 0.00 C ATOM 1478 OE1 GLN A 97 -7.206 -2.128 -1.126 1.00 0.00 O ATOM 1479 NE2 GLN A 97 -7.625 -0.563 0.384 1.00 0.00 N ATOM 0 H GLN A 97 -2.572 -1.823 -1.664 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.623 -0.084 -0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -4.660 -2.602 -1.058 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.681 -2.689 0.394 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.902 -3.040 1.148 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.550 -1.380 1.586 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.378 -0.115 1.266 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.422 -0.224 -0.155 1.00 0.00 H new ATOM 1488 N LYS A 98 -2.153 -0.478 1.349 1.00 0.00 N ATOM 1489 CA LYS A 98 -1.657 0.130 2.578 1.00 0.00 C ATOM 1490 C LYS A 98 -1.287 1.549 2.241 1.00 0.00 C ATOM 1491 O LYS A 98 -1.784 2.422 2.921 1.00 0.00 O ATOM 1492 CB LYS A 98 -0.501 -0.580 3.295 1.00 0.00 C ATOM 1493 CG LYS A 98 -0.600 -2.119 3.285 1.00 0.00 C ATOM 1494 CD LYS A 98 0.746 -2.797 2.989 1.00 0.00 C ATOM 1495 CE LYS A 98 1.196 -3.721 4.114 1.00 0.00 C ATOM 1496 NZ LYS A 98 1.251 -3.070 5.448 1.00 0.00 N ATOM 0 H LYS A 98 -1.568 -1.215 0.955 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.461 0.053 3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.438 -0.285 2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.464 -0.236 4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.970 -2.462 4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.330 -2.427 2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.665 -3.369 2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.506 -2.033 2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.517 -4.572 4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.183 -4.115 3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.905 -3.594 6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.584 -2.091 5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.302 -3.069 5.873 1.00 0.00 H new ATOM 1510 N ILE A 99 -0.495 1.813 1.191 1.00 0.00 N ATOM 1511 CA ILE A 99 -0.185 3.159 0.730 1.00 0.00 C ATOM 1512 C ILE A 99 -1.426 4.062 0.752 1.00 0.00 C ATOM 1513 O ILE A 99 -1.334 5.171 1.283 1.00 0.00 O ATOM 1514 CB ILE A 99 0.490 3.044 -0.654 1.00 0.00 C ATOM 1515 CG1 ILE A 99 1.927 2.521 -0.458 1.00 0.00 C ATOM 1516 CG2 ILE A 99 0.459 4.348 -1.465 1.00 0.00 C ATOM 1517 CD1 ILE A 99 2.492 1.884 -1.732 1.00 0.00 C ATOM 0 H ILE A 99 -0.050 1.082 0.636 1.00 0.00 H new ATOM 0 HA ILE A 99 0.514 3.650 1.407 1.00 0.00 H new ATOM 0 HB ILE A 99 -0.084 2.337 -1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.572 3.344 -0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.938 1.787 0.348 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.951 4.191 -2.425 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.575 4.648 -1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.979 5.132 -0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.506 1.531 -1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.864 1.043 -2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.508 2.624 -2.532 1.00 0.00 H new ATOM 1529 N ARG A 100 -2.569 3.610 0.219 1.00 0.00 N ATOM 1530 CA ARG A 100 -3.809 4.375 0.197 1.00 0.00 C ATOM 1531 C ARG A 100 -4.300 4.614 1.611 1.00 0.00 C ATOM 1532 O ARG A 100 -4.631 5.750 1.940 1.00 0.00 O ATOM 1533 CB ARG A 100 -4.893 3.645 -0.610 1.00 0.00 C ATOM 1534 CG ARG A 100 -4.564 3.637 -2.104 1.00 0.00 C ATOM 1535 CD ARG A 100 -5.774 3.291 -2.956 1.00 0.00 C ATOM 1536 NE ARG A 100 -6.301 1.928 -2.773 1.00 0.00 N ATOM 1537 CZ ARG A 100 -7.594 1.593 -2.639 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -8.549 2.518 -2.563 1.00 0.00 N ATOM 1539 NH2 ARG A 100 -7.927 0.313 -2.588 1.00 0.00 N ATOM 0 H ARG A 100 -2.653 2.690 -0.213 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.606 5.332 -0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.988 2.620 -0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.856 4.129 -0.450 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.184 4.616 -2.396 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -3.769 2.916 -2.295 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.569 4.003 -2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.509 3.423 -4.005 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.621 1.168 -2.746 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.305 3.507 -2.606 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.524 2.237 -2.461 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.205 -0.405 -2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.906 0.044 -2.486 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.328 3.571 2.433 1.00 0.00 N ATOM 1554 CA ASP A 101 -4.751 3.637 3.822 1.00 0.00 C ATOM 1555 C ASP A 101 -3.878 4.612 4.616 1.00 0.00 C ATOM 1556 O ASP A 101 -4.393 5.386 5.414 1.00 0.00 O ATOM 1557 CB ASP A 101 -4.669 2.252 4.474 1.00 0.00 C ATOM 1558 CG ASP A 101 -5.815 2.003 5.443 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -5.665 2.327 6.645 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -6.820 1.395 5.012 1.00 0.00 O ATOM 0 H ASP A 101 -4.050 2.634 2.142 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.783 3.989 3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -4.679 1.486 3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.721 2.157 5.003 1.00 0.00 H new ATOM 1565 N MET A 102 -2.563 4.593 4.374 1.00 0.00 N ATOM 1566 CA MET A 102 -1.538 5.416 5.013 1.00 0.00 C ATOM 1567 C MET A 102 -1.715 6.884 4.627 1.00 0.00 C ATOM 1568 O MET A 102 -1.424 7.782 5.408 1.00 0.00 O ATOM 1569 CB MET A 102 -0.122 4.938 4.625 1.00 0.00 C ATOM 1570 CG MET A 102 0.145 3.456 4.964 1.00 0.00 C ATOM 1571 SD MET A 102 1.742 2.981 5.666 1.00 0.00 S ATOM 1572 CE MET A 102 2.766 3.487 4.282 1.00 0.00 C ATOM 0 H MET A 102 -2.163 3.960 3.681 1.00 0.00 H new ATOM 0 HA MET A 102 -1.653 5.315 6.092 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.023 5.089 3.555 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.614 5.557 5.137 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.628 3.136 5.663 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.006 2.881 4.049 1.00 0.00 H new ATOM 0 HE1 MET A 102 3.758 3.048 4.384 1.00 0.00 H new ATOM 0 HE2 MET A 102 2.313 3.148 3.351 1.00 0.00 H new ATOM 0 HE3 MET A 102 2.850 4.574 4.270 1.00 0.00 H new ATOM 1582 N ILE A 103 -2.174 7.137 3.402 1.00 0.00 N ATOM 1583 CA ILE A 103 -2.497 8.458 2.894 1.00 0.00 C ATOM 1584 C ILE A 103 -3.771 8.920 3.588 1.00 0.00 C ATOM 1585 O ILE A 103 -3.768 9.965 4.229 1.00 0.00 O ATOM 1586 CB ILE A 103 -2.542 8.382 1.348 1.00 0.00 C ATOM 1587 CG1 ILE A 103 -1.082 8.524 0.865 1.00 0.00 C ATOM 1588 CG2 ILE A 103 -3.488 9.373 0.645 1.00 0.00 C ATOM 1589 CD1 ILE A 103 -0.829 7.884 -0.493 1.00 0.00 C ATOM 0 H ILE A 103 -2.335 6.398 2.717 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.750 9.219 3.118 1.00 0.00 H new ATOM 0 HB ILE A 103 -2.981 7.424 1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.826 9.582 0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.418 8.071 1.601 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.434 9.225 -0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.510 9.203 0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -3.191 10.393 0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.216 8.021 -0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.054 6.819 -0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.468 8.353 -1.241 1.00 0.00 H new ATOM 1601 N ALA A 104 -4.828 8.115 3.538 1.00 0.00 N ATOM 1602 CA ALA A 104 -6.100 8.404 4.167 1.00 0.00 C ATOM 1603 C ALA A 104 -5.928 8.692 5.660 1.00 0.00 C ATOM 1604 O ALA A 104 -6.441 9.698 6.143 1.00 0.00 O ATOM 1605 CB ALA A 104 -7.021 7.218 3.906 1.00 0.00 C ATOM 0 H ALA A 104 -4.817 7.222 3.045 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.542 9.306 3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -7.991 7.402 4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -7.149 7.086 2.832 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -6.582 6.316 4.332 1.00 0.00 H new ATOM 1611 N GLU A 105 -5.164 7.870 6.383 1.00 0.00 N ATOM 1612 CA GLU A 105 -4.953 7.988 7.827 1.00 0.00 C ATOM 1613 C GLU A 105 -4.071 9.175 8.203 1.00 0.00 C ATOM 1614 O GLU A 105 -4.016 9.553 9.376 1.00 0.00 O ATOM 1615 CB GLU A 105 -4.418 6.675 8.417 1.00 0.00 C ATOM 1616 CG GLU A 105 -2.889 6.538 8.425 1.00 0.00 C ATOM 1617 CD GLU A 105 -2.439 5.187 8.986 1.00 0.00 C ATOM 1618 OE1 GLU A 105 -2.554 4.996 10.222 1.00 0.00 O ATOM 1619 OE2 GLU A 105 -2.013 4.283 8.232 1.00 0.00 O ATOM 0 H GLU A 105 -4.662 7.084 5.970 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.929 8.185 8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.781 6.581 9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.839 5.843 7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.509 6.654 7.410 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.456 7.341 9.021 1.00 0.00 H new ATOM 1626 N ALA A 106 -3.384 9.743 7.216 1.00 0.00 N ATOM 1627 CA ALA A 106 -2.629 10.965 7.346 1.00 0.00 C ATOM 1628 C ALA A 106 -3.446 12.189 6.946 1.00 0.00 C ATOM 1629 O ALA A 106 -3.048 13.302 7.287 1.00 0.00 O ATOM 1630 CB ALA A 106 -1.412 10.858 6.430 1.00 0.00 C ATOM 0 H ALA A 106 -3.342 9.345 6.278 1.00 0.00 H new ATOM 0 HA ALA A 106 -2.342 11.091 8.390 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.819 11.769 6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -0.805 10.004 6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -1.743 10.725 5.400 1.00 0.00 H new ATOM 1636 N SER A 107 -4.535 12.015 6.200 1.00 0.00 N ATOM 1637 CA SER A 107 -5.158 13.127 5.491 1.00 0.00 C ATOM 1638 C SER A 107 -6.289 13.764 6.291 1.00 0.00 C ATOM 1639 O SER A 107 -6.642 14.915 6.039 1.00 0.00 O ATOM 1640 CB SER A 107 -5.649 12.636 4.123 1.00 0.00 C ATOM 1641 OG SER A 107 -5.842 13.719 3.234 1.00 0.00 O ATOM 0 H SER A 107 -5.002 11.117 6.072 1.00 0.00 H new ATOM 0 HA SER A 107 -4.412 13.909 5.351 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.924 11.940 3.701 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.584 12.089 4.243 1.00 0.00 H new ATOM 0 HG SER A 107 -6.153 13.380 2.369 1.00 0.00 H new ATOM 1647 N GLY A 108 -6.885 13.030 7.225 1.00 0.00 N ATOM 1648 CA GLY A 108 -8.102 13.405 7.893 1.00 0.00 C ATOM 1649 C GLY A 108 -7.884 14.306 9.106 1.00 0.00 C ATOM 1650 O GLY A 108 -6.768 14.744 9.401 1.00 0.00 O ATOM 0 H GLY A 108 -6.514 12.133 7.539 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.752 13.917 7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.624 12.503 8.211 1.00 0.00 H new ATOM 1654 N PRO A 109 -8.994 14.614 9.790 1.00 0.00 N ATOM 1655 CA PRO A 109 -9.015 15.416 10.994 1.00 0.00 C ATOM 1656 C PRO A 109 -8.497 14.562 12.146 1.00 0.00 C ATOM 1657 O PRO A 109 -9.012 13.462 12.374 1.00 0.00 O ATOM 1658 CB PRO A 109 -10.481 15.806 11.198 1.00 0.00 C ATOM 1659 CG PRO A 109 -11.292 14.783 10.391 1.00 0.00 C ATOM 1660 CD PRO A 109 -10.287 14.000 9.560 1.00 0.00 C ATOM 0 HA PRO A 109 -8.390 16.307 10.935 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -10.752 15.777 12.253 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -10.670 16.821 10.848 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -11.850 14.120 11.053 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -12.020 15.282 9.752 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.275 12.950 9.853 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.549 14.033 8.502 1.00 0.00 H new ATOM 1668 N SER A 110 -7.513 15.069 12.885 1.00 0.00 N ATOM 1669 CA SER A 110 -6.983 14.429 14.074 1.00 0.00 C ATOM 1670 C SER A 110 -8.005 14.566 15.208 1.00 0.00 C ATOM 1671 O SER A 110 -7.822 15.391 16.109 1.00 0.00 O ATOM 1672 CB SER A 110 -5.629 15.066 14.422 1.00 0.00 C ATOM 1673 OG SER A 110 -5.754 16.472 14.565 1.00 0.00 O ATOM 0 H SER A 110 -7.056 15.954 12.665 1.00 0.00 H new ATOM 0 HA SER A 110 -6.813 13.365 13.909 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.246 14.635 15.347 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.904 14.839 13.641 1.00 0.00 H new ATOM 0 HG SER A 110 -6.493 16.674 15.175 1.00 0.00 H new ATOM 1679 N SER A 111 -9.105 13.820 15.154 1.00 0.00 N ATOM 1680 CA SER A 111 -10.085 13.742 16.222 1.00 0.00 C ATOM 1681 C SER A 111 -9.428 13.008 17.399 1.00 0.00 C ATOM 1682 O SER A 111 -9.429 11.776 17.466 1.00 0.00 O ATOM 1683 CB SER A 111 -11.364 13.076 15.698 1.00 0.00 C ATOM 1684 OG SER A 111 -11.860 13.787 14.572 1.00 0.00 O ATOM 0 H SER A 111 -9.341 13.242 14.347 1.00 0.00 H new ATOM 0 HA SER A 111 -10.394 14.725 16.577 1.00 0.00 H new ATOM 0 HB2 SER A 111 -11.158 12.042 15.423 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.119 13.052 16.484 1.00 0.00 H new ATOM 0 HG SER A 111 -12.675 13.353 14.244 1.00 0.00 H new ATOM 1690 N GLY A 112 -8.781 13.762 18.283 1.00 0.00 N ATOM 1691 CA GLY A 112 -8.118 13.295 19.479 1.00 0.00 C ATOM 1692 C GLY A 112 -8.203 14.451 20.432 1.00 0.00 C ATOM 1693 O GLY A 112 -9.129 14.471 21.263 1.00 0.00 O ATOM 0 H GLY A 112 -8.706 14.773 18.170 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -8.608 12.410 19.884 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.082 13.022 19.278 1.00 0.00 H new TER 1697 GLY A 112