USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 786 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 50 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 70 TYR OH : rot 44:sc= 0.227! USER MOD Set 2.1: A 32 TYR OH : rot -48:sc= 0.331 USER MOD Set 2.2: A 40 CYS SG : rot 170:sc= 0.403 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0517 USER MOD Single : A 10 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.13) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -100:sc= -0.142 (180deg=-3!) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 18 MET CE :methyl 179:sc= -0.0378 (180deg=-0.0378) USER MOD Single : A 20 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.56) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -123:sc= 0 (180deg=-1.31) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.105 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -3.14 K(o=-3.1,f=-4.7!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.169 USER MOD Single : A 72 ASN : amide:sc= -2.1 K(o=-2.1,f=-4.1!) USER MOD Single : A 78 SER OG : rot 4:sc= 0.993 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.606 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00187 USER MOD Single : A 85 SER OG : rot 180:sc= -0.929 USER MOD Single : A 89 SER OG : rot 50:sc= -0.0774 USER MOD Single : A 90 THR OG1 : rot -12:sc= 1.19 USER MOD Single : A 96 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.22) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.876 -19.510 -3.360 1.00 0.00 N ATOM 2 CA GLY A 1 -11.924 -18.761 -4.159 1.00 0.00 C ATOM 3 C GLY A 1 -10.604 -18.551 -3.444 1.00 0.00 C ATOM 4 O GLY A 1 -10.271 -17.432 -3.056 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.761 -19.626 -3.893 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.481 -20.446 -3.136 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.069 -18.995 -2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.746 -19.289 -5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.353 -17.792 -4.416 1.00 0.00 H new ATOM 8 N SER A 2 -9.851 -19.632 -3.267 1.00 0.00 N ATOM 9 CA SER A 2 -8.562 -19.563 -2.588 1.00 0.00 C ATOM 10 C SER A 2 -8.728 -19.055 -1.159 1.00 0.00 C ATOM 11 O SER A 2 -7.950 -18.224 -0.690 1.00 0.00 O ATOM 12 CB SER A 2 -7.605 -18.652 -3.358 1.00 0.00 C ATOM 13 OG SER A 2 -7.243 -19.227 -4.601 1.00 0.00 O ATOM 0 H SER A 2 -10.111 -20.566 -3.584 1.00 0.00 H new ATOM 0 HA SER A 2 -8.143 -20.569 -2.551 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.076 -17.683 -3.525 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.710 -18.473 -2.762 1.00 0.00 H new ATOM 0 HG SER A 2 -6.632 -18.624 -5.075 1.00 0.00 H new ATOM 19 N SER A 3 -9.747 -19.560 -0.472 1.00 0.00 N ATOM 20 CA SER A 3 -10.019 -19.155 0.903 1.00 0.00 C ATOM 21 C SER A 3 -9.650 -20.267 1.880 1.00 0.00 C ATOM 22 O SER A 3 -9.511 -21.427 1.493 1.00 0.00 O ATOM 23 CB SER A 3 -11.494 -18.785 1.066 1.00 0.00 C ATOM 24 OG SER A 3 -11.789 -17.563 0.412 1.00 0.00 O ATOM 0 H SER A 3 -10.399 -20.251 -0.845 1.00 0.00 H new ATOM 0 HA SER A 3 -9.406 -18.281 1.126 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.119 -19.580 0.658 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.736 -18.702 2.125 1.00 0.00 H new ATOM 0 HG SER A 3 -12.738 -17.350 0.530 1.00 0.00 H new ATOM 30 N GLY A 4 -9.493 -19.904 3.149 1.00 0.00 N ATOM 31 CA GLY A 4 -9.142 -20.881 4.162 1.00 0.00 C ATOM 32 C GLY A 4 -10.165 -20.953 5.278 1.00 0.00 C ATOM 33 O GLY A 4 -10.209 -20.081 6.147 1.00 0.00 O ATOM 0 H GLY A 4 -9.603 -18.950 3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.046 -21.862 3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.168 -20.630 4.582 1.00 0.00 H new ATOM 37 N SER A 5 -10.992 -21.993 5.255 1.00 0.00 N ATOM 38 CA SER A 5 -12.024 -22.172 6.270 1.00 0.00 C ATOM 39 C SER A 5 -11.402 -22.388 7.646 1.00 0.00 C ATOM 40 O SER A 5 -11.774 -21.731 8.618 1.00 0.00 O ATOM 41 CB SER A 5 -12.921 -23.358 5.911 1.00 0.00 C ATOM 42 OG SER A 5 -14.058 -23.412 6.756 1.00 0.00 O ATOM 0 H SER A 5 -10.968 -22.725 4.545 1.00 0.00 H new ATOM 0 HA SER A 5 -12.628 -21.265 6.303 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.240 -23.275 4.872 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.355 -24.285 5.998 1.00 0.00 H new ATOM 0 HG SER A 5 -14.616 -24.178 6.505 1.00 0.00 H new ATOM 48 N SER A 6 -10.452 -23.314 7.719 1.00 0.00 N ATOM 49 CA SER A 6 -9.779 -23.621 8.976 1.00 0.00 C ATOM 50 C SER A 6 -9.227 -22.353 9.621 1.00 0.00 C ATOM 51 O SER A 6 -9.458 -22.092 10.801 1.00 0.00 O ATOM 52 CB SER A 6 -8.646 -24.622 8.742 1.00 0.00 C ATOM 53 OG SER A 6 -8.299 -25.290 9.942 1.00 0.00 O ATOM 0 H SER A 6 -10.131 -23.865 6.923 1.00 0.00 H new ATOM 0 HA SER A 6 -10.511 -24.063 9.652 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.950 -25.351 7.991 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.773 -24.102 8.346 1.00 0.00 H new ATOM 0 HG SER A 6 -7.574 -25.925 9.765 1.00 0.00 H new ATOM 59 N GLY A 7 -8.496 -21.567 8.836 1.00 0.00 N ATOM 60 CA GLY A 7 -7.923 -20.336 9.346 1.00 0.00 C ATOM 61 C GLY A 7 -7.540 -19.373 8.240 1.00 0.00 C ATOM 62 O GLY A 7 -8.168 -18.328 8.072 1.00 0.00 O ATOM 0 H GLY A 7 -8.291 -21.761 7.856 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.639 -19.854 10.011 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.041 -20.569 9.942 1.00 0.00 H new ATOM 66 N GLY A 8 -6.504 -19.723 7.484 1.00 0.00 N ATOM 67 CA GLY A 8 -6.055 -18.870 6.399 1.00 0.00 C ATOM 68 C GLY A 8 -4.636 -18.375 6.600 1.00 0.00 C ATOM 69 O GLY A 8 -3.693 -19.167 6.638 1.00 0.00 O ATOM 0 H GLY A 8 -5.967 -20.582 7.604 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.115 -19.420 5.460 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.726 -18.015 6.311 1.00 0.00 H new ATOM 73 N THR A 9 -4.482 -17.061 6.727 1.00 0.00 N ATOM 74 CA THR A 9 -3.168 -16.461 6.922 1.00 0.00 C ATOM 75 C THR A 9 -3.258 -15.211 7.790 1.00 0.00 C ATOM 76 O THR A 9 -4.244 -14.478 7.737 1.00 0.00 O ATOM 77 CB THR A 9 -2.514 -16.092 5.577 1.00 0.00 C ATOM 78 OG1 THR A 9 -2.736 -17.135 4.621 1.00 0.00 O ATOM 79 CG2 THR A 9 -1.020 -15.863 5.747 1.00 0.00 C ATOM 0 H THR A 9 -5.251 -16.392 6.698 1.00 0.00 H new ATOM 0 HA THR A 9 -2.552 -17.206 7.425 1.00 0.00 H new ATOM 0 HB THR A 9 -2.969 -15.169 5.218 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.318 -16.892 3.768 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.580 -15.604 4.784 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.855 -15.049 6.453 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.553 -16.772 6.126 1.00 0.00 H new ATOM 87 N GLN A 10 -2.221 -14.975 8.588 1.00 0.00 N ATOM 88 CA GLN A 10 -2.184 -13.813 9.467 1.00 0.00 C ATOM 89 C GLN A 10 -2.888 -12.622 8.825 1.00 0.00 C ATOM 90 O GLN A 10 -3.936 -12.179 9.296 1.00 0.00 O ATOM 91 CB GLN A 10 -0.738 -13.446 9.803 1.00 0.00 C ATOM 92 CG GLN A 10 -0.155 -14.256 10.950 1.00 0.00 C ATOM 93 CD GLN A 10 0.404 -15.590 10.498 1.00 0.00 C ATOM 94 OE1 GLN A 10 1.535 -15.673 10.020 1.00 0.00 O ATOM 95 NE2 GLN A 10 -0.389 -16.645 10.648 1.00 0.00 N ATOM 0 H GLN A 10 -1.396 -15.573 8.643 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.709 -14.069 10.387 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.120 -13.590 8.917 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.690 -12.387 10.056 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.635 -13.680 11.432 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.928 -14.426 11.700 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.320 -16.530 11.049 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.067 -17.570 10.362 1.00 0.00 H new ATOM 104 N LEU A 11 -2.304 -12.107 7.749 1.00 0.00 N ATOM 105 CA LEU A 11 -2.875 -10.965 7.041 1.00 0.00 C ATOM 106 C LEU A 11 -4.340 -11.214 6.699 1.00 0.00 C ATOM 107 O LEU A 11 -5.194 -10.357 6.926 1.00 0.00 O ATOM 108 CB LEU A 11 -2.081 -10.684 5.764 1.00 0.00 C ATOM 109 CG LEU A 11 -2.471 -9.420 4.997 1.00 0.00 C ATOM 110 CD1 LEU A 11 -1.978 -8.179 5.726 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.918 -9.463 3.580 1.00 0.00 C ATOM 0 H LEU A 11 -1.436 -12.461 7.347 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.817 -10.096 7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.025 -10.616 6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.190 -11.539 5.096 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.559 -9.375 4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.265 -7.290 5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.423 -8.140 6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.892 -8.217 5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.206 -8.555 3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.831 -9.533 3.616 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.321 -10.331 3.058 1.00 0.00 H new ATOM 123 N GLU A 12 -4.623 -12.393 6.154 1.00 0.00 N ATOM 124 CA GLU A 12 -5.986 -12.754 5.782 1.00 0.00 C ATOM 125 C GLU A 12 -6.939 -12.565 6.959 1.00 0.00 C ATOM 126 O GLU A 12 -8.073 -12.115 6.789 1.00 0.00 O ATOM 127 CB GLU A 12 -6.039 -14.204 5.296 1.00 0.00 C ATOM 128 CG GLU A 12 -5.788 -14.356 3.805 1.00 0.00 C ATOM 129 CD GLU A 12 -6.815 -13.623 2.963 1.00 0.00 C ATOM 130 OE1 GLU A 12 -8.020 -13.728 3.275 1.00 0.00 O ATOM 131 OE2 GLU A 12 -6.414 -12.946 1.994 1.00 0.00 O ATOM 0 H GLU A 12 -3.928 -13.114 5.960 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.301 -12.096 4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.299 -14.789 5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.016 -14.623 5.536 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.793 -13.979 3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.799 -15.414 3.545 1.00 0.00 H new ATOM 138 N LYS A 13 -6.472 -12.914 8.153 1.00 0.00 N ATOM 139 CA LYS A 13 -7.280 -12.783 9.359 1.00 0.00 C ATOM 140 C LYS A 13 -7.583 -11.318 9.656 1.00 0.00 C ATOM 141 O LYS A 13 -8.745 -10.921 9.755 1.00 0.00 O ATOM 142 CB LYS A 13 -6.560 -13.417 10.551 1.00 0.00 C ATOM 143 CG LYS A 13 -6.895 -14.885 10.754 1.00 0.00 C ATOM 144 CD LYS A 13 -5.964 -15.784 9.958 1.00 0.00 C ATOM 145 CE LYS A 13 -4.603 -15.910 10.626 1.00 0.00 C ATOM 146 NZ LYS A 13 -4.588 -16.987 11.654 1.00 0.00 N ATOM 0 H LYS A 13 -5.537 -13.290 8.311 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.223 -13.304 9.192 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.484 -13.315 10.411 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.818 -12.866 11.455 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.824 -15.132 11.813 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.926 -15.069 10.452 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.412 -16.772 9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.841 -15.382 8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.845 -16.118 9.871 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.337 -14.961 11.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.644 -17.041 12.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.293 -16.776 12.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.817 -17.897 11.206 1.00 0.00 H new ATOM 160 N LEU A 14 -6.531 -10.518 9.794 1.00 0.00 N ATOM 161 CA LEU A 14 -6.685 -9.095 10.077 1.00 0.00 C ATOM 162 C LEU A 14 -7.502 -8.408 8.987 1.00 0.00 C ATOM 163 O LEU A 14 -8.538 -7.804 9.263 1.00 0.00 O ATOM 164 CB LEU A 14 -5.313 -8.428 10.199 1.00 0.00 C ATOM 165 CG LEU A 14 -5.315 -6.965 10.644 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.234 -6.868 12.159 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.164 -6.209 9.997 1.00 0.00 C ATOM 0 H LEU A 14 -5.563 -10.830 9.715 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.217 -8.993 11.023 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.714 -9.001 10.907 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.813 -8.492 9.233 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.250 -6.508 10.321 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.237 -5.820 12.457 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.092 -7.373 12.602 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.315 -7.341 12.505 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.181 -5.170 10.325 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.219 -6.666 10.289 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.266 -6.249 8.913 1.00 0.00 H new ATOM 179 N MET A 15 -7.028 -8.506 7.749 1.00 0.00 N ATOM 180 CA MET A 15 -7.717 -7.897 6.618 1.00 0.00 C ATOM 181 C MET A 15 -9.169 -8.359 6.552 1.00 0.00 C ATOM 182 O MET A 15 -10.053 -7.602 6.151 1.00 0.00 O ATOM 183 CB MET A 15 -7.001 -8.242 5.311 1.00 0.00 C ATOM 184 CG MET A 15 -5.628 -7.602 5.183 1.00 0.00 C ATOM 185 SD MET A 15 -5.710 -5.809 5.015 1.00 0.00 S ATOM 186 CE MET A 15 -4.512 -5.298 6.245 1.00 0.00 C ATOM 0 H MET A 15 -6.170 -9.001 7.504 1.00 0.00 H new ATOM 0 HA MET A 15 -7.704 -6.816 6.757 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.896 -9.325 5.238 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.620 -7.925 4.472 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.031 -7.854 6.059 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.115 -8.021 4.317 1.00 0.00 H new ATOM 0 HE1 MET A 15 -5.031 -4.991 7.153 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.845 -6.130 6.471 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.929 -4.461 5.860 1.00 0.00 H new ATOM 196 N GLU A 16 -9.408 -9.605 6.949 1.00 0.00 N ATOM 197 CA GLU A 16 -10.753 -10.166 6.933 1.00 0.00 C ATOM 198 C GLU A 16 -11.672 -9.403 7.883 1.00 0.00 C ATOM 199 O GLU A 16 -12.849 -9.195 7.591 1.00 0.00 O ATOM 200 CB GLU A 16 -10.717 -11.646 7.321 1.00 0.00 C ATOM 201 CG GLU A 16 -12.089 -12.237 7.596 1.00 0.00 C ATOM 202 CD GLU A 16 -12.016 -13.590 8.277 1.00 0.00 C ATOM 203 OE1 GLU A 16 -11.839 -13.623 9.513 1.00 0.00 O ATOM 204 OE2 GLU A 16 -12.135 -14.616 7.574 1.00 0.00 O ATOM 0 H GLU A 16 -8.688 -10.244 7.285 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.146 -10.072 5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.241 -12.211 6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.095 -11.765 8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.658 -11.550 8.222 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.633 -12.336 6.656 1.00 0.00 H new ATOM 211 N ASN A 17 -11.125 -8.989 9.021 1.00 0.00 N ATOM 212 CA ASN A 17 -11.895 -8.250 10.015 1.00 0.00 C ATOM 213 C ASN A 17 -12.128 -6.812 9.563 1.00 0.00 C ATOM 214 O ASN A 17 -13.226 -6.276 9.706 1.00 0.00 O ATOM 215 CB ASN A 17 -11.172 -8.263 11.364 1.00 0.00 C ATOM 216 CG ASN A 17 -11.327 -9.585 12.090 1.00 0.00 C ATOM 217 OD1 ASN A 17 -12.442 -10.025 12.371 1.00 0.00 O ATOM 218 ND2 ASN A 17 -10.205 -10.225 12.399 1.00 0.00 N ATOM 0 H ASN A 17 -10.152 -9.153 9.278 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.863 -8.738 10.125 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.113 -8.060 11.207 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.562 -7.460 11.990 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.246 -11.119 12.889 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.302 -9.823 12.146 1.00 0.00 H new ATOM 225 N MET A 18 -11.086 -6.193 9.017 1.00 0.00 N ATOM 226 CA MET A 18 -11.178 -4.817 8.542 1.00 0.00 C ATOM 227 C MET A 18 -12.106 -4.719 7.336 1.00 0.00 C ATOM 228 O MET A 18 -13.055 -3.934 7.334 1.00 0.00 O ATOM 229 CB MET A 18 -9.790 -4.288 8.177 1.00 0.00 C ATOM 230 CG MET A 18 -9.809 -2.888 7.586 1.00 0.00 C ATOM 231 SD MET A 18 -8.195 -2.369 6.974 1.00 0.00 S ATOM 232 CE MET A 18 -8.127 -3.246 5.413 1.00 0.00 C ATOM 0 H MET A 18 -10.169 -6.622 8.893 1.00 0.00 H new ATOM 0 HA MET A 18 -11.591 -4.208 9.346 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.164 -4.288 9.069 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.327 -4.969 7.463 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.531 -2.852 6.770 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.150 -2.183 8.344 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.192 -3.012 4.905 1.00 0.00 H new ATOM 0 HE2 MET A 18 -8.182 -4.319 5.596 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.966 -2.941 4.787 1.00 0.00 H new ATOM 242 N ARG A 19 -11.827 -5.520 6.313 1.00 0.00 N ATOM 243 CA ARG A 19 -12.637 -5.521 5.101 1.00 0.00 C ATOM 244 C ARG A 19 -14.124 -5.507 5.440 1.00 0.00 C ATOM 245 O ARG A 19 -14.938 -4.975 4.686 1.00 0.00 O ATOM 246 CB ARG A 19 -12.310 -6.746 4.245 1.00 0.00 C ATOM 247 CG ARG A 19 -11.008 -6.619 3.471 1.00 0.00 C ATOM 248 CD ARG A 19 -10.784 -7.813 2.557 1.00 0.00 C ATOM 249 NE ARG A 19 -11.876 -7.983 1.602 1.00 0.00 N ATOM 250 CZ ARG A 19 -11.804 -8.774 0.536 1.00 0.00 C ATOM 251 NH1 ARG A 19 -10.698 -9.463 0.292 1.00 0.00 N ATOM 252 NH2 ARG A 19 -12.840 -8.876 -0.286 1.00 0.00 N ATOM 0 H ARG A 19 -11.046 -6.176 6.299 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.402 -4.618 4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.256 -7.624 4.888 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.126 -6.916 3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.023 -5.704 2.879 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.175 -6.533 4.169 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.846 -7.685 2.016 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.684 -8.717 3.159 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.741 -7.467 1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.900 -9.387 0.923 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.645 -10.069 -0.527 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.692 -8.347 -0.100 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.784 -9.483 -1.104 1.00 0.00 H new ATOM 266 N ASN A 20 -14.471 -6.095 6.580 1.00 0.00 N ATOM 267 CA ASN A 20 -15.861 -6.151 7.019 1.00 0.00 C ATOM 268 C ASN A 20 -16.377 -4.759 7.369 1.00 0.00 C ATOM 269 O ASN A 20 -17.190 -4.187 6.642 1.00 0.00 O ATOM 270 CB ASN A 20 -15.998 -7.077 8.230 1.00 0.00 C ATOM 271 CG ASN A 20 -16.178 -8.529 7.830 1.00 0.00 C ATOM 272 OD1 ASN A 20 -17.083 -8.867 7.067 1.00 0.00 O ATOM 273 ND2 ASN A 20 -15.314 -9.395 8.345 1.00 0.00 N ATOM 0 H ASN A 20 -13.809 -6.539 7.217 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.460 -6.546 6.198 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.112 -6.983 8.858 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.850 -6.760 8.832 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.385 -10.386 8.112 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.579 -9.070 8.973 1.00 0.00 H new ATOM 280 N ASP A 21 -15.900 -4.219 8.485 1.00 0.00 N ATOM 281 CA ASP A 21 -16.311 -2.893 8.930 1.00 0.00 C ATOM 282 C ASP A 21 -15.968 -1.838 7.884 1.00 0.00 C ATOM 283 O ASP A 21 -16.555 -0.755 7.864 1.00 0.00 O ATOM 284 CB ASP A 21 -15.640 -2.548 10.260 1.00 0.00 C ATOM 285 CG ASP A 21 -16.498 -1.645 11.125 1.00 0.00 C ATOM 286 OD1 ASP A 21 -17.644 -2.034 11.435 1.00 0.00 O ATOM 287 OD2 ASP A 21 -16.024 -0.550 11.492 1.00 0.00 O ATOM 0 H ASP A 21 -15.228 -4.680 9.098 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.392 -2.902 9.069 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.423 -3.468 10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.685 -2.060 10.066 1.00 0.00 H new ATOM 292 N ILE A 22 -15.014 -2.160 7.016 1.00 0.00 N ATOM 293 CA ILE A 22 -14.593 -1.239 5.968 1.00 0.00 C ATOM 294 C ILE A 22 -15.526 -1.314 4.764 1.00 0.00 C ATOM 295 O ILE A 22 -15.811 -0.303 4.123 1.00 0.00 O ATOM 296 CB ILE A 22 -13.153 -1.532 5.506 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.150 -0.792 6.392 1.00 0.00 C ATOM 298 CG2 ILE A 22 -12.974 -1.136 4.048 1.00 0.00 C ATOM 299 CD1 ILE A 22 -12.236 0.714 6.275 1.00 0.00 C ATOM 0 H ILE A 22 -14.519 -3.052 7.018 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.632 -0.236 6.394 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.968 -2.602 5.597 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.315 -1.078 7.431 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.141 -1.112 6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.952 -1.349 3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.668 -1.704 3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.174 -0.071 3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.496 1.173 6.931 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.041 1.011 5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.233 1.045 6.565 1.00 0.00 H new ATOM 311 N ALA A 23 -16.001 -2.518 4.463 1.00 0.00 N ATOM 312 CA ALA A 23 -16.905 -2.725 3.339 1.00 0.00 C ATOM 313 C ALA A 23 -18.340 -2.375 3.718 1.00 0.00 C ATOM 314 O ALA A 23 -19.177 -2.121 2.851 1.00 0.00 O ATOM 315 CB ALA A 23 -16.821 -4.164 2.852 1.00 0.00 C ATOM 0 H ALA A 23 -15.774 -3.366 4.983 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.598 -2.062 2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.502 -4.304 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.802 -4.381 2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.100 -4.839 3.661 1.00 0.00 H new ATOM 321 N SER A 24 -18.619 -2.366 5.017 1.00 0.00 N ATOM 322 CA SER A 24 -19.955 -2.052 5.510 1.00 0.00 C ATOM 323 C SER A 24 -20.048 -0.589 5.934 1.00 0.00 C ATOM 324 O SER A 24 -21.095 0.044 5.794 1.00 0.00 O ATOM 325 CB SER A 24 -20.313 -2.960 6.689 1.00 0.00 C ATOM 326 OG SER A 24 -21.717 -3.091 6.823 1.00 0.00 O ATOM 0 H SER A 24 -17.938 -2.573 5.747 1.00 0.00 H new ATOM 0 HA SER A 24 -20.664 -2.223 4.700 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.865 -3.943 6.544 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.893 -2.551 7.608 1.00 0.00 H new ATOM 0 HG SER A 24 -21.920 -3.677 7.582 1.00 0.00 H new ATOM 332 N HIS A 25 -18.945 -0.059 6.453 1.00 0.00 N ATOM 333 CA HIS A 25 -18.901 1.330 6.897 1.00 0.00 C ATOM 334 C HIS A 25 -17.675 2.042 6.333 1.00 0.00 C ATOM 335 O HIS A 25 -16.876 2.628 7.063 1.00 0.00 O ATOM 336 CB HIS A 25 -18.887 1.399 8.424 1.00 0.00 C ATOM 337 CG HIS A 25 -20.251 1.332 9.039 1.00 0.00 C ATOM 338 ND1 HIS A 25 -20.916 2.441 9.519 1.00 0.00 N ATOM 339 CD2 HIS A 25 -21.076 0.280 9.250 1.00 0.00 C ATOM 340 CE1 HIS A 25 -22.090 2.073 10.000 1.00 0.00 C ATOM 341 NE2 HIS A 25 -22.212 0.767 9.849 1.00 0.00 N ATOM 0 H HIS A 25 -18.071 -0.570 6.576 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.794 1.833 6.526 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.282 0.579 8.811 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.403 2.325 8.733 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -20.878 -0.751 8.995 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.825 2.729 10.442 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -23.019 0.210 10.131 1.00 0.00 H new ATOM 349 N PRO A 26 -17.522 1.991 5.001 1.00 0.00 N ATOM 350 CA PRO A 26 -16.396 2.625 4.309 1.00 0.00 C ATOM 351 C PRO A 26 -16.171 4.063 4.765 1.00 0.00 C ATOM 352 O PRO A 26 -17.104 4.776 5.133 1.00 0.00 O ATOM 353 CB PRO A 26 -16.818 2.591 2.839 1.00 0.00 C ATOM 354 CG PRO A 26 -17.754 1.436 2.740 1.00 0.00 C ATOM 355 CD PRO A 26 -18.435 1.310 4.068 1.00 0.00 C ATOM 0 HA PRO A 26 -15.455 2.113 4.508 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.305 3.521 2.545 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -15.957 2.460 2.183 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.483 1.598 1.946 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.214 0.522 2.495 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.419 1.779 4.058 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.582 0.266 4.344 1.00 0.00 H new ATOM 363 N PRO A 27 -14.903 4.501 4.742 1.00 0.00 N ATOM 364 CA PRO A 27 -14.527 5.858 5.149 1.00 0.00 C ATOM 365 C PRO A 27 -15.013 6.915 4.163 1.00 0.00 C ATOM 366 O PRO A 27 -15.421 6.596 3.046 1.00 0.00 O ATOM 367 CB PRO A 27 -12.997 5.810 5.170 1.00 0.00 C ATOM 368 CG PRO A 27 -12.639 4.724 4.215 1.00 0.00 C ATOM 369 CD PRO A 27 -13.740 3.705 4.315 1.00 0.00 C ATOM 0 HA PRO A 27 -14.972 6.135 6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.567 6.764 4.864 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.621 5.597 6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.555 5.110 3.199 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.675 4.283 4.469 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.919 3.212 3.360 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.501 2.924 5.037 1.00 0.00 H new ATOM 377 N VAL A 28 -14.968 8.175 4.584 1.00 0.00 N ATOM 378 CA VAL A 28 -15.403 9.280 3.737 1.00 0.00 C ATOM 379 C VAL A 28 -14.319 9.665 2.736 1.00 0.00 C ATOM 380 O VAL A 28 -13.184 9.950 3.115 1.00 0.00 O ATOM 381 CB VAL A 28 -15.774 10.517 4.576 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.066 11.706 3.673 1.00 0.00 C ATOM 383 CG2 VAL A 28 -16.964 10.214 5.473 1.00 0.00 C ATOM 0 H VAL A 28 -14.635 8.456 5.506 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.286 8.937 3.198 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.925 10.773 5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.326 12.571 4.283 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.183 11.935 3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -16.898 11.465 3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.213 11.099 6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -17.820 9.933 4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.714 9.393 6.145 1.00 0.00 H new ATOM 393 N GLU A 29 -14.678 9.671 1.456 1.00 0.00 N ATOM 394 CA GLU A 29 -13.736 10.021 0.400 1.00 0.00 C ATOM 395 C GLU A 29 -13.343 11.493 0.487 1.00 0.00 C ATOM 396 O GLU A 29 -14.164 12.380 0.257 1.00 0.00 O ATOM 397 CB GLU A 29 -14.340 9.723 -0.973 1.00 0.00 C ATOM 398 CG GLU A 29 -15.430 10.700 -1.384 1.00 0.00 C ATOM 399 CD GLU A 29 -16.416 10.096 -2.365 1.00 0.00 C ATOM 400 OE1 GLU A 29 -16.986 9.030 -2.051 1.00 0.00 O ATOM 401 OE2 GLU A 29 -16.616 10.688 -3.445 1.00 0.00 O ATOM 0 H GLU A 29 -15.614 9.437 1.126 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.840 9.415 0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.547 9.741 -1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.751 8.714 -0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.966 11.035 -0.496 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.972 11.582 -1.832 1.00 0.00 H new ATOM 408 N GLY A 30 -12.081 11.745 0.822 1.00 0.00 N ATOM 409 CA GLY A 30 -11.602 13.110 0.934 1.00 0.00 C ATOM 410 C GLY A 30 -11.781 13.674 2.329 1.00 0.00 C ATOM 411 O GLY A 30 -11.973 14.878 2.499 1.00 0.00 O ATOM 0 H GLY A 30 -11.382 11.028 1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.547 13.145 0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.135 13.738 0.220 1.00 0.00 H new ATOM 415 N SER A 31 -11.721 12.803 3.331 1.00 0.00 N ATOM 416 CA SER A 31 -11.884 13.221 4.718 1.00 0.00 C ATOM 417 C SER A 31 -10.565 13.114 5.477 1.00 0.00 C ATOM 418 O SER A 31 -10.214 13.995 6.262 1.00 0.00 O ATOM 419 CB SER A 31 -12.952 12.369 5.408 1.00 0.00 C ATOM 420 OG SER A 31 -12.940 12.572 6.810 1.00 0.00 O ATOM 0 H SER A 31 -11.561 11.803 3.208 1.00 0.00 H new ATOM 0 HA SER A 31 -12.202 14.264 4.722 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.935 12.620 5.010 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.779 11.315 5.189 1.00 0.00 H new ATOM 0 HG SER A 31 -13.632 12.018 7.227 1.00 0.00 H new ATOM 426 N TYR A 32 -9.838 12.028 5.236 1.00 0.00 N ATOM 427 CA TYR A 32 -8.558 11.803 5.897 1.00 0.00 C ATOM 428 C TYR A 32 -7.420 12.456 5.118 1.00 0.00 C ATOM 429 O TYR A 32 -7.280 12.250 3.913 1.00 0.00 O ATOM 430 CB TYR A 32 -8.294 10.304 6.046 1.00 0.00 C ATOM 431 CG TYR A 32 -6.836 9.965 6.261 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.938 9.967 5.201 1.00 0.00 C ATOM 433 CD2 TYR A 32 -6.356 9.642 7.525 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.606 9.656 5.392 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.025 9.332 7.726 1.00 0.00 C ATOM 436 CZ TYR A 32 -4.154 9.340 6.656 1.00 0.00 C ATOM 437 OH TYR A 32 -2.827 9.031 6.851 1.00 0.00 O ATOM 0 H TYR A 32 -10.113 11.290 4.588 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.604 12.257 6.887 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.875 9.923 6.886 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.650 9.790 5.153 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.288 10.216 4.210 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.036 9.633 8.364 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.922 9.660 4.556 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.668 9.085 8.715 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.542 8.376 6.180 1.00 0.00 H new ATOM 447 N ALA A 33 -6.609 13.244 5.816 1.00 0.00 N ATOM 448 CA ALA A 33 -5.482 13.926 5.193 1.00 0.00 C ATOM 449 C ALA A 33 -4.193 13.130 5.369 1.00 0.00 C ATOM 450 O ALA A 33 -3.667 12.992 6.474 1.00 0.00 O ATOM 451 CB ALA A 33 -5.325 15.324 5.771 1.00 0.00 C ATOM 0 H ALA A 33 -6.712 13.426 6.814 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.684 14.008 4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.479 15.821 5.296 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.233 15.898 5.587 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.150 15.256 6.845 1.00 0.00 H new ATOM 457 N PRO A 34 -3.671 12.593 4.256 1.00 0.00 N ATOM 458 CA PRO A 34 -2.438 11.801 4.263 1.00 0.00 C ATOM 459 C PRO A 34 -1.205 12.652 4.548 1.00 0.00 C ATOM 460 O PRO A 34 -0.951 13.643 3.863 1.00 0.00 O ATOM 461 CB PRO A 34 -2.376 11.229 2.845 1.00 0.00 C ATOM 462 CG PRO A 34 -3.156 12.189 2.014 1.00 0.00 C ATOM 463 CD PRO A 34 -4.245 12.717 2.906 1.00 0.00 C ATOM 0 HA PRO A 34 -2.446 11.041 5.044 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.347 11.148 2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.806 10.228 2.803 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.521 12.998 1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.575 11.696 1.137 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.493 13.752 2.668 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.163 12.138 2.805 1.00 0.00 H new ATOM 471 N ARG A 35 -0.442 12.258 5.563 1.00 0.00 N ATOM 472 CA ARG A 35 0.765 12.985 5.939 1.00 0.00 C ATOM 473 C ARG A 35 2.012 12.153 5.654 1.00 0.00 C ATOM 474 O ARG A 35 1.983 10.925 5.738 1.00 0.00 O ATOM 475 CB ARG A 35 0.717 13.363 7.421 1.00 0.00 C ATOM 476 CG ARG A 35 -0.505 14.181 7.802 1.00 0.00 C ATOM 477 CD ARG A 35 -0.421 15.597 7.253 1.00 0.00 C ATOM 478 NE ARG A 35 0.488 16.433 8.031 1.00 0.00 N ATOM 479 CZ ARG A 35 1.784 16.554 7.766 1.00 0.00 C ATOM 480 NH1 ARG A 35 2.320 15.897 6.746 1.00 0.00 N ATOM 481 NH2 ARG A 35 2.547 17.335 8.521 1.00 0.00 N ATOM 0 H ARG A 35 -0.638 11.440 6.139 1.00 0.00 H new ATOM 0 HA ARG A 35 0.813 13.895 5.341 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.735 12.453 8.020 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.615 13.928 7.672 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.403 13.695 7.421 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.597 14.215 8.888 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.086 15.564 6.216 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.415 16.045 7.253 1.00 0.00 H new ATOM 0 HE ARG A 35 0.107 16.953 8.822 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.737 15.297 6.163 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.315 15.992 6.545 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.138 17.843 9.305 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.542 17.427 8.317 1.00 0.00 H new ATOM 495 N ARG A 36 3.105 12.831 5.318 1.00 0.00 N ATOM 496 CA ARG A 36 4.361 12.154 5.019 1.00 0.00 C ATOM 497 C ARG A 36 4.847 11.354 6.224 1.00 0.00 C ATOM 498 O ARG A 36 5.286 11.921 7.223 1.00 0.00 O ATOM 499 CB ARG A 36 5.427 13.171 4.606 1.00 0.00 C ATOM 500 CG ARG A 36 6.806 12.563 4.411 1.00 0.00 C ATOM 501 CD ARG A 36 7.621 13.345 3.393 1.00 0.00 C ATOM 502 NE ARG A 36 8.388 14.421 4.015 1.00 0.00 N ATOM 503 CZ ARG A 36 9.583 14.246 4.568 1.00 0.00 C ATOM 504 NH1 ARG A 36 10.145 13.045 4.575 1.00 0.00 N ATOM 505 NH2 ARG A 36 10.219 15.274 5.115 1.00 0.00 N ATOM 0 H ARG A 36 3.146 13.848 5.246 1.00 0.00 H new ATOM 0 HA ARG A 36 4.186 11.465 4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.117 13.653 3.679 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.487 13.950 5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.334 12.544 5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.706 11.529 4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.301 12.668 2.876 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.954 13.764 2.640 1.00 0.00 H new ATOM 0 HE ARG A 36 7.984 15.358 4.025 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.660 12.252 4.155 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.063 12.914 5.000 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.790 16.200 5.111 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.137 15.139 5.539 1.00 0.00 H new ATOM 519 N GLY A 37 4.764 10.030 6.121 1.00 0.00 N ATOM 520 CA GLY A 37 5.198 9.173 7.209 1.00 0.00 C ATOM 521 C GLY A 37 4.054 8.763 8.115 1.00 0.00 C ATOM 522 O GLY A 37 4.262 8.473 9.293 1.00 0.00 O ATOM 0 H GLY A 37 4.404 9.537 5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.670 8.280 6.798 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.955 9.692 7.797 1.00 0.00 H new ATOM 526 N GLU A 38 2.844 8.741 7.566 1.00 0.00 N ATOM 527 CA GLU A 38 1.664 8.366 8.335 1.00 0.00 C ATOM 528 C GLU A 38 0.995 7.131 7.737 1.00 0.00 C ATOM 529 O GLU A 38 0.930 6.975 6.518 1.00 0.00 O ATOM 530 CB GLU A 38 0.668 9.526 8.381 1.00 0.00 C ATOM 531 CG GLU A 38 0.872 10.457 9.565 1.00 0.00 C ATOM 532 CD GLU A 38 0.710 9.750 10.897 1.00 0.00 C ATOM 533 OE1 GLU A 38 -0.445 9.540 11.321 1.00 0.00 O ATOM 534 OE2 GLU A 38 1.740 9.407 11.514 1.00 0.00 O ATOM 0 H GLU A 38 2.655 8.978 6.592 1.00 0.00 H new ATOM 0 HA GLU A 38 1.983 8.130 9.350 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.750 10.101 7.459 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.344 9.123 8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.868 10.896 9.510 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.158 11.278 9.504 1.00 0.00 H new ATOM 541 N PHE A 39 0.500 6.255 8.605 1.00 0.00 N ATOM 542 CA PHE A 39 -0.163 5.033 8.165 1.00 0.00 C ATOM 543 C PHE A 39 -1.642 5.285 7.889 1.00 0.00 C ATOM 544 O PHE A 39 -2.260 6.153 8.506 1.00 0.00 O ATOM 545 CB PHE A 39 -0.009 3.935 9.220 1.00 0.00 C ATOM 546 CG PHE A 39 1.372 3.348 9.277 1.00 0.00 C ATOM 547 CD1 PHE A 39 1.787 2.426 8.329 1.00 0.00 C ATOM 548 CD2 PHE A 39 2.256 3.718 10.278 1.00 0.00 C ATOM 549 CE1 PHE A 39 3.057 1.884 8.380 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.528 3.180 10.333 1.00 0.00 C ATOM 551 CZ PHE A 39 3.929 2.262 9.383 1.00 0.00 C ATOM 0 H PHE A 39 0.545 6.369 9.618 1.00 0.00 H new ATOM 0 HA PHE A 39 0.310 4.706 7.239 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.262 4.344 10.198 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.725 3.140 9.012 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.110 2.128 7.542 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.947 4.435 11.024 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.368 1.165 7.636 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.207 3.477 11.118 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.922 1.840 9.424 1.00 0.00 H new ATOM 561 N CYS A 40 -2.203 4.521 6.958 1.00 0.00 N ATOM 562 CA CYS A 40 -3.610 4.662 6.599 1.00 0.00 C ATOM 563 C CYS A 40 -4.031 3.576 5.615 1.00 0.00 C ATOM 564 O CYS A 40 -3.195 2.831 5.103 1.00 0.00 O ATOM 565 CB CYS A 40 -3.867 6.043 5.994 1.00 0.00 C ATOM 566 SG CYS A 40 -2.747 6.477 4.642 1.00 0.00 S ATOM 0 H CYS A 40 -1.705 3.798 6.438 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.204 4.555 7.507 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.893 6.082 5.628 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.779 6.794 6.779 1.00 0.00 H new ATOM 0 HG CYS A 40 -3.171 7.558 4.057 1.00 0.00 H new ATOM 572 N ILE A 41 -5.331 3.491 5.356 1.00 0.00 N ATOM 573 CA ILE A 41 -5.863 2.495 4.434 1.00 0.00 C ATOM 574 C ILE A 41 -6.083 3.092 3.048 1.00 0.00 C ATOM 575 O ILE A 41 -6.623 4.189 2.912 1.00 0.00 O ATOM 576 CB ILE A 41 -7.192 1.908 4.944 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.242 3.011 5.084 1.00 0.00 C ATOM 578 CG2 ILE A 41 -6.981 1.198 6.274 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.599 2.503 5.517 1.00 0.00 C ATOM 0 H ILE A 41 -6.036 4.100 5.772 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.123 1.697 4.371 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.553 1.180 4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.890 3.746 5.808 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.344 3.527 4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.929 0.788 6.622 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.262 0.389 6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.601 1.908 7.009 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.293 3.340 5.595 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.972 1.790 4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.511 2.012 6.486 1.00 0.00 H new ATOM 591 N ALA A 42 -5.663 2.360 2.021 1.00 0.00 N ATOM 592 CA ALA A 42 -5.817 2.814 0.645 1.00 0.00 C ATOM 593 C ALA A 42 -6.713 1.869 -0.148 1.00 0.00 C ATOM 594 O ALA A 42 -6.617 0.649 -0.016 1.00 0.00 O ATOM 595 CB ALA A 42 -4.457 2.941 -0.025 1.00 0.00 C ATOM 0 H ALA A 42 -5.213 1.450 2.117 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.293 3.794 0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.588 3.281 -1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.848 3.662 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.959 1.971 -0.024 1.00 0.00 H new ATOM 601 N LYS A 43 -7.585 2.440 -0.972 1.00 0.00 N ATOM 602 CA LYS A 43 -8.499 1.649 -1.788 1.00 0.00 C ATOM 603 C LYS A 43 -7.801 1.135 -3.043 1.00 0.00 C ATOM 604 O LYS A 43 -7.220 1.909 -3.804 1.00 0.00 O ATOM 605 CB LYS A 43 -9.721 2.484 -2.177 1.00 0.00 C ATOM 606 CG LYS A 43 -10.977 1.658 -2.393 1.00 0.00 C ATOM 607 CD LYS A 43 -12.232 2.503 -2.245 1.00 0.00 C ATOM 608 CE LYS A 43 -13.404 1.676 -1.738 1.00 0.00 C ATOM 609 NZ LYS A 43 -14.176 1.065 -2.855 1.00 0.00 N ATOM 0 H LYS A 43 -7.678 3.449 -1.093 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.825 0.793 -1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.910 3.221 -1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.498 3.036 -3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.953 1.211 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.002 0.838 -1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.040 3.325 -1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.488 2.948 -3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.036 0.890 -1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.064 2.308 -1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.171 1.363 -2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.777 1.376 -3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.120 0.029 -2.789 1.00 0.00 H new ATOM 623 N PHE A 44 -7.865 -0.176 -3.255 1.00 0.00 N ATOM 624 CA PHE A 44 -7.239 -0.793 -4.419 1.00 0.00 C ATOM 625 C PHE A 44 -8.195 -0.804 -5.608 1.00 0.00 C ATOM 626 O PHE A 44 -9.414 -0.758 -5.440 1.00 0.00 O ATOM 627 CB PHE A 44 -6.799 -2.221 -4.091 1.00 0.00 C ATOM 628 CG PHE A 44 -5.733 -2.746 -5.009 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.545 -2.053 -5.179 1.00 0.00 C ATOM 630 CD2 PHE A 44 -5.917 -3.932 -5.701 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.562 -2.533 -6.023 1.00 0.00 C ATOM 632 CE2 PHE A 44 -4.938 -4.417 -6.547 1.00 0.00 C ATOM 633 CZ PHE A 44 -3.758 -3.717 -6.707 1.00 0.00 C ATOM 0 H PHE A 44 -8.344 -0.831 -2.636 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.362 -0.202 -4.685 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.432 -2.253 -3.065 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.666 -2.880 -4.140 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.386 -1.127 -4.646 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.837 -4.484 -5.578 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.641 -1.983 -6.148 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.095 -5.342 -7.082 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.990 -4.095 -7.366 1.00 0.00 H new ATOM 643 N VAL A 45 -7.633 -0.864 -6.811 1.00 0.00 N ATOM 644 CA VAL A 45 -8.434 -0.881 -8.029 1.00 0.00 C ATOM 645 C VAL A 45 -9.636 -1.808 -7.884 1.00 0.00 C ATOM 646 O VAL A 45 -10.651 -1.635 -8.558 1.00 0.00 O ATOM 647 CB VAL A 45 -7.599 -1.329 -9.244 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.383 -0.432 -9.416 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.182 -2.784 -9.096 1.00 0.00 C ATOM 0 H VAL A 45 -6.626 -0.902 -6.968 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.782 0.139 -8.192 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.215 -1.241 -10.139 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.805 -0.764 -10.279 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.709 0.597 -9.571 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.762 -0.485 -8.522 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.593 -3.084 -9.963 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.583 -2.901 -8.193 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.070 -3.412 -9.026 1.00 0.00 H new ATOM 659 N ASP A 46 -9.514 -2.791 -6.999 1.00 0.00 N ATOM 660 CA ASP A 46 -10.591 -3.745 -6.763 1.00 0.00 C ATOM 661 C ASP A 46 -11.455 -3.309 -5.583 1.00 0.00 C ATOM 662 O ASP A 46 -12.028 -4.139 -4.880 1.00 0.00 O ATOM 663 CB ASP A 46 -10.019 -5.139 -6.503 1.00 0.00 C ATOM 664 CG ASP A 46 -9.675 -5.872 -7.785 1.00 0.00 C ATOM 665 OD1 ASP A 46 -10.402 -5.692 -8.783 1.00 0.00 O ATOM 666 OD2 ASP A 46 -8.679 -6.627 -7.789 1.00 0.00 O ATOM 0 H ASP A 46 -8.680 -2.948 -6.433 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.216 -3.777 -7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.124 -5.052 -5.886 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.742 -5.725 -5.936 1.00 0.00 H new ATOM 671 N GLY A 47 -11.542 -1.999 -5.373 1.00 0.00 N ATOM 672 CA GLY A 47 -12.336 -1.475 -4.277 1.00 0.00 C ATOM 673 C GLY A 47 -12.017 -2.146 -2.956 1.00 0.00 C ATOM 674 O GLY A 47 -12.849 -2.176 -2.051 1.00 0.00 O ATOM 0 H GLY A 47 -11.077 -1.292 -5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.162 -0.403 -4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.394 -1.609 -4.503 1.00 0.00 H new ATOM 678 N GLU A 48 -10.807 -2.686 -2.847 1.00 0.00 N ATOM 679 CA GLU A 48 -10.381 -3.363 -1.627 1.00 0.00 C ATOM 680 C GLU A 48 -9.421 -2.488 -0.826 1.00 0.00 C ATOM 681 O GLU A 48 -8.386 -2.057 -1.336 1.00 0.00 O ATOM 682 CB GLU A 48 -9.712 -4.697 -1.964 1.00 0.00 C ATOM 683 CG GLU A 48 -10.681 -5.753 -2.468 1.00 0.00 C ATOM 684 CD GLU A 48 -11.916 -5.875 -1.597 1.00 0.00 C ATOM 685 OE1 GLU A 48 -11.763 -6.050 -0.370 1.00 0.00 O ATOM 686 OE2 GLU A 48 -13.037 -5.796 -2.143 1.00 0.00 O ATOM 0 H GLU A 48 -10.105 -2.668 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.266 -3.552 -1.019 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.945 -4.529 -2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.206 -5.075 -1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.982 -5.508 -3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.173 -6.717 -2.509 1.00 0.00 H new ATOM 693 N TRP A 49 -9.772 -2.229 0.428 1.00 0.00 N ATOM 694 CA TRP A 49 -8.942 -1.404 1.299 1.00 0.00 C ATOM 695 C TRP A 49 -7.751 -2.197 1.826 1.00 0.00 C ATOM 696 O TRP A 49 -7.881 -3.369 2.179 1.00 0.00 O ATOM 697 CB TRP A 49 -9.770 -0.867 2.468 1.00 0.00 C ATOM 698 CG TRP A 49 -10.759 0.183 2.061 1.00 0.00 C ATOM 699 CD1 TRP A 49 -12.063 -0.012 1.704 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.523 1.593 1.970 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.651 1.190 1.395 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.728 2.190 1.551 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.412 2.408 2.202 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.850 3.564 1.360 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.535 3.771 2.011 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.747 4.338 1.595 1.00 0.00 C ATOM 0 H TRP A 49 -10.625 -2.578 0.865 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.566 -0.565 0.713 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.302 -1.694 2.938 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.098 -0.452 3.219 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.559 -0.971 1.670 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.618 1.317 1.098 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.474 1.980 2.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.783 4.003 1.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.682 4.410 2.185 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.812 5.407 1.457 1.00 0.00 H new ATOM 717 N TYR A 50 -6.592 -1.551 1.877 1.00 0.00 N ATOM 718 CA TYR A 50 -5.377 -2.197 2.359 1.00 0.00 C ATOM 719 C TYR A 50 -4.517 -1.218 3.151 1.00 0.00 C ATOM 720 O TYR A 50 -4.601 -0.005 2.960 1.00 0.00 O ATOM 721 CB TYR A 50 -4.576 -2.764 1.185 1.00 0.00 C ATOM 722 CG TYR A 50 -5.272 -3.898 0.468 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.336 -5.167 1.031 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.866 -3.701 -0.772 1.00 0.00 C ATOM 725 CE1 TYR A 50 -5.971 -6.206 0.379 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.504 -4.734 -1.431 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.553 -5.985 -0.852 1.00 0.00 C ATOM 728 OH TYR A 50 -7.187 -7.017 -1.504 1.00 0.00 O ATOM 0 H TYR A 50 -6.468 -0.580 1.590 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.667 -3.014 3.020 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.376 -1.964 0.473 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.611 -3.115 1.550 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.882 -5.344 1.995 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.828 -2.723 -1.229 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.012 -7.186 0.831 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.962 -4.563 -2.394 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.544 -6.694 -2.358 1.00 0.00 H new ATOM 738 N ARG A 51 -3.689 -1.755 4.042 1.00 0.00 N ATOM 739 CA ARG A 51 -2.813 -0.929 4.865 1.00 0.00 C ATOM 740 C ARG A 51 -1.649 -0.384 4.042 1.00 0.00 C ATOM 741 O ARG A 51 -1.008 -1.120 3.292 1.00 0.00 O ATOM 742 CB ARG A 51 -2.280 -1.738 6.049 1.00 0.00 C ATOM 743 CG ARG A 51 -3.204 -1.732 7.256 1.00 0.00 C ATOM 744 CD ARG A 51 -2.430 -1.920 8.551 1.00 0.00 C ATOM 745 NE ARG A 51 -2.302 -3.329 8.913 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.336 -4.120 8.459 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.418 -3.641 7.630 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.286 -5.392 8.834 1.00 0.00 N ATOM 0 H ARG A 51 -3.607 -2.757 4.212 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.395 -0.087 5.241 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.118 -2.768 5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.309 -1.339 6.343 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.752 -0.790 7.292 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.943 -2.527 7.154 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.438 -1.481 8.447 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.933 -1.383 9.355 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.992 -3.728 9.549 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.453 -2.664 7.340 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.323 -4.250 7.283 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.990 -5.764 9.472 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.544 -5.998 8.484 1.00 0.00 H new ATOM 762 N ALA A 52 -1.382 0.909 4.189 1.00 0.00 N ATOM 763 CA ALA A 52 -0.295 1.552 3.461 1.00 0.00 C ATOM 764 C ALA A 52 0.259 2.741 4.240 1.00 0.00 C ATOM 765 O ALA A 52 -0.473 3.418 4.961 1.00 0.00 O ATOM 766 CB ALA A 52 -0.770 1.995 2.085 1.00 0.00 C ATOM 0 H ALA A 52 -1.903 1.532 4.806 1.00 0.00 H new ATOM 0 HA ALA A 52 0.508 0.825 3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.052 2.473 1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.111 1.127 1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.592 2.702 2.194 1.00 0.00 H new ATOM 772 N ARG A 53 1.556 2.988 4.088 1.00 0.00 N ATOM 773 CA ARG A 53 2.208 4.094 4.779 1.00 0.00 C ATOM 774 C ARG A 53 2.572 5.207 3.801 1.00 0.00 C ATOM 775 O ARG A 53 3.358 5.003 2.876 1.00 0.00 O ATOM 776 CB ARG A 53 3.466 3.603 5.499 1.00 0.00 C ATOM 777 CG ARG A 53 4.256 4.714 6.171 1.00 0.00 C ATOM 778 CD ARG A 53 5.400 4.159 7.005 1.00 0.00 C ATOM 779 NE ARG A 53 5.860 5.115 8.008 1.00 0.00 N ATOM 780 CZ ARG A 53 6.576 4.775 9.074 1.00 0.00 C ATOM 781 NH1 ARG A 53 6.911 3.508 9.275 1.00 0.00 N ATOM 782 NH2 ARG A 53 6.958 5.703 9.942 1.00 0.00 N ATOM 0 H ARG A 53 2.176 2.438 3.493 1.00 0.00 H new ATOM 0 HA ARG A 53 1.509 4.493 5.514 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.180 2.866 6.250 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.110 3.094 4.782 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.652 5.390 5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.592 5.301 6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.077 3.243 7.499 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.230 3.893 6.350 1.00 0.00 H new ATOM 0 HE ARG A 53 5.618 6.098 7.883 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.619 2.792 8.610 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.461 3.250 10.094 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.702 6.679 9.791 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.508 5.441 10.760 1.00 0.00 H new ATOM 796 N VAL A 54 1.993 6.386 4.012 1.00 0.00 N ATOM 797 CA VAL A 54 2.256 7.532 3.150 1.00 0.00 C ATOM 798 C VAL A 54 3.754 7.748 2.965 1.00 0.00 C ATOM 799 O VAL A 54 4.471 8.039 3.922 1.00 0.00 O ATOM 800 CB VAL A 54 1.629 8.818 3.719 1.00 0.00 C ATOM 801 CG1 VAL A 54 1.996 10.017 2.859 1.00 0.00 C ATOM 802 CG2 VAL A 54 0.119 8.671 3.828 1.00 0.00 C ATOM 0 H VAL A 54 1.339 6.572 4.772 1.00 0.00 H new ATOM 0 HA VAL A 54 1.802 7.312 2.184 1.00 0.00 H new ATOM 0 HB VAL A 54 2.028 8.984 4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.544 10.916 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.080 10.132 2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.628 9.863 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.308 9.589 4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.300 8.480 2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.119 7.838 4.490 1.00 0.00 H new ATOM 812 N GLU A 55 4.219 7.605 1.728 1.00 0.00 N ATOM 813 CA GLU A 55 5.633 7.785 1.418 1.00 0.00 C ATOM 814 C GLU A 55 5.915 9.218 0.978 1.00 0.00 C ATOM 815 O GLU A 55 6.956 9.788 1.307 1.00 0.00 O ATOM 816 CB GLU A 55 6.066 6.809 0.323 1.00 0.00 C ATOM 817 CG GLU A 55 6.021 5.352 0.753 1.00 0.00 C ATOM 818 CD GLU A 55 6.858 4.455 -0.138 1.00 0.00 C ATOM 819 OE1 GLU A 55 6.879 4.688 -1.364 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.492 3.519 0.392 1.00 0.00 O ATOM 0 H GLU A 55 3.638 7.365 0.925 1.00 0.00 H new ATOM 0 HA GLU A 55 6.206 7.582 2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.422 6.942 -0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.080 7.055 0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.375 5.269 1.781 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.988 5.006 0.743 1.00 0.00 H new ATOM 827 N LYS A 56 4.980 9.797 0.232 1.00 0.00 N ATOM 828 CA LYS A 56 5.126 11.164 -0.254 1.00 0.00 C ATOM 829 C LYS A 56 3.773 11.747 -0.651 1.00 0.00 C ATOM 830 O LYS A 56 3.062 11.182 -1.481 1.00 0.00 O ATOM 831 CB LYS A 56 6.080 11.203 -1.450 1.00 0.00 C ATOM 832 CG LYS A 56 5.766 12.308 -2.443 1.00 0.00 C ATOM 833 CD LYS A 56 6.894 12.496 -3.443 1.00 0.00 C ATOM 834 CE LYS A 56 6.421 13.239 -4.683 1.00 0.00 C ATOM 835 NZ LYS A 56 7.493 13.339 -5.713 1.00 0.00 N ATOM 0 H LYS A 56 4.112 9.340 -0.049 1.00 0.00 H new ATOM 0 HA LYS A 56 5.540 11.768 0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.100 11.332 -1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.044 10.243 -1.964 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.844 12.070 -2.974 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.594 13.242 -1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.708 13.049 -2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.293 11.523 -3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.557 12.726 -5.106 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.092 14.240 -4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.131 13.852 -6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.308 13.851 -5.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.790 12.384 -5.999 1.00 0.00 H new ATOM 849 N VAL A 57 3.425 12.882 -0.052 1.00 0.00 N ATOM 850 CA VAL A 57 2.159 13.543 -0.345 1.00 0.00 C ATOM 851 C VAL A 57 2.356 14.702 -1.316 1.00 0.00 C ATOM 852 O VAL A 57 2.875 15.754 -0.944 1.00 0.00 O ATOM 853 CB VAL A 57 1.491 14.071 0.939 1.00 0.00 C ATOM 854 CG1 VAL A 57 0.166 14.743 0.614 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.295 12.943 1.940 1.00 0.00 C ATOM 0 H VAL A 57 4.002 13.362 0.639 1.00 0.00 H new ATOM 0 HA VAL A 57 1.510 12.796 -0.802 1.00 0.00 H new ATOM 0 HB VAL A 57 2.147 14.815 1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.291 15.110 1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.339 15.579 -0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.501 14.023 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.822 13.334 2.841 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.660 12.174 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.263 12.512 2.196 1.00 0.00 H new ATOM 865 N GLU A 58 1.937 14.501 -2.562 1.00 0.00 N ATOM 866 CA GLU A 58 2.068 15.530 -3.586 1.00 0.00 C ATOM 867 C GLU A 58 0.897 16.506 -3.530 1.00 0.00 C ATOM 868 O GLU A 58 1.070 17.683 -3.216 1.00 0.00 O ATOM 869 CB GLU A 58 2.148 14.891 -4.975 1.00 0.00 C ATOM 870 CG GLU A 58 3.544 14.424 -5.350 1.00 0.00 C ATOM 871 CD GLU A 58 4.385 15.529 -5.958 1.00 0.00 C ATOM 872 OE1 GLU A 58 4.801 16.438 -5.210 1.00 0.00 O ATOM 873 OE2 GLU A 58 4.628 15.485 -7.182 1.00 0.00 O ATOM 0 H GLU A 58 1.505 13.636 -2.886 1.00 0.00 H new ATOM 0 HA GLU A 58 2.988 16.082 -3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.467 14.041 -5.015 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.803 15.611 -5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.045 14.038 -4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.469 13.598 -6.058 1.00 0.00 H new ATOM 880 N SER A 59 -0.297 16.007 -3.837 1.00 0.00 N ATOM 881 CA SER A 59 -1.497 16.835 -3.826 1.00 0.00 C ATOM 882 C SER A 59 -2.720 16.015 -3.427 1.00 0.00 C ATOM 883 O SER A 59 -2.715 14.784 -3.471 1.00 0.00 O ATOM 884 CB SER A 59 -1.719 17.466 -5.202 1.00 0.00 C ATOM 885 OG SER A 59 -0.490 17.661 -5.879 1.00 0.00 O ATOM 0 H SER A 59 -0.458 15.034 -4.096 1.00 0.00 H new ATOM 0 HA SER A 59 -1.356 17.626 -3.089 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.368 16.825 -5.799 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.231 18.422 -5.089 1.00 0.00 H new ATOM 0 HG SER A 59 -0.660 18.064 -6.756 1.00 0.00 H new ATOM 891 N PRO A 60 -3.794 16.711 -3.027 1.00 0.00 N ATOM 892 CA PRO A 60 -5.044 16.069 -2.612 1.00 0.00 C ATOM 893 C PRO A 60 -5.503 15.001 -3.600 1.00 0.00 C ATOM 894 O PRO A 60 -6.339 14.159 -3.273 1.00 0.00 O ATOM 895 CB PRO A 60 -6.043 17.228 -2.576 1.00 0.00 C ATOM 896 CG PRO A 60 -5.210 18.439 -2.332 1.00 0.00 C ATOM 897 CD PRO A 60 -3.870 18.180 -2.949 1.00 0.00 C ATOM 0 HA PRO A 60 -4.939 15.549 -1.660 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.591 17.307 -3.515 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.781 17.090 -1.786 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.674 19.321 -2.773 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.112 18.631 -1.264 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.789 18.637 -3.935 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.064 18.590 -2.341 1.00 0.00 H new ATOM 905 N ALA A 61 -4.951 15.043 -4.808 1.00 0.00 N ATOM 906 CA ALA A 61 -5.301 14.077 -5.842 1.00 0.00 C ATOM 907 C ALA A 61 -4.178 13.069 -6.055 1.00 0.00 C ATOM 908 O ALA A 61 -4.402 11.973 -6.570 1.00 0.00 O ATOM 909 CB ALA A 61 -5.625 14.793 -7.144 1.00 0.00 C ATOM 0 H ALA A 61 -4.259 15.736 -5.095 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.184 13.531 -5.511 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.885 14.060 -7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.466 15.468 -6.988 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.756 15.365 -7.471 1.00 0.00 H new ATOM 915 N LYS A 62 -2.967 13.445 -5.656 1.00 0.00 N ATOM 916 CA LYS A 62 -1.807 12.574 -5.803 1.00 0.00 C ATOM 917 C LYS A 62 -1.127 12.343 -4.458 1.00 0.00 C ATOM 918 O LYS A 62 -0.540 13.260 -3.883 1.00 0.00 O ATOM 919 CB LYS A 62 -0.810 13.181 -6.793 1.00 0.00 C ATOM 920 CG LYS A 62 -1.275 13.120 -8.238 1.00 0.00 C ATOM 921 CD LYS A 62 -0.100 13.061 -9.200 1.00 0.00 C ATOM 922 CE LYS A 62 -0.516 12.508 -10.555 1.00 0.00 C ATOM 923 NZ LYS A 62 0.625 12.467 -11.510 1.00 0.00 N ATOM 0 H LYS A 62 -2.764 14.348 -5.228 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.151 11.613 -6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.629 14.221 -6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.142 12.658 -6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.908 12.244 -8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.886 13.994 -8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.319 14.059 -9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.687 12.437 -8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.921 11.504 -10.429 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.314 13.124 -10.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.301 12.084 -12.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.995 13.429 -11.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.377 11.859 -11.127 1.00 0.00 H new ATOM 937 N ILE A 63 -1.208 11.113 -3.962 1.00 0.00 N ATOM 938 CA ILE A 63 -0.598 10.762 -2.686 1.00 0.00 C ATOM 939 C ILE A 63 0.201 9.468 -2.797 1.00 0.00 C ATOM 940 O ILE A 63 -0.368 8.382 -2.916 1.00 0.00 O ATOM 941 CB ILE A 63 -1.658 10.604 -1.580 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.745 11.670 -1.729 1.00 0.00 C ATOM 943 CG2 ILE A 63 -1.007 10.692 -0.207 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.319 13.040 -1.248 1.00 0.00 C ATOM 0 H ILE A 63 -1.690 10.343 -4.425 1.00 0.00 H new ATOM 0 HA ILE A 63 0.073 11.579 -2.421 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.122 9.623 -1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.036 11.736 -2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.628 11.357 -1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.768 10.579 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.266 9.900 -0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.520 11.661 -0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.139 13.745 -1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.056 12.989 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.455 13.374 -1.822 1.00 0.00 H new ATOM 956 N HIS A 64 1.524 9.590 -2.754 1.00 0.00 N ATOM 957 CA HIS A 64 2.403 8.430 -2.847 1.00 0.00 C ATOM 958 C HIS A 64 2.329 7.590 -1.575 1.00 0.00 C ATOM 959 O HIS A 64 2.565 8.088 -0.475 1.00 0.00 O ATOM 960 CB HIS A 64 3.845 8.874 -3.095 1.00 0.00 C ATOM 961 CG HIS A 64 4.011 9.704 -4.331 1.00 0.00 C ATOM 962 ND1 HIS A 64 4.918 9.401 -5.325 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.379 10.831 -4.733 1.00 0.00 C ATOM 964 CE1 HIS A 64 4.838 10.307 -6.283 1.00 0.00 C ATOM 965 NE2 HIS A 64 3.910 11.186 -5.948 1.00 0.00 N ATOM 0 H HIS A 64 2.011 10.481 -2.655 1.00 0.00 H new ATOM 0 HA HIS A 64 2.070 7.819 -3.686 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.194 9.445 -2.234 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.480 7.992 -3.172 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.552 8.602 -5.321 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.601 11.354 -4.197 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.430 10.326 -7.186 1.00 0.00 H new ATOM 973 N VAL A 65 1.999 6.312 -1.735 1.00 0.00 N ATOM 974 CA VAL A 65 1.895 5.402 -0.600 1.00 0.00 C ATOM 975 C VAL A 65 2.484 4.037 -0.935 1.00 0.00 C ATOM 976 O VAL A 65 2.668 3.697 -2.104 1.00 0.00 O ATOM 977 CB VAL A 65 0.430 5.222 -0.158 1.00 0.00 C ATOM 978 CG1 VAL A 65 -0.031 6.418 0.661 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.469 5.015 -1.367 1.00 0.00 C ATOM 0 H VAL A 65 1.799 5.884 -2.639 1.00 0.00 H new ATOM 0 HA VAL A 65 2.462 5.849 0.217 1.00 0.00 H new ATOM 0 HB VAL A 65 0.364 4.334 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.068 6.273 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.596 6.516 1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.048 7.323 0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.500 4.890 -1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.401 5.882 -2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.151 4.124 -1.909 1.00 0.00 H new ATOM 989 N PHE A 66 2.778 3.256 0.100 1.00 0.00 N ATOM 990 CA PHE A 66 3.348 1.926 -0.083 1.00 0.00 C ATOM 991 C PHE A 66 2.588 0.891 0.741 1.00 0.00 C ATOM 992 O PHE A 66 2.551 0.965 1.969 1.00 0.00 O ATOM 993 CB PHE A 66 4.827 1.923 0.310 1.00 0.00 C ATOM 994 CG PHE A 66 5.359 0.555 0.628 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.666 -0.336 -0.388 1.00 0.00 C ATOM 996 CD2 PHE A 66 5.554 0.160 1.942 1.00 0.00 C ATOM 997 CE1 PHE A 66 6.156 -1.596 -0.098 1.00 0.00 C ATOM 998 CE2 PHE A 66 6.044 -1.098 2.237 1.00 0.00 C ATOM 999 CZ PHE A 66 6.346 -1.977 1.216 1.00 0.00 C ATOM 0 H PHE A 66 2.631 3.521 1.074 1.00 0.00 H new ATOM 0 HA PHE A 66 3.259 1.661 -1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.412 2.352 -0.504 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.966 2.569 1.177 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.521 -0.043 -1.417 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.320 0.843 2.745 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.390 -2.282 -0.899 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.191 -1.393 3.265 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.730 -2.960 1.444 1.00 0.00 H new ATOM 1009 N TYR A 67 1.984 -0.074 0.056 1.00 0.00 N ATOM 1010 CA TYR A 67 1.222 -1.123 0.723 1.00 0.00 C ATOM 1011 C TYR A 67 2.129 -1.978 1.603 1.00 0.00 C ATOM 1012 O TYR A 67 2.972 -2.725 1.104 1.00 0.00 O ATOM 1013 CB TYR A 67 0.516 -2.004 -0.309 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.575 -1.287 -1.072 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.266 -0.378 -2.077 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.915 -1.519 -0.789 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.259 0.279 -2.776 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -2.916 -0.867 -1.484 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.583 0.032 -2.476 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.575 0.684 -3.170 1.00 0.00 O ATOM 0 H TYR A 67 2.007 -0.151 -0.961 1.00 0.00 H new ATOM 0 HA TYR A 67 0.474 -0.647 1.357 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.254 -2.383 -1.016 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.086 -2.868 0.197 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.769 -0.182 -2.315 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.179 -2.221 -0.012 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.001 0.983 -3.554 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.953 -1.060 -1.252 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.451 0.396 -2.837 1.00 0.00 H new ATOM 1030 N ILE A 68 1.948 -1.864 2.914 1.00 0.00 N ATOM 1031 CA ILE A 68 2.747 -2.627 3.865 1.00 0.00 C ATOM 1032 C ILE A 68 2.180 -4.029 4.058 1.00 0.00 C ATOM 1033 O ILE A 68 2.493 -4.707 5.037 1.00 0.00 O ATOM 1034 CB ILE A 68 2.821 -1.922 5.232 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.510 -2.107 5.998 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.130 -0.443 5.049 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.537 -1.525 7.393 1.00 0.00 C ATOM 0 H ILE A 68 1.255 -1.250 3.342 1.00 0.00 H new ATOM 0 HA ILE A 68 3.752 -2.698 3.448 1.00 0.00 H new ATOM 0 HB ILE A 68 3.626 -2.372 5.813 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.701 -1.642 5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.283 -3.171 6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.179 0.042 6.024 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.087 -0.332 4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.345 0.022 4.452 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.575 -1.693 7.876 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.324 -2.007 7.973 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.732 -0.454 7.337 1.00 0.00 H new ATOM 1049 N ASP A 69 1.345 -4.459 3.118 1.00 0.00 N ATOM 1050 CA ASP A 69 0.736 -5.782 3.184 1.00 0.00 C ATOM 1051 C ASP A 69 1.270 -6.682 2.074 1.00 0.00 C ATOM 1052 O ASP A 69 1.430 -7.888 2.261 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.786 -5.672 3.080 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.353 -4.602 3.992 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -0.823 -4.435 5.110 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -2.327 -3.932 3.588 1.00 0.00 O ATOM 0 H ASP A 69 1.075 -3.910 2.302 1.00 0.00 H new ATOM 0 HA ASP A 69 0.996 -6.227 4.145 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.062 -5.450 2.049 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.235 -6.633 3.330 1.00 0.00 H new ATOM 1061 N TYR A 70 1.544 -6.087 0.918 1.00 0.00 N ATOM 1062 CA TYR A 70 2.057 -6.835 -0.224 1.00 0.00 C ATOM 1063 C TYR A 70 3.469 -6.381 -0.583 1.00 0.00 C ATOM 1064 O TYR A 70 4.314 -7.188 -0.966 1.00 0.00 O ATOM 1065 CB TYR A 70 1.132 -6.664 -1.430 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.308 -7.026 -1.145 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -1.098 -6.225 -0.329 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -0.879 -8.169 -1.692 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.414 -6.553 -0.066 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -2.194 -8.504 -1.435 1.00 0.00 C ATOM 1071 CZ TYR A 70 -2.957 -7.693 -0.621 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.268 -8.022 -0.362 1.00 0.00 O ATOM 0 H TYR A 70 1.419 -5.089 0.747 1.00 0.00 H new ATOM 0 HA TYR A 70 2.093 -7.889 0.051 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.177 -5.629 -1.768 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.498 -7.283 -2.249 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.676 -5.331 0.107 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.284 -8.806 -2.329 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.014 -5.920 0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.622 -9.396 -1.869 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.827 -7.220 -0.436 1.00 0.00 H new ATOM 1082 N GLY A 71 3.715 -5.080 -0.455 1.00 0.00 N ATOM 1083 CA GLY A 71 5.025 -4.540 -0.769 1.00 0.00 C ATOM 1084 C GLY A 71 5.054 -3.833 -2.110 1.00 0.00 C ATOM 1085 O GLY A 71 5.985 -4.014 -2.894 1.00 0.00 O ATOM 0 H GLY A 71 3.031 -4.392 -0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.324 -3.842 0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.757 -5.348 -0.772 1.00 0.00 H new ATOM 1089 N ASN A 72 4.031 -3.027 -2.375 1.00 0.00 N ATOM 1090 CA ASN A 72 3.943 -2.292 -3.632 1.00 0.00 C ATOM 1091 C ASN A 72 3.619 -0.822 -3.381 1.00 0.00 C ATOM 1092 O ASN A 72 3.119 -0.459 -2.316 1.00 0.00 O ATOM 1093 CB ASN A 72 2.876 -2.914 -4.535 1.00 0.00 C ATOM 1094 CG ASN A 72 1.503 -2.916 -3.892 1.00 0.00 C ATOM 1095 OD1 ASN A 72 1.252 -3.657 -2.941 1.00 0.00 O ATOM 1096 ND2 ASN A 72 0.606 -2.085 -4.409 1.00 0.00 N ATOM 0 H ASN A 72 3.252 -2.866 -1.737 1.00 0.00 H new ATOM 0 HA ASN A 72 4.911 -2.352 -4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.833 -2.363 -5.475 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.162 -3.937 -4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.335 -2.043 -4.018 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.858 -1.489 -5.197 1.00 0.00 H new ATOM 1103 N ARG A 73 3.907 0.018 -4.369 1.00 0.00 N ATOM 1104 CA ARG A 73 3.648 1.448 -4.256 1.00 0.00 C ATOM 1105 C ARG A 73 2.642 1.903 -5.309 1.00 0.00 C ATOM 1106 O ARG A 73 2.537 1.305 -6.380 1.00 0.00 O ATOM 1107 CB ARG A 73 4.950 2.238 -4.405 1.00 0.00 C ATOM 1108 CG ARG A 73 5.986 1.910 -3.342 1.00 0.00 C ATOM 1109 CD ARG A 73 6.823 0.703 -3.734 1.00 0.00 C ATOM 1110 NE ARG A 73 7.974 1.077 -4.552 1.00 0.00 N ATOM 1111 CZ ARG A 73 8.970 1.838 -4.114 1.00 0.00 C ATOM 1112 NH1 ARG A 73 8.958 2.302 -2.872 1.00 0.00 N ATOM 1113 NH2 ARG A 73 9.983 2.135 -4.919 1.00 0.00 N ATOM 0 H ARG A 73 4.320 -0.267 -5.257 1.00 0.00 H new ATOM 0 HA ARG A 73 3.227 1.638 -3.269 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.375 2.039 -5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.725 3.304 -4.365 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.637 2.771 -3.189 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.486 1.715 -2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.168 0.194 -2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.203 -0.005 -4.283 1.00 0.00 H new ATOM 0 HE ARG A 73 8.015 0.735 -5.512 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.182 2.075 -2.250 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.725 2.886 -2.538 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.996 1.779 -5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.748 2.720 -4.582 1.00 0.00 H new ATOM 1127 N GLU A 74 1.904 2.964 -4.996 1.00 0.00 N ATOM 1128 CA GLU A 74 0.906 3.497 -5.915 1.00 0.00 C ATOM 1129 C GLU A 74 0.505 4.916 -5.520 1.00 0.00 C ATOM 1130 O GLU A 74 0.296 5.209 -4.343 1.00 0.00 O ATOM 1131 CB GLU A 74 -0.330 2.595 -5.941 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.381 3.031 -6.948 1.00 0.00 C ATOM 1133 CD GLU A 74 -0.994 2.699 -8.376 1.00 0.00 C ATOM 1134 OE1 GLU A 74 -1.114 1.518 -8.763 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -0.572 3.620 -9.106 1.00 0.00 O ATOM 0 H GLU A 74 1.979 3.470 -4.114 1.00 0.00 H new ATOM 0 HA GLU A 74 1.347 3.526 -6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.020 1.575 -6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.777 2.577 -4.947 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.329 2.548 -6.711 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.540 4.106 -6.859 1.00 0.00 H new ATOM 1142 N VAL A 75 0.401 5.793 -6.513 1.00 0.00 N ATOM 1143 CA VAL A 75 0.025 7.181 -6.271 1.00 0.00 C ATOM 1144 C VAL A 75 -1.488 7.359 -6.329 1.00 0.00 C ATOM 1145 O VAL A 75 -2.068 7.491 -7.408 1.00 0.00 O ATOM 1146 CB VAL A 75 0.682 8.127 -7.294 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.296 9.571 -7.010 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.194 7.958 -7.281 1.00 0.00 C ATOM 0 H VAL A 75 0.572 5.567 -7.493 1.00 0.00 H new ATOM 0 HA VAL A 75 0.380 7.435 -5.272 1.00 0.00 H new ATOM 0 HB VAL A 75 0.319 7.868 -8.289 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.769 10.225 -7.742 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.787 9.678 -7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.629 9.846 -6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.642 8.634 -8.010 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.577 8.190 -6.287 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.447 6.929 -7.537 1.00 0.00 H new ATOM 1158 N LEU A 76 -2.123 7.363 -5.162 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.570 7.525 -5.079 1.00 0.00 C ATOM 1160 C LEU A 76 -3.932 8.839 -4.394 1.00 0.00 C ATOM 1161 O LEU A 76 -3.181 9.368 -3.575 1.00 0.00 O ATOM 1162 CB LEU A 76 -4.192 6.353 -4.319 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.710 4.959 -4.724 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -3.787 4.004 -3.543 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.528 4.431 -5.894 1.00 0.00 C ATOM 0 H LEU A 76 -1.658 7.256 -4.260 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.967 7.543 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.994 6.489 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.273 6.394 -4.450 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.669 5.032 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.440 3.017 -3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.158 4.374 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.819 3.935 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.171 3.438 -6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.578 4.373 -5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.421 5.103 -6.745 1.00 0.00 H new ATOM 1177 N PRO A 77 -5.111 9.380 -4.736 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.601 10.637 -4.164 1.00 0.00 C ATOM 1179 C PRO A 77 -5.980 10.496 -2.694 1.00 0.00 C ATOM 1180 O PRO A 77 -5.969 9.396 -2.143 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.839 10.952 -5.008 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.300 9.629 -5.513 1.00 0.00 C ATOM 1183 CD PRO A 77 -6.057 8.804 -5.707 1.00 0.00 C ATOM 0 HA PRO A 77 -4.842 11.419 -4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.611 11.439 -4.412 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.597 11.627 -5.829 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.977 9.154 -4.802 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.847 9.738 -6.450 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.241 7.748 -5.511 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.681 8.878 -6.727 1.00 0.00 H new ATOM 1191 N SER A 78 -6.317 11.617 -2.064 1.00 0.00 N ATOM 1192 CA SER A 78 -6.697 11.619 -0.656 1.00 0.00 C ATOM 1193 C SER A 78 -8.114 11.083 -0.475 1.00 0.00 C ATOM 1194 O SER A 78 -8.646 11.062 0.635 1.00 0.00 O ATOM 1195 CB SER A 78 -6.596 13.033 -0.080 1.00 0.00 C ATOM 1196 OG SER A 78 -7.254 13.121 1.172 1.00 0.00 O ATOM 0 H SER A 78 -6.335 12.536 -2.507 1.00 0.00 H new ATOM 0 HA SER A 78 -6.009 10.966 -0.119 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.548 13.308 0.036 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.037 13.746 -0.777 1.00 0.00 H new ATOM 0 HG SER A 78 -7.584 12.235 1.431 1.00 0.00 H new ATOM 1202 N THR A 79 -8.721 10.651 -1.576 1.00 0.00 N ATOM 1203 CA THR A 79 -10.077 10.116 -1.541 1.00 0.00 C ATOM 1204 C THR A 79 -10.072 8.624 -1.227 1.00 0.00 C ATOM 1205 O THR A 79 -10.919 8.135 -0.480 1.00 0.00 O ATOM 1206 CB THR A 79 -10.806 10.346 -2.878 1.00 0.00 C ATOM 1207 OG1 THR A 79 -10.015 9.840 -3.960 1.00 0.00 O ATOM 1208 CG2 THR A 79 -11.085 11.825 -3.096 1.00 0.00 C ATOM 0 H THR A 79 -8.295 10.661 -2.503 1.00 0.00 H new ATOM 0 HA THR A 79 -10.607 10.648 -0.751 1.00 0.00 H new ATOM 0 HB THR A 79 -11.757 9.815 -2.844 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.486 9.988 -4.807 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.600 11.962 -4.047 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.711 12.200 -2.287 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.144 12.374 -3.111 1.00 0.00 H new ATOM 1216 N ARG A 80 -9.112 7.907 -1.802 1.00 0.00 N ATOM 1217 CA ARG A 80 -8.997 6.470 -1.584 1.00 0.00 C ATOM 1218 C ARG A 80 -8.306 6.175 -0.256 1.00 0.00 C ATOM 1219 O ARG A 80 -8.161 5.017 0.137 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.221 5.819 -2.731 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.317 6.582 -4.041 1.00 0.00 C ATOM 1222 CD ARG A 80 -8.076 5.671 -5.235 1.00 0.00 C ATOM 1223 NE ARG A 80 -8.562 6.260 -6.480 1.00 0.00 N ATOM 1224 CZ ARG A 80 -8.595 5.609 -7.637 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -8.173 4.354 -7.708 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -9.051 6.214 -8.727 1.00 0.00 N ATOM 0 H ARG A 80 -8.403 8.298 -2.422 1.00 0.00 H new ATOM 0 HA ARG A 80 -10.003 6.051 -1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.172 5.733 -2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.594 4.806 -2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.302 7.041 -4.125 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.587 7.391 -4.046 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.009 5.464 -5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.573 4.715 -5.068 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.894 7.224 -6.460 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.822 3.886 -6.873 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.200 3.857 -8.598 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.376 7.179 -8.676 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.076 5.713 -9.615 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.881 7.230 0.431 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.204 7.085 1.715 1.00 0.00 C ATOM 1242 C LEU A 81 -8.159 7.373 2.869 1.00 0.00 C ATOM 1243 O LEU A 81 -8.949 8.313 2.815 1.00 0.00 O ATOM 1244 CB LEU A 81 -6.000 8.026 1.788 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.932 7.834 0.710 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.877 8.925 0.804 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.292 6.459 0.832 1.00 0.00 C ATOM 0 H LEU A 81 -7.993 8.195 0.120 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.858 6.055 1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.363 9.052 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.529 7.906 2.764 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.412 7.904 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.125 8.772 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.347 9.899 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.401 8.887 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.535 6.340 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.826 6.360 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.056 5.690 0.714 1.00 0.00 H new ATOM 1259 N GLY A 82 -8.078 6.555 3.915 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.939 6.740 5.069 1.00 0.00 C ATOM 1261 C GLY A 82 -8.215 6.494 6.377 1.00 0.00 C ATOM 1262 O GLY A 82 -7.079 6.018 6.388 1.00 0.00 O ATOM 0 H GLY A 82 -7.432 5.768 3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.337 7.755 5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.790 6.063 4.996 1.00 0.00 H new ATOM 1266 N THR A 83 -8.872 6.820 7.486 1.00 0.00 N ATOM 1267 CA THR A 83 -8.283 6.634 8.806 1.00 0.00 C ATOM 1268 C THR A 83 -8.166 5.154 9.153 1.00 0.00 C ATOM 1269 O THR A 83 -9.171 4.449 9.258 1.00 0.00 O ATOM 1270 CB THR A 83 -9.112 7.341 9.895 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.602 8.593 9.403 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.277 7.574 11.145 1.00 0.00 C ATOM 0 H THR A 83 -9.813 7.214 7.496 1.00 0.00 H new ATOM 0 HA THR A 83 -7.287 7.076 8.773 1.00 0.00 H new ATOM 0 HB THR A 83 -9.954 6.698 10.154 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.129 9.035 10.101 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.884 8.074 11.900 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.930 6.617 11.534 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.418 8.198 10.898 1.00 0.00 H new ATOM 1280 N LEU A 84 -6.935 4.689 9.331 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.687 3.291 9.668 1.00 0.00 C ATOM 1282 C LEU A 84 -7.068 3.004 11.116 1.00 0.00 C ATOM 1283 O LEU A 84 -6.452 3.525 12.046 1.00 0.00 O ATOM 1284 CB LEU A 84 -5.214 2.945 9.438 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.739 1.613 10.020 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.371 0.448 9.274 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -3.221 1.520 9.970 1.00 0.00 C ATOM 0 H LEU A 84 -6.093 5.259 9.248 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.306 2.671 9.019 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.027 2.937 8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.604 3.742 9.862 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.052 1.562 11.063 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.021 -0.491 9.702 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.456 0.505 9.362 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.090 0.494 8.222 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.901 0.566 10.388 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.886 1.593 8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.787 2.334 10.551 1.00 0.00 H new ATOM 1299 N SER A 85 -8.086 2.169 11.301 1.00 0.00 N ATOM 1300 CA SER A 85 -8.551 1.813 12.636 1.00 0.00 C ATOM 1301 C SER A 85 -7.437 1.148 13.439 1.00 0.00 C ATOM 1302 O SER A 85 -6.608 0.410 12.907 1.00 0.00 O ATOM 1303 CB SER A 85 -9.759 0.879 12.547 1.00 0.00 C ATOM 1304 OG SER A 85 -10.152 0.430 13.832 1.00 0.00 O ATOM 0 H SER A 85 -8.605 1.726 10.542 1.00 0.00 H new ATOM 0 HA SER A 85 -8.847 2.729 13.147 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.590 1.399 12.070 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.515 0.023 11.918 1.00 0.00 H new ATOM 0 HG SER A 85 -10.927 -0.164 13.748 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.416 1.415 14.754 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.410 0.853 15.660 1.00 0.00 C ATOM 1312 C PRO A 86 -6.592 -0.647 15.868 1.00 0.00 C ATOM 1313 O PRO A 86 -5.679 -1.334 16.325 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.651 1.607 16.970 1.00 0.00 C ATOM 1315 CG PRO A 86 -8.080 2.026 16.908 1.00 0.00 C ATOM 1316 CD PRO A 86 -8.373 2.287 15.456 1.00 0.00 C ATOM 0 HA PRO A 86 -5.399 0.966 15.267 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.462 0.970 17.834 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.989 2.469 17.059 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.732 1.248 17.304 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.251 2.920 17.507 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.404 2.039 15.203 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.225 3.336 15.198 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.775 -1.148 15.529 1.00 0.00 N ATOM 1325 CA ALA A 87 -8.074 -2.567 15.676 1.00 0.00 C ATOM 1326 C ALA A 87 -7.511 -3.371 14.509 1.00 0.00 C ATOM 1327 O ALA A 87 -7.219 -4.559 14.645 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.576 -2.780 15.790 1.00 0.00 C ATOM 0 H ALA A 87 -8.542 -0.592 15.151 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.597 -2.921 16.590 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.785 -3.844 15.899 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.954 -2.244 16.661 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.066 -2.404 14.892 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.361 -2.716 13.363 1.00 0.00 N ATOM 1335 CA PHE A 88 -6.834 -3.371 12.171 1.00 0.00 C ATOM 1336 C PHE A 88 -5.415 -2.896 11.872 1.00 0.00 C ATOM 1337 O PHE A 88 -4.705 -3.497 11.067 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.740 -3.096 10.969 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.200 -3.299 11.260 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.646 -4.473 11.845 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -10.125 -2.317 10.947 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -10.989 -4.663 12.114 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.469 -2.501 11.214 1.00 0.00 C ATOM 1344 CZ PHE A 88 -11.901 -3.676 11.797 1.00 0.00 C ATOM 0 H PHE A 88 -7.597 -1.732 13.234 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.807 -4.444 12.359 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.584 -2.071 10.633 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.447 -3.749 10.147 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.937 -5.249 12.094 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.793 -1.397 10.489 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.324 -5.582 12.571 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.180 -1.727 10.967 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.951 -3.823 12.005 1.00 0.00 H new ATOM 1354 N SER A 89 -5.010 -1.813 12.527 1.00 0.00 N ATOM 1355 CA SER A 89 -3.678 -1.253 12.329 1.00 0.00 C ATOM 1356 C SER A 89 -2.609 -2.334 12.465 1.00 0.00 C ATOM 1357 O SER A 89 -2.743 -3.259 13.267 1.00 0.00 O ATOM 1358 CB SER A 89 -3.417 -0.132 13.337 1.00 0.00 C ATOM 1359 OG SER A 89 -4.239 0.991 13.074 1.00 0.00 O ATOM 0 H SER A 89 -5.585 -1.306 13.200 1.00 0.00 H new ATOM 0 HA SER A 89 -3.630 -0.843 11.320 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.605 -0.496 14.347 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.368 0.163 13.294 1.00 0.00 H new ATOM 0 HG SER A 89 -5.168 0.698 12.968 1.00 0.00 H new ATOM 1365 N THR A 90 -1.547 -2.210 11.675 1.00 0.00 N ATOM 1366 CA THR A 90 -0.456 -3.175 11.705 1.00 0.00 C ATOM 1367 C THR A 90 0.033 -3.408 13.130 1.00 0.00 C ATOM 1368 O THR A 90 0.700 -4.404 13.412 1.00 0.00 O ATOM 1369 CB THR A 90 0.729 -2.710 10.837 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.779 -3.683 10.879 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.257 -1.366 11.317 1.00 0.00 C ATOM 0 H THR A 90 -1.420 -1.450 11.006 1.00 0.00 H new ATOM 0 HA THR A 90 -0.848 -4.108 11.301 1.00 0.00 H new ATOM 0 HB THR A 90 0.378 -2.599 9.811 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.602 -4.325 11.598 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.093 -1.058 10.689 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.464 -0.621 11.256 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.593 -1.455 12.350 1.00 0.00 H new ATOM 1379 N ARG A 91 -0.302 -2.484 14.024 1.00 0.00 N ATOM 1380 CA ARG A 91 0.103 -2.589 15.420 1.00 0.00 C ATOM 1381 C ARG A 91 -0.188 -3.983 15.967 1.00 0.00 C ATOM 1382 O ARG A 91 0.451 -4.435 16.918 1.00 0.00 O ATOM 1383 CB ARG A 91 -0.619 -1.537 16.264 1.00 0.00 C ATOM 1384 CG ARG A 91 -0.014 -0.147 16.153 1.00 0.00 C ATOM 1385 CD ARG A 91 -0.822 0.876 16.937 1.00 0.00 C ATOM 1386 NE ARG A 91 -0.305 2.231 16.762 1.00 0.00 N ATOM 1387 CZ ARG A 91 -0.580 3.234 17.588 1.00 0.00 C ATOM 1388 NH1 ARG A 91 -1.363 3.036 18.640 1.00 0.00 N ATOM 1389 NH2 ARG A 91 -0.072 4.439 17.363 1.00 0.00 N ATOM 0 H ARG A 91 -0.853 -1.654 13.806 1.00 0.00 H new ATOM 0 HA ARG A 91 1.177 -2.413 15.474 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.665 -1.494 15.959 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.604 -1.848 17.308 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.011 -0.164 16.524 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.031 0.149 15.105 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.863 0.840 16.615 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.807 0.616 17.995 1.00 0.00 H new ATOM 0 HE ARG A 91 0.300 2.417 15.962 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.756 2.111 18.817 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.572 3.808 19.273 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.530 4.596 16.555 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.284 5.209 17.998 1.00 0.00 H new ATOM 1403 N VAL A 92 -1.158 -4.660 15.361 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.534 -6.003 15.787 1.00 0.00 C ATOM 1405 C VAL A 92 -0.840 -7.063 14.940 1.00 0.00 C ATOM 1406 O VAL A 92 -0.423 -8.105 15.448 1.00 0.00 O ATOM 1407 CB VAL A 92 -3.058 -6.212 15.704 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.462 -7.489 16.426 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -3.793 -5.010 16.277 1.00 0.00 C ATOM 0 H VAL A 92 -1.698 -4.301 14.574 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.216 -6.106 16.825 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.337 -6.312 14.655 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.542 -7.620 16.357 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.963 -8.341 15.965 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.171 -7.422 17.474 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.868 -5.175 16.210 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.511 -4.875 17.321 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.527 -4.117 15.711 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.717 -6.791 13.645 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.071 -7.721 12.725 1.00 0.00 C ATOM 1421 C LEU A 93 1.095 -7.053 12.005 1.00 0.00 C ATOM 1422 O LEU A 93 1.011 -5.904 11.569 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.083 -8.245 11.705 1.00 0.00 C ATOM 1424 CG LEU A 93 -0.694 -9.529 10.971 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -0.655 -10.704 11.936 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -1.661 -9.805 9.830 1.00 0.00 C ATOM 0 H LEU A 93 -1.056 -5.934 13.208 1.00 0.00 H new ATOM 0 HA LEU A 93 0.317 -8.558 13.306 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.030 -8.416 12.217 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.258 -7.465 10.964 1.00 0.00 H new ATOM 0 HG LEU A 93 0.303 -9.397 10.551 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.376 -11.609 11.396 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.078 -10.508 12.718 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.639 -10.838 12.386 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.369 -10.722 9.319 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.670 -9.917 10.227 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.638 -8.974 9.125 1.00 0.00 H new ATOM 1438 N PRO A 94 2.209 -7.788 11.874 1.00 0.00 N ATOM 1439 CA PRO A 94 3.413 -7.288 11.203 1.00 0.00 C ATOM 1440 C PRO A 94 3.219 -7.137 9.699 1.00 0.00 C ATOM 1441 O PRO A 94 2.566 -7.962 9.062 1.00 0.00 O ATOM 1442 CB PRO A 94 4.459 -8.365 11.502 1.00 0.00 C ATOM 1443 CG PRO A 94 3.668 -9.606 11.733 1.00 0.00 C ATOM 1444 CD PRO A 94 2.379 -9.164 12.369 1.00 0.00 C ATOM 0 HA PRO A 94 3.692 -6.294 11.554 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.152 -8.486 10.669 1.00 0.00 H new ATOM 0 HB3 PRO A 94 5.055 -8.106 12.377 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.481 -10.130 10.795 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.206 -10.297 12.382 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.546 -9.803 12.075 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.436 -9.196 13.457 1.00 0.00 H new ATOM 1452 N ALA A 95 3.790 -6.077 9.136 1.00 0.00 N ATOM 1453 CA ALA A 95 3.681 -5.819 7.706 1.00 0.00 C ATOM 1454 C ALA A 95 4.223 -6.991 6.894 1.00 0.00 C ATOM 1455 O ALA A 95 5.413 -7.299 6.951 1.00 0.00 O ATOM 1456 CB ALA A 95 4.417 -4.538 7.342 1.00 0.00 C ATOM 0 H ALA A 95 4.333 -5.383 9.649 1.00 0.00 H new ATOM 0 HA ALA A 95 2.625 -5.699 7.464 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.327 -4.358 6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.982 -3.701 7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.470 -4.636 7.606 1.00 0.00 H new ATOM 1462 N GLN A 96 3.342 -7.641 6.141 1.00 0.00 N ATOM 1463 CA GLN A 96 3.733 -8.780 5.319 1.00 0.00 C ATOM 1464 C GLN A 96 4.337 -8.316 3.997 1.00 0.00 C ATOM 1465 O GLN A 96 4.829 -9.124 3.211 1.00 0.00 O ATOM 1466 CB GLN A 96 2.527 -9.682 5.053 1.00 0.00 C ATOM 1467 CG GLN A 96 1.819 -10.140 6.319 1.00 0.00 C ATOM 1468 CD GLN A 96 2.709 -10.981 7.213 1.00 0.00 C ATOM 1469 OE1 GLN A 96 3.391 -11.894 6.748 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.706 -10.676 8.506 1.00 0.00 N ATOM 0 H GLN A 96 2.353 -7.399 6.083 1.00 0.00 H new ATOM 0 HA GLN A 96 4.488 -9.346 5.864 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.816 -9.148 4.422 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.855 -10.558 4.493 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.474 -9.268 6.874 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.934 -10.716 6.048 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.125 -9.911 8.848 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.285 -11.207 9.157 1.00 0.00 H new ATOM 1479 N ALA A 97 4.294 -7.009 3.759 1.00 0.00 N ATOM 1480 CA ALA A 97 4.838 -6.437 2.534 1.00 0.00 C ATOM 1481 C ALA A 97 6.271 -6.902 2.300 1.00 0.00 C ATOM 1482 O ALA A 97 7.028 -7.116 3.248 1.00 0.00 O ATOM 1483 CB ALA A 97 4.776 -4.918 2.587 1.00 0.00 C ATOM 0 H ALA A 97 3.888 -6.326 4.399 1.00 0.00 H new ATOM 0 HA ALA A 97 4.230 -6.785 1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.186 -4.505 1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.739 -4.600 2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.358 -4.559 3.436 1.00 0.00 H new ATOM 1489 N THR A 98 6.640 -7.057 1.032 1.00 0.00 N ATOM 1490 CA THR A 98 7.982 -7.499 0.675 1.00 0.00 C ATOM 1491 C THR A 98 8.964 -6.333 0.683 1.00 0.00 C ATOM 1492 O THR A 98 10.009 -6.396 1.330 1.00 0.00 O ATOM 1493 CB THR A 98 8.003 -8.163 -0.715 1.00 0.00 C ATOM 1494 OG1 THR A 98 7.429 -9.473 -0.641 1.00 0.00 O ATOM 1495 CG2 THR A 98 9.425 -8.256 -1.249 1.00 0.00 C ATOM 0 H THR A 98 6.028 -6.883 0.235 1.00 0.00 H new ATOM 0 HA THR A 98 8.284 -8.231 1.424 1.00 0.00 H new ATOM 0 HB THR A 98 7.416 -7.547 -1.396 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.445 -9.888 -1.529 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.415 -8.728 -2.231 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.849 -7.255 -1.332 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.032 -8.851 -0.567 1.00 0.00 H new ATOM 1503 N GLU A 99 8.621 -5.270 -0.037 1.00 0.00 N ATOM 1504 CA GLU A 99 9.475 -4.090 -0.112 1.00 0.00 C ATOM 1505 C GLU A 99 9.224 -3.162 1.073 1.00 0.00 C ATOM 1506 O GLU A 99 9.336 -1.942 0.954 1.00 0.00 O ATOM 1507 CB GLU A 99 9.231 -3.339 -1.422 1.00 0.00 C ATOM 1508 CG GLU A 99 9.682 -4.104 -2.655 1.00 0.00 C ATOM 1509 CD GLU A 99 9.524 -3.300 -3.931 1.00 0.00 C ATOM 1510 OE1 GLU A 99 8.370 -3.043 -4.332 1.00 0.00 O ATOM 1511 OE2 GLU A 99 10.555 -2.927 -4.528 1.00 0.00 O ATOM 0 H GLU A 99 7.758 -5.201 -0.577 1.00 0.00 H new ATOM 0 HA GLU A 99 10.513 -4.421 -0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.168 -3.117 -1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.754 -2.383 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.727 -4.391 -2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.106 -5.026 -2.737 1.00 0.00 H new ATOM 1518 N TYR A 100 8.885 -3.750 2.216 1.00 0.00 N ATOM 1519 CA TYR A 100 8.616 -2.976 3.422 1.00 0.00 C ATOM 1520 C TYR A 100 9.915 -2.542 4.092 1.00 0.00 C ATOM 1521 O TYR A 100 10.126 -1.358 4.354 1.00 0.00 O ATOM 1522 CB TYR A 100 7.774 -3.796 4.401 1.00 0.00 C ATOM 1523 CG TYR A 100 7.658 -3.170 5.772 1.00 0.00 C ATOM 1524 CD1 TYR A 100 6.738 -2.159 6.021 1.00 0.00 C ATOM 1525 CD2 TYR A 100 8.469 -3.590 6.820 1.00 0.00 C ATOM 1526 CE1 TYR A 100 6.630 -1.583 7.272 1.00 0.00 C ATOM 1527 CE2 TYR A 100 8.367 -3.021 8.075 1.00 0.00 C ATOM 1528 CZ TYR A 100 7.446 -2.018 8.296 1.00 0.00 C ATOM 1529 OH TYR A 100 7.341 -1.448 9.544 1.00 0.00 O ATOM 0 H TYR A 100 8.790 -4.759 2.332 1.00 0.00 H new ATOM 0 HA TYR A 100 8.061 -2.083 3.134 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.775 -3.928 3.986 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.212 -4.789 4.500 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.096 -1.817 5.222 1.00 0.00 H new ATOM 0 HD2 TYR A 100 9.191 -4.375 6.650 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.911 -0.797 7.447 1.00 0.00 H new ATOM 0 HE2 TYR A 100 9.005 -3.360 8.878 1.00 0.00 H new ATOM 0 HH TYR A 100 7.985 -1.868 10.151 1.00 0.00 H new ATOM 1539 N ALA A 101 10.784 -3.509 4.366 1.00 0.00 N ATOM 1540 CA ALA A 101 12.065 -3.228 5.003 1.00 0.00 C ATOM 1541 C ALA A 101 12.799 -2.101 4.285 1.00 0.00 C ATOM 1542 O ALA A 101 13.407 -1.238 4.920 1.00 0.00 O ATOM 1543 CB ALA A 101 12.924 -4.483 5.038 1.00 0.00 C ATOM 0 H ALA A 101 10.624 -4.494 4.157 1.00 0.00 H new ATOM 0 HA ALA A 101 11.871 -2.906 6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.877 -4.258 5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.409 -5.261 5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 101 13.102 -4.831 4.020 1.00 0.00 H new ATOM 1549 N PHE A 102 12.740 -2.114 2.958 1.00 0.00 N ATOM 1550 CA PHE A 102 13.401 -1.093 2.153 1.00 0.00 C ATOM 1551 C PHE A 102 12.419 0.003 1.751 1.00 0.00 C ATOM 1552 O PHE A 102 12.422 0.466 0.611 1.00 0.00 O ATOM 1553 CB PHE A 102 14.021 -1.722 0.903 1.00 0.00 C ATOM 1554 CG PHE A 102 15.169 -2.643 1.202 1.00 0.00 C ATOM 1555 CD1 PHE A 102 16.448 -2.142 1.385 1.00 0.00 C ATOM 1556 CD2 PHE A 102 14.969 -4.011 1.299 1.00 0.00 C ATOM 1557 CE1 PHE A 102 17.506 -2.987 1.660 1.00 0.00 C ATOM 1558 CE2 PHE A 102 16.023 -4.861 1.574 1.00 0.00 C ATOM 1559 CZ PHE A 102 17.294 -4.349 1.754 1.00 0.00 C ATOM 0 H PHE A 102 12.241 -2.820 2.417 1.00 0.00 H new ATOM 0 HA PHE A 102 14.191 -0.645 2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.252 -2.276 0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.365 -0.929 0.239 1.00 0.00 H new ATOM 0 HD1 PHE A 102 16.620 -1.078 1.312 1.00 0.00 H new ATOM 0 HD2 PHE A 102 13.978 -4.417 1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 102 18.498 -2.583 1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 102 15.854 -5.925 1.648 1.00 0.00 H new ATOM 0 HZ PHE A 102 18.119 -5.012 1.968 1.00 0.00 H new ATOM 1569 N ALA A 103 11.580 0.413 2.696 1.00 0.00 N ATOM 1570 CA ALA A 103 10.593 1.455 2.442 1.00 0.00 C ATOM 1571 C ALA A 103 10.777 2.630 3.398 1.00 0.00 C ATOM 1572 O ALA A 103 10.592 3.786 3.019 1.00 0.00 O ATOM 1573 CB ALA A 103 9.186 0.890 2.561 1.00 0.00 C ATOM 0 H ALA A 103 11.564 0.039 3.645 1.00 0.00 H new ATOM 0 HA ALA A 103 10.740 1.821 1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.459 1.679 2.369 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.053 0.089 1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.036 0.496 3.566 1.00 0.00 H new ATOM 1579 N PHE A 104 11.140 2.325 4.639 1.00 0.00 N ATOM 1580 CA PHE A 104 11.346 3.355 5.650 1.00 0.00 C ATOM 1581 C PHE A 104 12.567 3.038 6.509 1.00 0.00 C ATOM 1582 O PHE A 104 12.916 1.874 6.702 1.00 0.00 O ATOM 1583 CB PHE A 104 10.106 3.486 6.536 1.00 0.00 C ATOM 1584 CG PHE A 104 8.974 4.223 5.878 1.00 0.00 C ATOM 1585 CD1 PHE A 104 8.325 3.683 4.779 1.00 0.00 C ATOM 1586 CD2 PHE A 104 8.560 5.455 6.358 1.00 0.00 C ATOM 1587 CE1 PHE A 104 7.284 4.360 4.171 1.00 0.00 C ATOM 1588 CE2 PHE A 104 7.519 6.136 5.754 1.00 0.00 C ATOM 1589 CZ PHE A 104 6.880 5.587 4.660 1.00 0.00 C ATOM 0 H PHE A 104 11.298 1.373 4.969 1.00 0.00 H new ATOM 0 HA PHE A 104 11.520 4.301 5.138 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.765 2.490 6.819 1.00 0.00 H new ATOM 0 HB3 PHE A 104 10.379 4.003 7.456 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.636 2.723 4.393 1.00 0.00 H new ATOM 0 HD2 PHE A 104 9.056 5.889 7.214 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.787 3.930 3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.206 7.096 6.137 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.066 6.116 4.187 1.00 0.00 H new TER 1599 PHE A 104