USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 691 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 82 THR OG1 : rot -72:sc= 1.55 USER MOD Set 1.2: A 84 ASN : amide:sc= 0.779 K(o=2.3,f=0.68) USER MOD Set 2.1: A 51 SER OG : rot 54:sc= 1.58 USER MOD Set 2.2: A 77 LYS NZ :NH3+ 136:sc= 2.25! (180deg=-1.81!) USER MOD Set 3.1: A 66 GLN : amide:sc= 0.756 K(o=2.5,f=-20!) USER MOD Set 3.2: A 70 LYS NZ :NH3+ 166:sc= 1.72 (180deg=-0.332) USER MOD Set 4.1: A 45 GLN : amide:sc= 0.668 K(o=1.5,f=-6.7!) USER MOD Set 4.2: A 68 SER OG : rot -35:sc= 0.797! USER MOD Set 5.1: A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 9 SER OG : rot 25:sc= 1.21 USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.8 (180deg=-2.65!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00935 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 11 THR OG1 : rot -101:sc= 0.035 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 107:sc= 0.832 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.562 K(o=-0.56,f=-23!) USER MOD Single : A 44 SER OG : rot -170:sc= -0.381 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 79:sc= 1.05 USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= 1.55 (180deg=0.645) USER MOD Single : A 67 TYR OH : rot -85:sc= 1.28 USER MOD Single : A 73 CYS SG : rot 120:sc= -3.05! USER MOD Single : A 79 LYS NZ :NH3+ -122:sc= 1.95 (180deg=-0.917!) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.680 -28.214 -6.296 1.00 1.95 N ATOM 2 CA GLY A 1 12.161 -28.129 -6.077 1.00 2.35 C ATOM 3 C GLY A 1 12.823 -29.431 -6.536 1.00 2.44 C ATOM 4 O GLY A 1 12.496 -29.954 -7.583 1.00 2.26 O ATOM 0 H1 GLY A 1 10.185 -27.751 -5.507 1.00 1.95 H new ATOM 0 H2 GLY A 1 10.433 -27.738 -7.187 1.00 1.95 H new ATOM 0 H3 GLY A 1 10.393 -29.212 -6.346 1.00 1.95 H new ATOM 0 HA2 GLY A 1 12.573 -27.285 -6.630 1.00 2.35 H new ATOM 0 HA3 GLY A 1 12.373 -27.953 -5.022 1.00 2.35 H new ATOM 10 N SER A 2 13.735 -29.973 -5.753 1.00 2.82 N ATOM 11 CA SER A 2 14.395 -31.269 -6.143 1.00 2.97 C ATOM 12 C SER A 2 13.309 -32.296 -6.471 1.00 2.83 C ATOM 13 O SER A 2 13.284 -32.883 -7.535 1.00 2.80 O ATOM 14 CB SER A 2 15.205 -31.706 -4.913 1.00 3.39 C ATOM 15 OG SER A 2 14.410 -31.545 -3.742 1.00 3.90 O ATOM 0 H SER A 2 14.049 -29.577 -4.867 1.00 2.82 H new ATOM 0 HA SER A 2 15.038 -31.171 -7.018 1.00 2.97 H new ATOM 0 HB2 SER A 2 15.512 -32.747 -5.017 1.00 3.39 H new ATOM 0 HB3 SER A 2 16.115 -31.111 -4.833 1.00 3.39 H new ATOM 0 HG SER A 2 14.924 -31.825 -2.956 1.00 3.90 H new ATOM 21 N MET A 3 12.389 -32.469 -5.565 1.00 2.87 N ATOM 22 CA MET A 3 11.247 -33.407 -5.795 1.00 2.87 C ATOM 23 C MET A 3 10.051 -32.587 -6.289 1.00 2.59 C ATOM 24 O MET A 3 9.689 -31.598 -5.676 1.00 2.99 O ATOM 25 CB MET A 3 10.939 -34.034 -4.430 1.00 3.23 C ATOM 26 CG MET A 3 12.103 -34.928 -3.987 1.00 3.58 C ATOM 27 SD MET A 3 11.452 -36.487 -3.331 1.00 3.66 S ATOM 28 CE MET A 3 12.908 -37.515 -3.644 1.00 4.28 C ATOM 0 H MET A 3 12.376 -31.996 -4.662 1.00 2.87 H new ATOM 0 HA MET A 3 11.470 -34.178 -6.533 1.00 2.87 H new ATOM 0 HB2 MET A 3 10.770 -33.251 -3.691 1.00 3.23 H new ATOM 0 HB3 MET A 3 10.022 -34.620 -4.489 1.00 3.23 H new ATOM 0 HG2 MET A 3 12.766 -35.124 -4.830 1.00 3.58 H new ATOM 0 HG3 MET A 3 12.696 -34.421 -3.226 1.00 3.58 H new ATOM 0 HE1 MET A 3 12.714 -38.533 -3.307 1.00 4.28 H new ATOM 0 HE2 MET A 3 13.126 -37.522 -4.712 1.00 4.28 H new ATOM 0 HE3 MET A 3 13.763 -37.110 -3.102 1.00 4.28 H new ATOM 38 N SER A 4 9.453 -32.963 -7.395 1.00 2.16 N ATOM 39 CA SER A 4 8.298 -32.176 -7.937 1.00 1.94 C ATOM 40 C SER A 4 8.785 -30.779 -8.350 1.00 1.69 C ATOM 41 O SER A 4 8.879 -29.871 -7.544 1.00 1.66 O ATOM 42 CB SER A 4 7.277 -32.091 -6.797 1.00 2.03 C ATOM 43 OG SER A 4 5.985 -32.422 -7.292 1.00 2.16 O ATOM 0 H SER A 4 9.714 -33.781 -7.946 1.00 2.16 H new ATOM 0 HA SER A 4 7.854 -32.639 -8.818 1.00 1.94 H new ATOM 0 HB2 SER A 4 7.556 -32.772 -5.993 1.00 2.03 H new ATOM 0 HB3 SER A 4 7.270 -31.086 -6.375 1.00 2.03 H new ATOM 0 HG SER A 4 5.332 -32.369 -6.563 1.00 2.16 H new ATOM 49 N ILE A 5 9.113 -30.613 -9.603 1.00 1.63 N ATOM 50 CA ILE A 5 9.612 -29.287 -10.092 1.00 1.56 C ATOM 51 C ILE A 5 8.431 -28.329 -10.335 1.00 1.39 C ATOM 52 O ILE A 5 7.324 -28.572 -9.890 1.00 1.37 O ATOM 53 CB ILE A 5 10.387 -29.568 -11.406 1.00 1.78 C ATOM 54 CG1 ILE A 5 9.654 -30.580 -12.312 1.00 1.90 C ATOM 55 CG2 ILE A 5 11.773 -30.129 -11.071 1.00 2.03 C ATOM 56 CD1 ILE A 5 8.230 -30.105 -12.614 1.00 1.89 C ATOM 0 H ILE A 5 9.058 -31.341 -10.316 1.00 1.63 H new ATOM 0 HA ILE A 5 10.261 -28.808 -9.359 1.00 1.56 H new ATOM 0 HB ILE A 5 10.466 -28.623 -11.944 1.00 1.78 H new ATOM 0 HG12 ILE A 5 10.205 -30.707 -13.244 1.00 1.90 H new ATOM 0 HG13 ILE A 5 9.622 -31.555 -11.825 1.00 1.90 H new ATOM 0 HG21 ILE A 5 12.318 -30.327 -11.994 1.00 2.03 H new ATOM 0 HG22 ILE A 5 12.324 -29.404 -10.472 1.00 2.03 H new ATOM 0 HG23 ILE A 5 11.664 -31.056 -10.508 1.00 2.03 H new ATOM 0 HD11 ILE A 5 7.732 -30.833 -13.254 1.00 1.89 H new ATOM 0 HD12 ILE A 5 7.675 -30.002 -11.681 1.00 1.89 H new ATOM 0 HD13 ILE A 5 8.268 -29.141 -13.122 1.00 1.89 H new ATOM 68 N MET A 6 8.662 -27.239 -11.034 1.00 1.43 N ATOM 69 CA MET A 6 7.562 -26.258 -11.315 1.00 1.42 C ATOM 70 C MET A 6 6.969 -25.713 -10.000 1.00 1.22 C ATOM 71 O MET A 6 5.766 -25.623 -9.841 1.00 1.26 O ATOM 72 CB MET A 6 6.516 -27.046 -12.121 1.00 1.65 C ATOM 73 CG MET A 6 6.318 -26.386 -13.489 1.00 1.96 C ATOM 74 SD MET A 6 5.561 -27.565 -14.632 1.00 2.47 S ATOM 75 CE MET A 6 4.214 -26.500 -15.203 1.00 2.88 C ATOM 0 H MET A 6 9.570 -26.986 -11.423 1.00 1.43 H new ATOM 0 HA MET A 6 7.917 -25.388 -11.867 1.00 1.42 H new ATOM 0 HB2 MET A 6 6.842 -28.078 -12.248 1.00 1.65 H new ATOM 0 HB3 MET A 6 5.571 -27.074 -11.579 1.00 1.65 H new ATOM 0 HG2 MET A 6 5.685 -25.504 -13.390 1.00 1.96 H new ATOM 0 HG3 MET A 6 7.277 -26.048 -13.882 1.00 1.96 H new ATOM 0 HE1 MET A 6 3.608 -27.039 -15.931 1.00 2.88 H new ATOM 0 HE2 MET A 6 3.593 -26.213 -14.355 1.00 2.88 H new ATOM 0 HE3 MET A 6 4.629 -25.606 -15.668 1.00 2.88 H new ATOM 85 N ASP A 7 7.814 -25.341 -9.064 1.00 1.18 N ATOM 86 CA ASP A 7 7.329 -24.792 -7.751 1.00 1.09 C ATOM 87 C ASP A 7 6.359 -23.610 -7.963 1.00 1.05 C ATOM 88 O ASP A 7 5.529 -23.331 -7.124 1.00 1.03 O ATOM 89 CB ASP A 7 8.603 -24.333 -7.024 1.00 1.31 C ATOM 90 CG ASP A 7 9.497 -25.542 -6.734 1.00 1.45 C ATOM 91 OD1 ASP A 7 10.168 -25.995 -7.650 1.00 1.50 O ATOM 92 OD2 ASP A 7 9.494 -26.001 -5.602 1.00 1.65 O ATOM 0 H ASP A 7 8.829 -25.394 -9.154 1.00 1.18 H new ATOM 0 HA ASP A 7 6.773 -25.535 -7.180 1.00 1.09 H new ATOM 0 HB2 ASP A 7 9.141 -23.609 -7.636 1.00 1.31 H new ATOM 0 HB3 ASP A 7 8.341 -23.831 -6.093 1.00 1.31 H new ATOM 97 N HIS A 8 6.446 -22.932 -9.085 1.00 1.19 N ATOM 98 CA HIS A 8 5.520 -21.786 -9.361 1.00 1.31 C ATOM 99 C HIS A 8 4.301 -22.280 -10.162 1.00 1.35 C ATOM 100 O HIS A 8 4.019 -21.808 -11.250 1.00 1.56 O ATOM 101 CB HIS A 8 6.349 -20.782 -10.181 1.00 1.57 C ATOM 102 CG HIS A 8 6.432 -19.472 -9.441 1.00 2.14 C ATOM 103 ND1 HIS A 8 5.636 -18.383 -9.762 1.00 2.90 N ATOM 104 CD2 HIS A 8 7.210 -19.065 -8.388 1.00 2.53 C ATOM 105 CE1 HIS A 8 5.951 -17.385 -8.915 1.00 3.44 C ATOM 106 NE2 HIS A 8 6.906 -17.748 -8.058 1.00 3.20 N ATOM 0 H HIS A 8 7.122 -23.125 -9.824 1.00 1.19 H new ATOM 0 HA HIS A 8 5.136 -21.331 -8.448 1.00 1.31 H new ATOM 0 HB2 HIS A 8 7.350 -21.177 -10.355 1.00 1.57 H new ATOM 0 HB3 HIS A 8 5.892 -20.631 -11.159 1.00 1.57 H new ATOM 0 HD2 HIS A 8 7.948 -19.675 -7.889 1.00 2.53 H new ATOM 0 HE1 HIS A 8 5.487 -16.410 -8.928 1.00 3.44 H new ATOM 0 HE2 HIS A 8 7.324 -17.182 -7.319 1.00 3.20 H new ATOM 114 N SER A 9 3.580 -23.237 -9.633 1.00 1.24 N ATOM 115 CA SER A 9 2.383 -23.766 -10.363 1.00 1.40 C ATOM 116 C SER A 9 1.407 -24.507 -9.419 1.00 1.35 C ATOM 117 O SER A 9 0.258 -24.122 -9.321 1.00 1.47 O ATOM 118 CB SER A 9 2.940 -24.708 -11.436 1.00 1.52 C ATOM 119 OG SER A 9 3.222 -23.965 -12.621 1.00 1.75 O ATOM 0 H SER A 9 3.766 -23.675 -8.731 1.00 1.24 H new ATOM 0 HA SER A 9 1.801 -22.954 -10.799 1.00 1.40 H new ATOM 0 HB2 SER A 9 3.846 -25.193 -11.074 1.00 1.52 H new ATOM 0 HB3 SER A 9 2.220 -25.497 -11.652 1.00 1.52 H new ATOM 0 HG SER A 9 3.381 -23.026 -12.389 1.00 1.75 H new ATOM 125 N PRO A 10 1.881 -25.555 -8.764 1.00 1.23 N ATOM 126 CA PRO A 10 1.002 -26.336 -7.840 1.00 1.27 C ATOM 127 C PRO A 10 0.699 -25.554 -6.543 1.00 1.17 C ATOM 128 O PRO A 10 0.745 -24.336 -6.513 1.00 1.12 O ATOM 129 CB PRO A 10 1.824 -27.597 -7.555 1.00 1.25 C ATOM 130 CG PRO A 10 3.245 -27.199 -7.780 1.00 1.13 C ATOM 131 CD PRO A 10 3.243 -26.111 -8.819 1.00 1.15 C ATOM 0 HA PRO A 10 0.024 -26.552 -8.270 1.00 1.27 H new ATOM 0 HB2 PRO A 10 1.670 -27.945 -6.534 1.00 1.25 H new ATOM 0 HB3 PRO A 10 1.534 -28.413 -8.217 1.00 1.25 H new ATOM 0 HG2 PRO A 10 3.697 -26.845 -6.853 1.00 1.13 H new ATOM 0 HG3 PRO A 10 3.835 -28.052 -8.117 1.00 1.13 H new ATOM 0 HD2 PRO A 10 3.992 -25.350 -8.599 1.00 1.15 H new ATOM 0 HD3 PRO A 10 3.471 -26.506 -9.809 1.00 1.15 H new ATOM 139 N THR A 11 0.391 -26.252 -5.471 1.00 1.22 N ATOM 140 CA THR A 11 0.082 -25.574 -4.173 1.00 1.23 C ATOM 141 C THR A 11 1.231 -24.652 -3.770 1.00 1.08 C ATOM 142 O THR A 11 1.032 -23.486 -3.487 1.00 1.05 O ATOM 143 CB THR A 11 -0.076 -26.710 -3.157 1.00 1.41 C ATOM 144 OG1 THR A 11 0.961 -27.665 -3.346 1.00 1.47 O ATOM 145 CG2 THR A 11 -1.433 -27.390 -3.350 1.00 1.67 C ATOM 0 H THR A 11 0.341 -27.270 -5.443 1.00 1.22 H new ATOM 0 HA THR A 11 -0.814 -24.956 -4.235 1.00 1.23 H new ATOM 0 HB THR A 11 -0.016 -26.301 -2.149 1.00 1.41 H new ATOM 0 HG1 THR A 11 0.611 -28.434 -3.842 1.00 1.47 H new ATOM 0 HG21 THR A 11 -1.542 -28.197 -2.626 1.00 1.67 H new ATOM 0 HG22 THR A 11 -2.230 -26.661 -3.203 1.00 1.67 H new ATOM 0 HG23 THR A 11 -1.496 -27.797 -4.359 1.00 1.67 H new ATOM 153 N THR A 12 2.434 -25.159 -3.757 1.00 1.06 N ATOM 154 CA THR A 12 3.602 -24.294 -3.386 1.00 1.04 C ATOM 155 C THR A 12 3.677 -23.076 -4.325 1.00 0.94 C ATOM 156 O THR A 12 4.141 -22.015 -3.945 1.00 0.95 O ATOM 157 CB THR A 12 4.849 -25.189 -3.514 1.00 1.17 C ATOM 158 OG1 THR A 12 5.994 -24.469 -3.081 1.00 1.38 O ATOM 159 CG2 THR A 12 5.053 -25.637 -4.963 1.00 1.11 C ATOM 0 H THR A 12 2.663 -26.127 -3.985 1.00 1.06 H new ATOM 0 HA THR A 12 3.516 -23.899 -2.374 1.00 1.04 H new ATOM 0 HB THR A 12 4.705 -26.073 -2.893 1.00 1.17 H new ATOM 0 HG1 THR A 12 6.788 -25.038 -3.161 1.00 1.38 H new ATOM 0 HG21 THR A 12 5.940 -26.268 -5.027 1.00 1.11 H new ATOM 0 HG22 THR A 12 4.182 -26.201 -5.296 1.00 1.11 H new ATOM 0 HG23 THR A 12 5.183 -24.762 -5.600 1.00 1.11 H new ATOM 167 N GLY A 13 3.200 -23.217 -5.538 1.00 0.94 N ATOM 168 CA GLY A 13 3.218 -22.074 -6.501 1.00 0.98 C ATOM 169 C GLY A 13 2.128 -21.075 -6.126 1.00 0.96 C ATOM 170 O GLY A 13 2.405 -19.920 -5.855 1.00 0.99 O ATOM 0 H GLY A 13 2.797 -24.080 -5.903 1.00 0.94 H new ATOM 0 HA2 GLY A 13 4.193 -21.587 -6.486 1.00 0.98 H new ATOM 0 HA3 GLY A 13 3.059 -22.438 -7.516 1.00 0.98 H new ATOM 174 N VAL A 14 0.890 -21.511 -6.096 1.00 1.00 N ATOM 175 CA VAL A 14 -0.219 -20.585 -5.723 1.00 1.08 C ATOM 176 C VAL A 14 0.037 -19.996 -4.324 1.00 0.98 C ATOM 177 O VAL A 14 -0.289 -18.853 -4.058 1.00 1.01 O ATOM 178 CB VAL A 14 -1.506 -21.425 -5.768 1.00 1.24 C ATOM 179 CG1 VAL A 14 -1.752 -21.915 -7.199 1.00 1.38 C ATOM 180 CG2 VAL A 14 -1.397 -22.635 -4.836 1.00 1.22 C ATOM 0 H VAL A 14 0.604 -22.466 -6.314 1.00 1.00 H new ATOM 0 HA VAL A 14 -0.297 -19.737 -6.404 1.00 1.08 H new ATOM 0 HB VAL A 14 -2.336 -20.799 -5.440 1.00 1.24 H new ATOM 0 HG11 VAL A 14 -2.665 -22.510 -7.228 1.00 1.38 H new ATOM 0 HG12 VAL A 14 -1.856 -21.058 -7.864 1.00 1.38 H new ATOM 0 HG13 VAL A 14 -0.910 -22.526 -7.524 1.00 1.38 H new ATOM 0 HG21 VAL A 14 -2.319 -23.215 -4.884 1.00 1.22 H new ATOM 0 HG22 VAL A 14 -0.559 -23.259 -5.146 1.00 1.22 H new ATOM 0 HG23 VAL A 14 -1.236 -22.293 -3.814 1.00 1.22 H new ATOM 190 N VAL A 15 0.651 -20.746 -3.438 1.00 0.92 N ATOM 191 CA VAL A 15 0.956 -20.193 -2.082 1.00 0.92 C ATOM 192 C VAL A 15 2.088 -19.164 -2.201 1.00 0.85 C ATOM 193 O VAL A 15 2.052 -18.112 -1.592 1.00 0.87 O ATOM 194 CB VAL A 15 1.372 -21.395 -1.221 1.00 1.02 C ATOM 195 CG1 VAL A 15 2.043 -20.907 0.066 1.00 1.15 C ATOM 196 CG2 VAL A 15 0.130 -22.215 -0.855 1.00 1.20 C ATOM 0 H VAL A 15 0.951 -21.708 -3.594 1.00 0.92 H new ATOM 0 HA VAL A 15 0.104 -19.683 -1.633 1.00 0.92 H new ATOM 0 HB VAL A 15 2.072 -22.011 -1.786 1.00 1.02 H new ATOM 0 HG11 VAL A 15 2.335 -21.765 0.672 1.00 1.15 H new ATOM 0 HG12 VAL A 15 2.927 -20.321 -0.184 1.00 1.15 H new ATOM 0 HG13 VAL A 15 1.344 -20.287 0.628 1.00 1.15 H new ATOM 0 HG21 VAL A 15 0.424 -23.068 -0.244 1.00 1.20 H new ATOM 0 HG22 VAL A 15 -0.566 -21.591 -0.295 1.00 1.20 H new ATOM 0 HG23 VAL A 15 -0.353 -22.570 -1.765 1.00 1.20 H new ATOM 206 N THR A 16 3.078 -19.448 -3.008 1.00 0.85 N ATOM 207 CA THR A 16 4.199 -18.470 -3.188 1.00 0.90 C ATOM 208 C THR A 16 3.645 -17.142 -3.709 1.00 0.90 C ATOM 209 O THR A 16 3.936 -16.085 -3.179 1.00 0.93 O ATOM 210 CB THR A 16 5.146 -19.101 -4.220 1.00 0.98 C ATOM 211 OG1 THR A 16 5.740 -20.263 -3.664 1.00 1.04 O ATOM 212 CG2 THR A 16 6.249 -18.108 -4.589 1.00 1.17 C ATOM 0 H THR A 16 3.161 -20.309 -3.548 1.00 0.85 H new ATOM 0 HA THR A 16 4.717 -18.265 -2.251 1.00 0.90 H new ATOM 0 HB THR A 16 4.578 -19.362 -5.113 1.00 0.98 H new ATOM 0 HG1 THR A 16 5.349 -21.060 -4.078 1.00 1.04 H new ATOM 0 HG21 THR A 16 6.917 -18.562 -5.321 1.00 1.17 H new ATOM 0 HG22 THR A 16 5.802 -17.209 -5.014 1.00 1.17 H new ATOM 0 HG23 THR A 16 6.815 -17.844 -3.696 1.00 1.17 H new ATOM 220 N VAL A 17 2.847 -17.193 -4.742 1.00 0.94 N ATOM 221 CA VAL A 17 2.270 -15.933 -5.305 1.00 1.03 C ATOM 222 C VAL A 17 1.332 -15.243 -4.298 1.00 1.01 C ATOM 223 O VAL A 17 1.408 -14.042 -4.137 1.00 1.09 O ATOM 224 CB VAL A 17 1.529 -16.307 -6.602 1.00 1.12 C ATOM 225 CG1 VAL A 17 2.540 -16.485 -7.736 1.00 1.36 C ATOM 226 CG2 VAL A 17 0.731 -17.602 -6.434 1.00 1.53 C ATOM 0 H VAL A 17 2.569 -18.050 -5.221 1.00 0.94 H new ATOM 0 HA VAL A 17 3.063 -15.216 -5.517 1.00 1.03 H new ATOM 0 HB VAL A 17 0.834 -15.501 -6.838 1.00 1.12 H new ATOM 0 HG11 VAL A 17 2.015 -16.750 -8.654 1.00 1.36 H new ATOM 0 HG12 VAL A 17 3.086 -15.554 -7.886 1.00 1.36 H new ATOM 0 HG13 VAL A 17 3.241 -17.279 -7.477 1.00 1.36 H new ATOM 0 HG21 VAL A 17 0.220 -17.838 -7.367 1.00 1.53 H new ATOM 0 HG22 VAL A 17 1.408 -18.416 -6.175 1.00 1.53 H new ATOM 0 HG23 VAL A 17 -0.004 -17.476 -5.639 1.00 1.53 H new ATOM 236 N ILE A 18 0.462 -15.954 -3.598 1.00 0.98 N ATOM 237 CA ILE A 18 -0.418 -15.239 -2.614 1.00 1.03 C ATOM 238 C ILE A 18 0.425 -14.682 -1.465 1.00 0.97 C ATOM 239 O ILE A 18 0.133 -13.626 -0.937 1.00 1.01 O ATOM 240 CB ILE A 18 -1.464 -16.253 -2.121 1.00 1.11 C ATOM 241 CG1 ILE A 18 -0.794 -17.445 -1.434 1.00 1.08 C ATOM 242 CG2 ILE A 18 -2.295 -16.753 -3.302 1.00 1.22 C ATOM 243 CD1 ILE A 18 -1.572 -17.807 -0.168 1.00 1.24 C ATOM 0 H ILE A 18 0.329 -16.963 -3.665 1.00 0.98 H new ATOM 0 HA ILE A 18 -0.922 -14.388 -3.073 1.00 1.03 H new ATOM 0 HB ILE A 18 -2.108 -15.752 -1.398 1.00 1.11 H new ATOM 0 HG12 ILE A 18 -0.763 -18.299 -2.111 1.00 1.08 H new ATOM 0 HG13 ILE A 18 0.238 -17.200 -1.182 1.00 1.08 H new ATOM 0 HG21 ILE A 18 -3.035 -17.471 -2.948 1.00 1.22 H new ATOM 0 HG22 ILE A 18 -2.803 -15.911 -3.772 1.00 1.22 H new ATOM 0 HG23 ILE A 18 -1.641 -17.234 -4.029 1.00 1.22 H new ATOM 0 HD11 ILE A 18 -1.095 -18.656 0.322 1.00 1.24 H new ATOM 0 HD12 ILE A 18 -1.580 -16.954 0.511 1.00 1.24 H new ATOM 0 HD13 ILE A 18 -2.596 -18.069 -0.433 1.00 1.24 H new ATOM 255 N VAL A 19 1.489 -15.349 -1.104 1.00 0.92 N ATOM 256 CA VAL A 19 2.368 -14.809 -0.021 1.00 0.93 C ATOM 257 C VAL A 19 3.079 -13.565 -0.563 1.00 0.94 C ATOM 258 O VAL A 19 3.087 -12.522 0.066 1.00 0.96 O ATOM 259 CB VAL A 19 3.368 -15.929 0.308 1.00 0.95 C ATOM 260 CG1 VAL A 19 4.518 -15.372 1.156 1.00 1.05 C ATOM 261 CG2 VAL A 19 2.660 -17.034 1.100 1.00 1.03 C ATOM 0 H VAL A 19 1.787 -16.237 -1.507 1.00 0.92 H new ATOM 0 HA VAL A 19 1.821 -14.521 0.876 1.00 0.93 H new ATOM 0 HB VAL A 19 3.763 -16.333 -0.624 1.00 0.95 H new ATOM 0 HG11 VAL A 19 5.222 -16.172 1.385 1.00 1.05 H new ATOM 0 HG12 VAL A 19 5.030 -14.585 0.602 1.00 1.05 H new ATOM 0 HG13 VAL A 19 4.120 -14.962 2.084 1.00 1.05 H new ATOM 0 HG21 VAL A 19 3.370 -17.827 1.332 1.00 1.03 H new ATOM 0 HG22 VAL A 19 2.263 -16.620 2.027 1.00 1.03 H new ATOM 0 HG23 VAL A 19 1.843 -17.442 0.505 1.00 1.03 H new ATOM 271 N ILE A 20 3.642 -13.657 -1.748 1.00 0.95 N ATOM 272 CA ILE A 20 4.313 -12.464 -2.353 1.00 1.02 C ATOM 273 C ILE A 20 3.278 -11.352 -2.514 1.00 1.03 C ATOM 274 O ILE A 20 3.506 -10.213 -2.154 1.00 1.06 O ATOM 275 CB ILE A 20 4.832 -12.933 -3.720 1.00 1.09 C ATOM 276 CG1 ILE A 20 6.028 -13.867 -3.523 1.00 1.12 C ATOM 277 CG2 ILE A 20 5.269 -11.722 -4.553 1.00 1.25 C ATOM 278 CD1 ILE A 20 6.370 -14.549 -4.849 1.00 1.21 C ATOM 0 H ILE A 20 3.665 -14.503 -2.317 1.00 0.95 H new ATOM 0 HA ILE A 20 5.128 -12.076 -1.741 1.00 1.02 H new ATOM 0 HB ILE A 20 4.035 -13.464 -4.241 1.00 1.09 H new ATOM 0 HG12 ILE A 20 6.887 -13.303 -3.160 1.00 1.12 H new ATOM 0 HG13 ILE A 20 5.796 -14.616 -2.766 1.00 1.12 H new ATOM 0 HG21 ILE A 20 5.636 -12.060 -5.522 1.00 1.25 H new ATOM 0 HG22 ILE A 20 4.419 -11.056 -4.700 1.00 1.25 H new ATOM 0 HG23 ILE A 20 6.063 -11.188 -4.030 1.00 1.25 H new ATOM 0 HD11 ILE A 20 7.222 -15.214 -4.707 1.00 1.21 H new ATOM 0 HD12 ILE A 20 5.512 -15.127 -5.193 1.00 1.21 H new ATOM 0 HD13 ILE A 20 6.620 -13.793 -5.593 1.00 1.21 H new ATOM 290 N LEU A 21 2.129 -11.695 -3.030 1.00 1.04 N ATOM 291 CA LEU A 21 1.041 -10.685 -3.198 1.00 1.10 C ATOM 292 C LEU A 21 0.682 -10.099 -1.831 1.00 1.07 C ATOM 293 O LEU A 21 0.668 -8.896 -1.651 1.00 1.11 O ATOM 294 CB LEU A 21 -0.144 -11.455 -3.790 1.00 1.16 C ATOM 295 CG LEU A 21 -0.100 -11.376 -5.316 1.00 1.30 C ATOM 296 CD1 LEU A 21 -0.817 -12.589 -5.910 1.00 1.44 C ATOM 297 CD2 LEU A 21 -0.799 -10.097 -5.777 1.00 1.53 C ATOM 0 H LEU A 21 1.894 -12.636 -3.345 1.00 1.04 H new ATOM 0 HA LEU A 21 1.332 -9.856 -3.843 1.00 1.10 H new ATOM 0 HB2 LEU A 21 -0.110 -12.496 -3.469 1.00 1.16 H new ATOM 0 HB3 LEU A 21 -1.081 -11.038 -3.422 1.00 1.16 H new ATOM 0 HG LEU A 21 0.937 -11.367 -5.651 1.00 1.30 H new ATOM 0 HD11 LEU A 21 -0.786 -12.533 -6.998 1.00 1.44 H new ATOM 0 HD12 LEU A 21 -0.322 -13.502 -5.579 1.00 1.44 H new ATOM 0 HD13 LEU A 21 -1.855 -12.598 -5.577 1.00 1.44 H new ATOM 0 HD21 LEU A 21 -0.769 -10.038 -6.865 1.00 1.53 H new ATOM 0 HD22 LEU A 21 -1.836 -10.109 -5.443 1.00 1.53 H new ATOM 0 HD23 LEU A 21 -0.291 -9.231 -5.353 1.00 1.53 H new ATOM 309 N ILE A 22 0.419 -10.937 -0.855 1.00 1.04 N ATOM 310 CA ILE A 22 0.095 -10.405 0.507 1.00 1.05 C ATOM 311 C ILE A 22 1.245 -9.507 0.984 1.00 1.02 C ATOM 312 O ILE A 22 1.030 -8.478 1.601 1.00 1.04 O ATOM 313 CB ILE A 22 -0.063 -11.643 1.406 1.00 1.09 C ATOM 314 CG1 ILE A 22 -1.463 -12.235 1.213 1.00 1.17 C ATOM 315 CG2 ILE A 22 0.115 -11.255 2.878 1.00 1.16 C ATOM 316 CD1 ILE A 22 -1.487 -13.677 1.727 1.00 1.37 C ATOM 0 H ILE A 22 0.415 -11.953 -0.941 1.00 1.04 H new ATOM 0 HA ILE A 22 -0.812 -9.800 0.522 1.00 1.05 H new ATOM 0 HB ILE A 22 0.696 -12.376 1.133 1.00 1.09 H new ATOM 0 HG12 ILE A 22 -2.199 -11.635 1.748 1.00 1.17 H new ATOM 0 HG13 ILE A 22 -1.737 -12.210 0.158 1.00 1.17 H new ATOM 0 HG21 ILE A 22 0.001 -12.140 3.504 1.00 1.16 H new ATOM 0 HG22 ILE A 22 1.109 -10.832 3.025 1.00 1.16 H new ATOM 0 HG23 ILE A 22 -0.638 -10.516 3.153 1.00 1.16 H new ATOM 0 HD11 ILE A 22 -2.484 -14.096 1.589 1.00 1.37 H new ATOM 0 HD12 ILE A 22 -0.763 -14.273 1.172 1.00 1.37 H new ATOM 0 HD13 ILE A 22 -1.232 -13.690 2.787 1.00 1.37 H new ATOM 328 N ALA A 23 2.461 -9.883 0.681 1.00 1.02 N ATOM 329 CA ALA A 23 3.636 -9.055 1.096 1.00 1.04 C ATOM 330 C ALA A 23 3.655 -7.717 0.340 1.00 1.03 C ATOM 331 O ALA A 23 3.732 -6.666 0.951 1.00 1.04 O ATOM 332 CB ALA A 23 4.868 -9.900 0.752 1.00 1.08 C ATOM 0 H ALA A 23 2.693 -10.730 0.162 1.00 1.02 H new ATOM 0 HA ALA A 23 3.603 -8.805 2.156 1.00 1.04 H new ATOM 0 HB1 ALA A 23 5.771 -9.356 1.029 1.00 1.08 H new ATOM 0 HB2 ALA A 23 4.829 -10.841 1.301 1.00 1.08 H new ATOM 0 HB3 ALA A 23 4.882 -10.105 -0.319 1.00 1.08 H new ATOM 338 N ILE A 24 3.569 -7.730 -0.975 1.00 1.06 N ATOM 339 CA ILE A 24 3.571 -6.433 -1.718 1.00 1.10 C ATOM 340 C ILE A 24 2.344 -5.613 -1.304 1.00 1.08 C ATOM 341 O ILE A 24 2.420 -4.409 -1.147 1.00 1.09 O ATOM 342 CB ILE A 24 3.548 -6.784 -3.217 1.00 1.19 C ATOM 343 CG1 ILE A 24 2.259 -7.523 -3.593 1.00 1.18 C ATOM 344 CG2 ILE A 24 4.746 -7.669 -3.554 1.00 1.24 C ATOM 345 CD1 ILE A 24 2.114 -7.551 -5.118 1.00 1.43 C ATOM 0 H ILE A 24 3.499 -8.568 -1.552 1.00 1.06 H new ATOM 0 HA ILE A 24 4.451 -5.829 -1.496 1.00 1.10 H new ATOM 0 HB ILE A 24 3.594 -5.854 -3.783 1.00 1.19 H new ATOM 0 HG12 ILE A 24 2.282 -8.540 -3.200 1.00 1.18 H new ATOM 0 HG13 ILE A 24 1.398 -7.027 -3.144 1.00 1.18 H new ATOM 0 HG21 ILE A 24 4.728 -7.917 -4.615 1.00 1.24 H new ATOM 0 HG22 ILE A 24 5.668 -7.137 -3.321 1.00 1.24 H new ATOM 0 HG23 ILE A 24 4.698 -8.586 -2.967 1.00 1.24 H new ATOM 0 HD11 ILE A 24 1.198 -8.076 -5.387 1.00 1.43 H new ATOM 0 HD12 ILE A 24 2.072 -6.530 -5.498 1.00 1.43 H new ATOM 0 HD13 ILE A 24 2.969 -8.066 -5.555 1.00 1.43 H new ATOM 357 N ALA A 25 1.227 -6.264 -1.085 1.00 1.07 N ATOM 358 CA ALA A 25 0.007 -5.526 -0.638 1.00 1.08 C ATOM 359 C ALA A 25 0.262 -4.929 0.747 1.00 1.03 C ATOM 360 O ALA A 25 -0.008 -3.766 0.993 1.00 1.02 O ATOM 361 CB ALA A 25 -1.114 -6.570 -0.593 1.00 1.13 C ATOM 0 H ALA A 25 1.109 -7.271 -1.196 1.00 1.07 H new ATOM 0 HA ALA A 25 -0.257 -4.704 -1.304 1.00 1.08 H new ATOM 0 HB1 ALA A 25 -2.041 -6.095 -0.272 1.00 1.13 H new ATOM 0 HB2 ALA A 25 -1.251 -6.999 -1.585 1.00 1.13 H new ATOM 0 HB3 ALA A 25 -0.848 -7.359 0.110 1.00 1.13 H new ATOM 367 N ALA A 26 0.818 -5.708 1.642 1.00 1.04 N ATOM 368 CA ALA A 26 1.131 -5.177 3.003 1.00 1.05 C ATOM 369 C ALA A 26 2.144 -4.034 2.869 1.00 1.02 C ATOM 370 O ALA A 26 2.001 -2.992 3.480 1.00 1.01 O ATOM 371 CB ALA A 26 1.728 -6.357 3.778 1.00 1.12 C ATOM 0 H ALA A 26 1.068 -6.685 1.489 1.00 1.04 H new ATOM 0 HA ALA A 26 0.255 -4.781 3.517 1.00 1.05 H new ATOM 0 HB1 ALA A 26 1.982 -6.037 4.789 1.00 1.12 H new ATOM 0 HB2 ALA A 26 1.000 -7.167 3.825 1.00 1.12 H new ATOM 0 HB3 ALA A 26 2.628 -6.707 3.272 1.00 1.12 H new ATOM 377 N LEU A 27 3.147 -4.213 2.040 1.00 1.05 N ATOM 378 CA LEU A 27 4.149 -3.128 1.827 1.00 1.07 C ATOM 379 C LEU A 27 3.434 -1.896 1.251 1.00 1.02 C ATOM 380 O LEU A 27 3.611 -0.787 1.725 1.00 1.01 O ATOM 381 CB LEU A 27 5.153 -3.705 0.820 1.00 1.15 C ATOM 382 CG LEU A 27 6.041 -2.587 0.268 1.00 1.23 C ATOM 383 CD1 LEU A 27 7.509 -2.990 0.395 1.00 1.45 C ATOM 384 CD2 LEU A 27 5.707 -2.351 -1.206 1.00 1.33 C ATOM 0 H LEU A 27 3.312 -5.065 1.504 1.00 1.05 H new ATOM 0 HA LEU A 27 4.648 -2.817 2.745 1.00 1.07 H new ATOM 0 HB2 LEU A 27 5.768 -4.465 1.302 1.00 1.15 H new ATOM 0 HB3 LEU A 27 4.622 -4.195 0.004 1.00 1.15 H new ATOM 0 HG LEU A 27 5.864 -1.672 0.834 1.00 1.23 H new ATOM 0 HD11 LEU A 27 8.140 -2.193 0.002 1.00 1.45 H new ATOM 0 HD12 LEU A 27 7.750 -3.160 1.444 1.00 1.45 H new ATOM 0 HD13 LEU A 27 7.685 -3.905 -0.170 1.00 1.45 H new ATOM 0 HD21 LEU A 27 6.339 -1.555 -1.599 1.00 1.33 H new ATOM 0 HD22 LEU A 27 5.883 -3.267 -1.770 1.00 1.33 H new ATOM 0 HD23 LEU A 27 4.660 -2.063 -1.300 1.00 1.33 H new ATOM 396 N GLY A 28 2.604 -2.092 0.249 1.00 1.02 N ATOM 397 CA GLY A 28 1.849 -0.945 -0.343 1.00 1.02 C ATOM 398 C GLY A 28 1.020 -0.284 0.760 1.00 0.94 C ATOM 399 O GLY A 28 1.019 0.925 0.908 1.00 0.93 O ATOM 0 H GLY A 28 2.420 -2.998 -0.182 1.00 1.02 H new ATOM 0 HA2 GLY A 28 2.539 -0.224 -0.781 1.00 1.02 H new ATOM 0 HA3 GLY A 28 1.200 -1.294 -1.146 1.00 1.02 H new ATOM 403 N ALA A 29 0.336 -1.076 1.556 1.00 0.93 N ATOM 404 CA ALA A 29 -0.472 -0.499 2.672 1.00 0.91 C ATOM 405 C ALA A 29 0.448 0.247 3.640 1.00 0.86 C ATOM 406 O ALA A 29 0.167 1.358 4.050 1.00 0.84 O ATOM 407 CB ALA A 29 -1.131 -1.701 3.354 1.00 0.98 C ATOM 0 H ALA A 29 0.305 -2.093 1.478 1.00 0.93 H new ATOM 0 HA ALA A 29 -1.217 0.217 2.325 1.00 0.91 H new ATOM 0 HB1 ALA A 29 -1.743 -1.356 4.187 1.00 0.98 H new ATOM 0 HB2 ALA A 29 -1.759 -2.228 2.636 1.00 0.98 H new ATOM 0 HB3 ALA A 29 -0.360 -2.376 3.725 1.00 0.98 H new ATOM 413 N LEU A 30 1.561 -0.351 3.978 1.00 0.89 N ATOM 414 CA LEU A 30 2.535 0.318 4.895 1.00 0.91 C ATOM 415 C LEU A 30 2.986 1.650 4.280 1.00 0.88 C ATOM 416 O LEU A 30 3.108 2.648 4.964 1.00 0.88 O ATOM 417 CB LEU A 30 3.713 -0.660 5.014 1.00 1.03 C ATOM 418 CG LEU A 30 3.456 -1.637 6.164 1.00 1.11 C ATOM 419 CD1 LEU A 30 4.338 -2.873 5.986 1.00 1.30 C ATOM 420 CD2 LEU A 30 3.799 -0.957 7.492 1.00 1.26 C ATOM 0 H LEU A 30 1.839 -1.278 3.657 1.00 0.89 H new ATOM 0 HA LEU A 30 2.107 0.544 5.872 1.00 0.91 H new ATOM 0 HB2 LEU A 30 3.840 -1.207 4.080 1.00 1.03 H new ATOM 0 HB3 LEU A 30 4.638 -0.111 5.190 1.00 1.03 H new ATOM 0 HG LEU A 30 2.407 -1.934 6.164 1.00 1.11 H new ATOM 0 HD11 LEU A 30 4.157 -3.570 6.804 1.00 1.30 H new ATOM 0 HD12 LEU A 30 4.101 -3.356 5.038 1.00 1.30 H new ATOM 0 HD13 LEU A 30 5.387 -2.575 5.989 1.00 1.30 H new ATOM 0 HD21 LEU A 30 3.617 -1.650 8.313 1.00 1.26 H new ATOM 0 HD22 LEU A 30 4.849 -0.664 7.490 1.00 1.26 H new ATOM 0 HD23 LEU A 30 3.176 -0.072 7.619 1.00 1.26 H new ATOM 432 N ILE A 31 3.207 1.674 2.986 1.00 0.90 N ATOM 433 CA ILE A 31 3.622 2.947 2.316 1.00 0.91 C ATOM 434 C ILE A 31 2.447 3.937 2.333 1.00 0.82 C ATOM 435 O ILE A 31 2.605 5.094 2.680 1.00 0.81 O ATOM 436 CB ILE A 31 3.988 2.545 0.878 1.00 1.02 C ATOM 437 CG1 ILE A 31 5.345 1.833 0.878 1.00 1.10 C ATOM 438 CG2 ILE A 31 4.073 3.791 -0.009 1.00 1.15 C ATOM 439 CD1 ILE A 31 5.542 1.105 -0.453 1.00 1.37 C ATOM 0 H ILE A 31 3.118 0.868 2.367 1.00 0.90 H new ATOM 0 HA ILE A 31 4.460 3.435 2.813 1.00 0.91 H new ATOM 0 HB ILE A 31 3.219 1.878 0.488 1.00 1.02 H new ATOM 0 HG12 ILE A 31 6.146 2.556 1.031 1.00 1.10 H new ATOM 0 HG13 ILE A 31 5.395 1.123 1.703 1.00 1.10 H new ATOM 0 HG21 ILE A 31 4.333 3.497 -1.026 1.00 1.15 H new ATOM 0 HG22 ILE A 31 3.110 4.301 -0.014 1.00 1.15 H new ATOM 0 HG23 ILE A 31 4.837 4.463 0.381 1.00 1.15 H new ATOM 0 HD11 ILE A 31 6.507 0.599 -0.452 1.00 1.37 H new ATOM 0 HD12 ILE A 31 4.748 0.371 -0.587 1.00 1.37 H new ATOM 0 HD13 ILE A 31 5.511 1.826 -1.270 1.00 1.37 H new ATOM 451 N LEU A 32 1.266 3.483 1.978 1.00 0.80 N ATOM 452 CA LEU A 32 0.074 4.390 1.990 1.00 0.77 C ATOM 453 C LEU A 32 -0.175 4.909 3.417 1.00 0.70 C ATOM 454 O LEU A 32 -0.398 6.087 3.624 1.00 0.70 O ATOM 455 CB LEU A 32 -1.097 3.520 1.507 1.00 0.83 C ATOM 456 CG LEU A 32 -1.910 4.276 0.450 1.00 1.16 C ATOM 457 CD1 LEU A 32 -1.700 3.626 -0.921 1.00 1.46 C ATOM 458 CD2 LEU A 32 -3.397 4.219 0.814 1.00 1.66 C ATOM 0 H LEU A 32 1.078 2.525 1.681 1.00 0.80 H new ATOM 0 HA LEU A 32 0.208 5.266 1.355 1.00 0.77 H new ATOM 0 HB2 LEU A 32 -0.719 2.587 1.089 1.00 0.83 H new ATOM 0 HB3 LEU A 32 -1.736 3.256 2.349 1.00 0.83 H new ATOM 0 HG LEU A 32 -1.580 5.314 0.415 1.00 1.16 H new ATOM 0 HD11 LEU A 32 -2.279 4.165 -1.671 1.00 1.46 H new ATOM 0 HD12 LEU A 32 -0.643 3.663 -1.183 1.00 1.46 H new ATOM 0 HD13 LEU A 32 -2.029 2.587 -0.886 1.00 1.46 H new ATOM 0 HD21 LEU A 32 -3.976 4.756 0.063 1.00 1.66 H new ATOM 0 HD22 LEU A 32 -3.723 3.180 0.849 1.00 1.66 H new ATOM 0 HD23 LEU A 32 -3.551 4.680 1.789 1.00 1.66 H new ATOM 470 N GLY A 33 -0.122 4.037 4.401 1.00 0.72 N ATOM 471 CA GLY A 33 -0.337 4.472 5.819 1.00 0.73 C ATOM 472 C GLY A 33 0.760 5.460 6.222 1.00 0.73 C ATOM 473 O GLY A 33 0.484 6.525 6.741 1.00 0.78 O ATOM 0 H GLY A 33 0.061 3.041 4.281 1.00 0.72 H new ATOM 0 HA2 GLY A 33 -1.317 4.938 5.923 1.00 0.73 H new ATOM 0 HA3 GLY A 33 -0.323 3.607 6.482 1.00 0.73 H new ATOM 477 N CYS A 34 2.005 5.121 5.968 1.00 0.75 N ATOM 478 CA CYS A 34 3.125 6.054 6.313 1.00 0.83 C ATOM 479 C CYS A 34 2.954 7.369 5.540 1.00 0.81 C ATOM 480 O CYS A 34 3.165 8.443 6.069 1.00 0.89 O ATOM 481 CB CYS A 34 4.404 5.328 5.882 1.00 0.95 C ATOM 482 SG CYS A 34 5.815 5.981 6.808 1.00 1.55 S ATOM 0 H CYS A 34 2.291 4.241 5.538 1.00 0.75 H new ATOM 0 HA CYS A 34 3.151 6.305 7.374 1.00 0.83 H new ATOM 0 HB2 CYS A 34 4.304 4.257 6.060 1.00 0.95 H new ATOM 0 HB3 CYS A 34 4.566 5.460 4.812 1.00 0.95 H new ATOM 0 HG CYS A 34 6.898 5.362 6.442 1.00 1.55 H new ATOM 488 N TRP A 35 2.558 7.288 4.291 1.00 0.76 N ATOM 489 CA TRP A 35 2.352 8.528 3.482 1.00 0.78 C ATOM 490 C TRP A 35 1.172 9.338 4.056 1.00 0.72 C ATOM 491 O TRP A 35 1.299 10.522 4.318 1.00 0.81 O ATOM 492 CB TRP A 35 2.047 8.025 2.064 1.00 0.79 C ATOM 493 CG TRP A 35 1.558 9.154 1.211 1.00 0.81 C ATOM 494 CD1 TRP A 35 2.344 10.095 0.642 1.00 0.90 C ATOM 495 CD2 TRP A 35 0.192 9.473 0.823 1.00 0.87 C ATOM 496 NE1 TRP A 35 1.547 10.973 -0.070 1.00 0.98 N ATOM 497 CE2 TRP A 35 0.211 10.632 0.014 1.00 0.97 C ATOM 498 CE3 TRP A 35 -1.052 8.876 1.096 1.00 0.96 C ATOM 499 CZ2 TRP A 35 -0.961 11.178 -0.510 1.00 1.11 C ATOM 500 CZ3 TRP A 35 -2.233 9.422 0.571 1.00 1.11 C ATOM 501 CH2 TRP A 35 -2.188 10.572 -0.228 1.00 1.17 C ATOM 0 H TRP A 35 2.369 6.415 3.798 1.00 0.76 H new ATOM 0 HA TRP A 35 3.218 9.190 3.493 1.00 0.78 H new ATOM 0 HB2 TRP A 35 2.944 7.589 1.624 1.00 0.79 H new ATOM 0 HB3 TRP A 35 1.295 7.237 2.103 1.00 0.79 H new ATOM 0 HD1 TRP A 35 3.419 10.152 0.729 1.00 0.90 H new ATOM 0 HE1 TRP A 35 1.902 11.774 -0.593 1.00 0.98 H new ATOM 0 HE3 TRP A 35 -1.098 7.991 1.714 1.00 0.96 H new ATOM 0 HZ2 TRP A 35 -0.920 12.062 -1.129 1.00 1.11 H new ATOM 0 HZ3 TRP A 35 -3.182 8.953 0.784 1.00 1.11 H new ATOM 0 HH2 TRP A 35 -3.101 10.990 -0.626 1.00 1.17 H new ATOM 512 N CYS A 36 0.036 8.696 4.254 1.00 0.65 N ATOM 513 CA CYS A 36 -1.178 9.388 4.816 1.00 0.66 C ATOM 514 C CYS A 36 -1.660 10.509 3.878 1.00 0.71 C ATOM 515 O CYS A 36 -2.720 10.418 3.290 1.00 0.73 O ATOM 516 CB CYS A 36 -0.738 9.951 6.178 1.00 0.75 C ATOM 517 SG CYS A 36 -2.050 9.690 7.398 1.00 1.26 S ATOM 0 H CYS A 36 -0.102 7.707 4.046 1.00 0.65 H new ATOM 0 HA CYS A 36 -2.019 8.702 4.921 1.00 0.66 H new ATOM 0 HB2 CYS A 36 0.179 9.462 6.506 1.00 0.75 H new ATOM 0 HB3 CYS A 36 -0.517 11.015 6.089 1.00 0.75 H new ATOM 0 HG CYS A 36 -1.674 10.165 8.548 1.00 1.26 H new ATOM 523 N TYR A 37 -0.881 11.553 3.736 1.00 0.80 N ATOM 524 CA TYR A 37 -1.262 12.691 2.836 1.00 0.93 C ATOM 525 C TYR A 37 -0.175 13.779 2.866 1.00 1.09 C ATOM 526 O TYR A 37 -0.467 14.959 2.855 1.00 1.27 O ATOM 527 CB TYR A 37 -2.582 13.233 3.400 1.00 1.02 C ATOM 528 CG TYR A 37 -3.599 13.350 2.285 1.00 1.15 C ATOM 529 CD1 TYR A 37 -3.509 14.395 1.358 1.00 1.50 C ATOM 530 CD2 TYR A 37 -4.626 12.407 2.173 1.00 1.25 C ATOM 531 CE1 TYR A 37 -4.448 14.499 0.324 1.00 1.75 C ATOM 532 CE2 TYR A 37 -5.567 12.512 1.139 1.00 1.52 C ATOM 533 CZ TYR A 37 -5.476 13.555 0.215 1.00 1.70 C ATOM 534 OH TYR A 37 -6.404 13.652 -0.803 1.00 2.04 O ATOM 0 H TYR A 37 0.014 11.668 4.211 1.00 0.80 H new ATOM 0 HA TYR A 37 -1.367 12.374 1.799 1.00 0.93 H new ATOM 0 HB2 TYR A 37 -2.956 12.569 4.179 1.00 1.02 H new ATOM 0 HB3 TYR A 37 -2.420 14.207 3.862 1.00 1.02 H new ATOM 0 HD1 TYR A 37 -2.715 15.122 1.440 1.00 1.50 H new ATOM 0 HD2 TYR A 37 -4.694 11.597 2.884 1.00 1.25 H new ATOM 0 HE1 TYR A 37 -4.379 15.307 -0.389 1.00 1.75 H new ATOM 0 HE2 TYR A 37 -6.362 11.786 1.057 1.00 1.52 H new ATOM 0 HH TYR A 37 -7.047 12.916 -0.731 1.00 2.04 H new ATOM 544 N LEU A 38 1.080 13.393 2.907 1.00 1.09 N ATOM 545 CA LEU A 38 2.172 14.416 2.944 1.00 1.29 C ATOM 546 C LEU A 38 2.553 14.887 1.526 1.00 1.40 C ATOM 547 O LEU A 38 3.268 15.863 1.365 1.00 1.55 O ATOM 548 CB LEU A 38 3.353 13.729 3.652 1.00 1.33 C ATOM 549 CG LEU A 38 4.077 12.769 2.699 1.00 1.34 C ATOM 550 CD1 LEU A 38 5.430 13.363 2.302 1.00 1.61 C ATOM 551 CD2 LEU A 38 4.309 11.436 3.410 1.00 1.47 C ATOM 0 H LEU A 38 1.392 12.422 2.916 1.00 1.09 H new ATOM 0 HA LEU A 38 1.861 15.317 3.473 1.00 1.29 H new ATOM 0 HB2 LEU A 38 4.052 14.482 4.017 1.00 1.33 H new ATOM 0 HB3 LEU A 38 2.992 13.181 4.522 1.00 1.33 H new ATOM 0 HG LEU A 38 3.469 12.616 1.808 1.00 1.34 H new ATOM 0 HD11 LEU A 38 5.943 12.680 1.625 1.00 1.61 H new ATOM 0 HD12 LEU A 38 5.275 14.320 1.803 1.00 1.61 H new ATOM 0 HD13 LEU A 38 6.037 13.513 3.195 1.00 1.61 H new ATOM 0 HD21 LEU A 38 4.823 10.750 2.737 1.00 1.47 H new ATOM 0 HD22 LEU A 38 4.919 11.599 4.298 1.00 1.47 H new ATOM 0 HD23 LEU A 38 3.350 11.008 3.702 1.00 1.47 H new ATOM 563 N ARG A 39 2.073 14.223 0.497 1.00 1.39 N ATOM 564 CA ARG A 39 2.406 14.658 -0.898 1.00 1.56 C ATOM 565 C ARG A 39 1.194 14.454 -1.832 1.00 1.49 C ATOM 566 O ARG A 39 0.259 15.229 -1.795 1.00 1.58 O ATOM 567 CB ARG A 39 3.610 13.800 -1.317 1.00 1.63 C ATOM 568 CG ARG A 39 4.909 14.532 -0.960 1.00 1.87 C ATOM 569 CD ARG A 39 5.095 15.740 -1.884 1.00 2.18 C ATOM 570 NE ARG A 39 5.442 16.868 -0.970 1.00 2.33 N ATOM 571 CZ ARG A 39 4.644 17.883 -0.851 1.00 2.49 C ATOM 572 NH1 ARG A 39 3.704 17.864 0.039 1.00 2.41 N ATOM 573 NH2 ARG A 39 4.794 18.912 -1.623 1.00 2.82 N ATOM 0 H ARG A 39 1.469 13.404 0.564 1.00 1.39 H new ATOM 0 HA ARG A 39 2.648 15.719 -0.955 1.00 1.56 H new ATOM 0 HB2 ARG A 39 3.574 12.834 -0.813 1.00 1.63 H new ATOM 0 HB3 ARG A 39 3.574 13.603 -2.388 1.00 1.63 H new ATOM 0 HG2 ARG A 39 4.879 14.859 0.079 1.00 1.87 H new ATOM 0 HG3 ARG A 39 5.757 13.855 -1.057 1.00 1.87 H new ATOM 0 HD2 ARG A 39 5.886 15.563 -2.612 1.00 2.18 H new ATOM 0 HD3 ARG A 39 4.186 15.952 -2.446 1.00 2.18 H new ATOM 0 HE ARG A 39 6.311 16.840 -0.437 1.00 2.33 H new ATOM 0 HH11 ARG A 39 3.592 17.051 0.645 1.00 2.41 H new ATOM 0 HH12 ARG A 39 3.075 18.662 0.134 1.00 2.41 H new ATOM 0 HH21 ARG A 39 5.538 18.922 -2.321 1.00 2.82 H new ATOM 0 HH22 ARG A 39 4.169 19.713 -1.533 1.00 2.82 H new ATOM 587 N LEU A 40 1.196 13.440 -2.672 1.00 1.40 N ATOM 588 CA LEU A 40 0.033 13.234 -3.599 1.00 1.36 C ATOM 589 C LEU A 40 -0.080 11.769 -4.069 1.00 1.20 C ATOM 590 O LEU A 40 -0.679 11.489 -5.092 1.00 1.30 O ATOM 591 CB LEU A 40 0.329 14.159 -4.784 1.00 1.60 C ATOM 592 CG LEU A 40 1.583 13.681 -5.529 1.00 1.72 C ATOM 593 CD1 LEU A 40 1.226 13.363 -6.980 1.00 1.87 C ATOM 594 CD2 LEU A 40 2.641 14.784 -5.501 1.00 2.01 C ATOM 0 H LEU A 40 1.945 12.753 -2.755 1.00 1.40 H new ATOM 0 HA LEU A 40 -0.916 13.455 -3.110 1.00 1.36 H new ATOM 0 HB2 LEU A 40 -0.523 14.175 -5.464 1.00 1.60 H new ATOM 0 HB3 LEU A 40 0.474 15.180 -4.431 1.00 1.60 H new ATOM 0 HG LEU A 40 1.972 12.785 -5.045 1.00 1.72 H new ATOM 0 HD11 LEU A 40 2.117 13.024 -7.508 1.00 1.87 H new ATOM 0 HD12 LEU A 40 0.469 12.579 -7.005 1.00 1.87 H new ATOM 0 HD13 LEU A 40 0.837 14.259 -7.464 1.00 1.87 H new ATOM 0 HD21 LEU A 40 3.533 14.447 -6.030 1.00 2.01 H new ATOM 0 HD22 LEU A 40 2.248 15.678 -5.986 1.00 2.01 H new ATOM 0 HD23 LEU A 40 2.898 15.016 -4.467 1.00 2.01 H new ATOM 606 N GLN A 41 0.471 10.834 -3.336 1.00 1.07 N ATOM 607 CA GLN A 41 0.386 9.395 -3.750 1.00 1.01 C ATOM 608 C GLN A 41 -0.982 8.791 -3.375 1.00 0.84 C ATOM 609 O GLN A 41 -1.065 7.676 -2.895 1.00 0.86 O ATOM 610 CB GLN A 41 1.518 8.700 -2.980 1.00 1.11 C ATOM 611 CG GLN A 41 2.879 9.152 -3.529 1.00 1.39 C ATOM 612 CD GLN A 41 3.472 10.235 -2.624 1.00 1.53 C ATOM 613 OE1 GLN A 41 2.869 11.270 -2.414 1.00 1.46 O ATOM 614 NE2 GLN A 41 4.636 10.046 -2.077 1.00 1.94 N ATOM 0 H GLN A 41 0.977 11.003 -2.467 1.00 1.07 H new ATOM 0 HA GLN A 41 0.485 9.273 -4.829 1.00 1.01 H new ATOM 0 HB2 GLN A 41 1.447 8.938 -1.919 1.00 1.11 H new ATOM 0 HB3 GLN A 41 1.421 7.618 -3.071 1.00 1.11 H new ATOM 0 HG2 GLN A 41 3.558 8.302 -3.586 1.00 1.39 H new ATOM 0 HG3 GLN A 41 2.763 9.536 -4.542 1.00 1.39 H new ATOM 0 HE21 GLN A 41 5.146 9.180 -2.250 1.00 1.94 H new ATOM 0 HE22 GLN A 41 5.039 10.764 -1.475 1.00 1.94 H new ATOM 623 N ARG A 42 -2.055 9.510 -3.605 1.00 0.81 N ATOM 624 CA ARG A 42 -3.409 8.964 -3.275 1.00 0.80 C ATOM 625 C ARG A 42 -3.906 8.101 -4.439 1.00 0.77 C ATOM 626 O ARG A 42 -4.059 6.898 -4.315 1.00 0.81 O ATOM 627 CB ARG A 42 -4.298 10.200 -3.062 1.00 1.01 C ATOM 628 CG ARG A 42 -5.776 9.833 -3.260 1.00 1.10 C ATOM 629 CD ARG A 42 -6.378 9.365 -1.930 1.00 1.15 C ATOM 630 NE ARG A 42 -5.996 7.923 -1.820 1.00 0.99 N ATOM 631 CZ ARG A 42 -6.738 7.009 -2.361 1.00 0.95 C ATOM 632 NH1 ARG A 42 -7.925 6.782 -1.903 1.00 1.12 N ATOM 633 NH2 ARG A 42 -6.293 6.309 -3.349 1.00 0.89 N ATOM 0 H ARG A 42 -2.052 10.448 -4.006 1.00 0.81 H new ATOM 0 HA ARG A 42 -3.411 8.328 -2.390 1.00 0.80 H new ATOM 0 HB2 ARG A 42 -4.146 10.597 -2.058 1.00 1.01 H new ATOM 0 HB3 ARG A 42 -4.014 10.986 -3.762 1.00 1.01 H new ATOM 0 HG2 ARG A 42 -6.327 10.695 -3.636 1.00 1.10 H new ATOM 0 HG3 ARG A 42 -5.868 9.046 -4.008 1.00 1.10 H new ATOM 0 HD2 ARG A 42 -5.985 9.943 -1.093 1.00 1.15 H new ATOM 0 HD3 ARG A 42 -7.461 9.488 -1.921 1.00 1.15 H new ATOM 0 HE ARG A 42 -5.149 7.658 -1.318 1.00 0.99 H new ATOM 0 HH11 ARG A 42 -8.279 7.323 -1.114 1.00 1.12 H new ATOM 0 HH12 ARG A 42 -8.507 6.062 -2.330 1.00 1.12 H new ATOM 0 HH21 ARG A 42 -5.353 6.474 -3.708 1.00 0.89 H new ATOM 0 HH22 ARG A 42 -6.882 5.591 -3.771 1.00 0.89 H new ATOM 647 N ILE A 43 -4.148 8.711 -5.564 1.00 0.88 N ATOM 648 CA ILE A 43 -4.618 7.950 -6.764 1.00 1.01 C ATOM 649 C ILE A 43 -3.512 7.002 -7.235 1.00 0.94 C ATOM 650 O ILE A 43 -3.757 5.917 -7.731 1.00 1.06 O ATOM 651 CB ILE A 43 -4.901 9.012 -7.837 1.00 1.21 C ATOM 652 CG1 ILE A 43 -3.756 10.036 -7.934 1.00 1.18 C ATOM 653 CG2 ILE A 43 -6.188 9.749 -7.490 1.00 1.40 C ATOM 654 CD1 ILE A 43 -3.413 10.279 -9.404 1.00 1.57 C ATOM 0 H ILE A 43 -4.040 9.715 -5.709 1.00 0.88 H new ATOM 0 HA ILE A 43 -5.502 7.348 -6.552 1.00 1.01 H new ATOM 0 HB ILE A 43 -4.993 8.503 -8.797 1.00 1.21 H new ATOM 0 HG12 ILE A 43 -4.049 10.972 -7.458 1.00 1.18 H new ATOM 0 HG13 ILE A 43 -2.879 9.669 -7.401 1.00 1.18 H new ATOM 0 HG21 ILE A 43 -6.391 10.504 -8.250 1.00 1.40 H new ATOM 0 HG22 ILE A 43 -7.015 9.040 -7.453 1.00 1.40 H new ATOM 0 HG23 ILE A 43 -6.080 10.232 -6.519 1.00 1.40 H new ATOM 0 HD11 ILE A 43 -2.602 11.004 -9.473 1.00 1.57 H new ATOM 0 HD12 ILE A 43 -3.102 9.341 -9.865 1.00 1.57 H new ATOM 0 HD13 ILE A 43 -4.290 10.665 -9.923 1.00 1.57 H new ATOM 666 N SER A 44 -2.299 7.431 -7.071 1.00 0.84 N ATOM 667 CA SER A 44 -1.116 6.613 -7.485 1.00 0.88 C ATOM 668 C SER A 44 -0.900 5.442 -6.512 1.00 0.83 C ATOM 669 O SER A 44 0.031 5.433 -5.726 1.00 0.90 O ATOM 670 CB SER A 44 0.079 7.577 -7.442 1.00 0.99 C ATOM 671 OG SER A 44 -0.342 8.851 -6.957 1.00 1.25 O ATOM 0 H SER A 44 -2.064 8.334 -6.659 1.00 0.84 H new ATOM 0 HA SER A 44 -1.251 6.177 -8.475 1.00 0.88 H new ATOM 0 HB2 SER A 44 0.860 7.173 -6.798 1.00 0.99 H new ATOM 0 HB3 SER A 44 0.509 7.681 -8.438 1.00 0.99 H new ATOM 0 HG SER A 44 0.380 9.502 -7.079 1.00 1.25 H new ATOM 677 N GLN A 45 -1.755 4.453 -6.569 1.00 0.83 N ATOM 678 CA GLN A 45 -1.608 3.270 -5.659 1.00 0.87 C ATOM 679 C GLN A 45 -0.471 2.349 -6.152 1.00 0.94 C ATOM 680 O GLN A 45 0.110 1.609 -5.382 1.00 1.05 O ATOM 681 CB GLN A 45 -2.972 2.561 -5.698 1.00 0.89 C ATOM 682 CG GLN A 45 -3.995 3.395 -4.907 1.00 1.00 C ATOM 683 CD GLN A 45 -5.421 2.829 -5.042 1.00 0.85 C ATOM 684 OE1 GLN A 45 -6.340 3.348 -4.443 1.00 1.17 O ATOM 685 NE2 GLN A 45 -5.661 1.794 -5.792 1.00 0.86 N ATOM 0 H GLN A 45 -2.550 4.411 -7.206 1.00 0.83 H new ATOM 0 HA GLN A 45 -1.342 3.557 -4.642 1.00 0.87 H new ATOM 0 HB2 GLN A 45 -3.303 2.439 -6.729 1.00 0.89 H new ATOM 0 HB3 GLN A 45 -2.889 1.562 -5.270 1.00 0.89 H new ATOM 0 HG2 GLN A 45 -3.711 3.417 -3.855 1.00 1.00 H new ATOM 0 HG3 GLN A 45 -3.977 4.425 -5.263 1.00 1.00 H new ATOM 0 HE21 GLN A 45 -4.900 1.346 -6.302 1.00 0.86 H new ATOM 0 HE22 GLN A 45 -6.611 1.430 -5.870 1.00 0.86 H new ATOM 694 N SER A 46 -0.141 2.409 -7.426 1.00 0.96 N ATOM 695 CA SER A 46 0.970 1.562 -7.989 1.00 1.08 C ATOM 696 C SER A 46 0.816 0.082 -7.602 1.00 1.09 C ATOM 697 O SER A 46 1.787 -0.598 -7.318 1.00 1.21 O ATOM 698 CB SER A 46 2.258 2.143 -7.396 1.00 1.22 C ATOM 699 OG SER A 46 3.234 2.256 -8.427 1.00 1.37 O ATOM 0 H SER A 46 -0.599 3.015 -8.107 1.00 0.96 H new ATOM 0 HA SER A 46 0.967 1.585 -9.079 1.00 1.08 H new ATOM 0 HB2 SER A 46 2.062 3.120 -6.955 1.00 1.22 H new ATOM 0 HB3 SER A 46 2.628 1.501 -6.597 1.00 1.22 H new ATOM 0 HG SER A 46 4.061 2.629 -8.055 1.00 1.37 H new ATOM 705 N GLU A 47 -0.391 -0.423 -7.598 1.00 1.02 N ATOM 706 CA GLU A 47 -0.604 -1.857 -7.241 1.00 1.09 C ATOM 707 C GLU A 47 -0.328 -2.755 -8.459 1.00 1.13 C ATOM 708 O GLU A 47 0.052 -2.278 -9.519 1.00 1.13 O ATOM 709 CB GLU A 47 -2.075 -1.956 -6.788 1.00 1.07 C ATOM 710 CG GLU A 47 -3.030 -1.680 -7.964 1.00 1.01 C ATOM 711 CD GLU A 47 -3.501 -0.224 -7.919 1.00 0.95 C ATOM 712 OE1 GLU A 47 -2.754 0.634 -8.366 1.00 0.95 O ATOM 713 OE2 GLU A 47 -4.598 0.010 -7.443 1.00 0.99 O ATOM 0 H GLU A 47 -1.238 0.096 -7.827 1.00 1.02 H new ATOM 0 HA GLU A 47 0.071 -2.191 -6.453 1.00 1.09 H new ATOM 0 HB2 GLU A 47 -2.269 -2.949 -6.382 1.00 1.07 H new ATOM 0 HB3 GLU A 47 -2.262 -1.241 -5.986 1.00 1.07 H new ATOM 0 HG2 GLU A 47 -2.525 -1.879 -8.909 1.00 1.01 H new ATOM 0 HG3 GLU A 47 -3.888 -2.351 -7.913 1.00 1.01 H new ATOM 720 N ASP A 48 -0.515 -4.046 -8.328 1.00 1.20 N ATOM 721 CA ASP A 48 -0.265 -4.961 -9.488 1.00 1.27 C ATOM 722 C ASP A 48 -1.319 -4.733 -10.588 1.00 1.21 C ATOM 723 O ASP A 48 -2.198 -3.900 -10.455 1.00 1.14 O ATOM 724 CB ASP A 48 -0.373 -6.378 -8.912 1.00 1.36 C ATOM 725 CG ASP A 48 0.683 -7.272 -9.556 1.00 1.53 C ATOM 726 OD1 ASP A 48 0.576 -7.518 -10.748 1.00 1.44 O ATOM 727 OD2 ASP A 48 1.579 -7.696 -8.848 1.00 2.30 O ATOM 0 H ASP A 48 -0.828 -4.505 -7.473 1.00 1.20 H new ATOM 0 HA ASP A 48 0.708 -4.786 -9.948 1.00 1.27 H new ATOM 0 HB2 ASP A 48 -0.234 -6.354 -7.831 1.00 1.36 H new ATOM 0 HB3 ASP A 48 -1.368 -6.782 -9.097 1.00 1.36 H new ATOM 732 N GLU A 49 -1.240 -5.461 -11.673 1.00 1.26 N ATOM 733 CA GLU A 49 -2.240 -5.277 -12.770 1.00 1.23 C ATOM 734 C GLU A 49 -3.586 -5.901 -12.359 1.00 1.22 C ATOM 735 O GLU A 49 -3.770 -7.103 -12.420 1.00 1.46 O ATOM 736 CB GLU A 49 -1.650 -5.997 -13.992 1.00 1.34 C ATOM 737 CG GLU A 49 -0.382 -5.270 -14.473 1.00 1.39 C ATOM 738 CD GLU A 49 -0.743 -3.900 -15.051 1.00 1.39 C ATOM 739 OE1 GLU A 49 -1.320 -3.860 -16.124 1.00 1.42 O ATOM 740 OE2 GLU A 49 -0.425 -2.904 -14.413 1.00 1.45 O ATOM 0 H GLU A 49 -0.530 -6.172 -11.847 1.00 1.26 H new ATOM 0 HA GLU A 49 -2.428 -4.225 -12.986 1.00 1.23 H new ATOM 0 HB2 GLU A 49 -1.412 -7.029 -13.736 1.00 1.34 H new ATOM 0 HB3 GLU A 49 -2.386 -6.030 -14.795 1.00 1.34 H new ATOM 0 HG2 GLU A 49 0.314 -5.150 -13.643 1.00 1.39 H new ATOM 0 HG3 GLU A 49 0.124 -5.870 -15.229 1.00 1.39 H new ATOM 747 N GLU A 50 -4.524 -5.092 -11.929 1.00 1.06 N ATOM 748 CA GLU A 50 -5.845 -5.628 -11.503 1.00 1.04 C ATOM 749 C GLU A 50 -6.973 -5.109 -12.406 1.00 0.95 C ATOM 750 O GLU A 50 -6.883 -4.057 -13.017 1.00 0.95 O ATOM 751 CB GLU A 50 -6.032 -5.125 -10.068 1.00 1.03 C ATOM 752 CG GLU A 50 -6.798 -6.173 -9.249 1.00 1.19 C ATOM 753 CD GLU A 50 -8.272 -6.176 -9.657 1.00 1.33 C ATOM 754 OE1 GLU A 50 -8.929 -5.165 -9.472 1.00 1.89 O ATOM 755 OE2 GLU A 50 -8.720 -7.194 -10.163 1.00 1.46 O ATOM 0 H GLU A 50 -4.426 -4.079 -11.856 1.00 1.06 H new ATOM 0 HA GLU A 50 -5.878 -6.716 -11.569 1.00 1.04 H new ATOM 0 HB2 GLU A 50 -5.062 -4.930 -9.611 1.00 1.03 H new ATOM 0 HB3 GLU A 50 -6.578 -4.182 -10.071 1.00 1.03 H new ATOM 0 HG2 GLU A 50 -6.365 -7.160 -9.410 1.00 1.19 H new ATOM 0 HG3 GLU A 50 -6.706 -5.954 -8.185 1.00 1.19 H new ATOM 762 N SER A 51 -8.037 -5.857 -12.470 1.00 1.00 N ATOM 763 CA SER A 51 -9.225 -5.461 -13.309 1.00 0.98 C ATOM 764 C SER A 51 -10.430 -6.415 -13.132 1.00 1.05 C ATOM 765 O SER A 51 -11.515 -6.118 -13.595 1.00 1.23 O ATOM 766 CB SER A 51 -8.730 -5.500 -14.755 1.00 1.11 C ATOM 767 OG SER A 51 -8.430 -4.172 -15.173 1.00 1.05 O ATOM 0 H SER A 51 -8.145 -6.741 -11.973 1.00 1.00 H new ATOM 0 HA SER A 51 -9.587 -4.477 -13.010 1.00 0.98 H new ATOM 0 HB2 SER A 51 -7.844 -6.130 -14.834 1.00 1.11 H new ATOM 0 HB3 SER A 51 -9.490 -5.937 -15.403 1.00 1.11 H new ATOM 0 HG SER A 51 -7.808 -3.761 -14.537 1.00 1.05 H new ATOM 773 N ILE A 52 -10.268 -7.545 -12.480 1.00 1.30 N ATOM 774 CA ILE A 52 -11.419 -8.483 -12.295 1.00 1.43 C ATOM 775 C ILE A 52 -12.276 -8.042 -11.099 1.00 1.33 C ATOM 776 O ILE A 52 -13.491 -8.068 -11.159 1.00 1.36 O ATOM 777 CB ILE A 52 -10.784 -9.857 -12.019 1.00 1.70 C ATOM 778 CG1 ILE A 52 -9.851 -10.257 -13.172 1.00 1.87 C ATOM 779 CG2 ILE A 52 -11.881 -10.913 -11.868 1.00 1.87 C ATOM 780 CD1 ILE A 52 -10.657 -10.467 -14.462 1.00 1.94 C ATOM 0 H ILE A 52 -9.388 -7.856 -12.069 1.00 1.30 H new ATOM 0 HA ILE A 52 -12.072 -8.505 -13.168 1.00 1.43 H new ATOM 0 HB ILE A 52 -10.205 -9.793 -11.098 1.00 1.70 H new ATOM 0 HG12 ILE A 52 -9.100 -9.482 -13.327 1.00 1.87 H new ATOM 0 HG13 ILE A 52 -9.317 -11.172 -12.916 1.00 1.87 H new ATOM 0 HG21 ILE A 52 -11.427 -11.884 -11.673 1.00 1.87 H new ATOM 0 HG22 ILE A 52 -12.533 -10.644 -11.037 1.00 1.87 H new ATOM 0 HG23 ILE A 52 -12.466 -10.964 -12.786 1.00 1.87 H new ATOM 0 HD11 ILE A 52 -9.983 -10.750 -15.270 1.00 1.94 H new ATOM 0 HD12 ILE A 52 -11.391 -11.258 -14.308 1.00 1.94 H new ATOM 0 HD13 ILE A 52 -11.170 -9.542 -14.725 1.00 1.94 H new ATOM 792 N VAL A 53 -11.657 -7.641 -10.014 1.00 1.32 N ATOM 793 CA VAL A 53 -12.457 -7.206 -8.820 1.00 1.35 C ATOM 794 C VAL A 53 -12.632 -5.679 -8.796 1.00 1.16 C ATOM 795 O VAL A 53 -13.705 -5.186 -8.489 1.00 1.17 O ATOM 796 CB VAL A 53 -11.699 -7.708 -7.571 1.00 1.63 C ATOM 797 CG1 VAL A 53 -11.422 -9.209 -7.699 1.00 1.87 C ATOM 798 CG2 VAL A 53 -10.365 -6.974 -7.404 1.00 1.62 C ATOM 0 H VAL A 53 -10.644 -7.595 -9.902 1.00 1.32 H new ATOM 0 HA VAL A 53 -13.463 -7.625 -8.852 1.00 1.35 H new ATOM 0 HB VAL A 53 -12.324 -7.512 -6.699 1.00 1.63 H new ATOM 0 HG11 VAL A 53 -10.887 -9.557 -6.815 1.00 1.87 H new ATOM 0 HG12 VAL A 53 -12.366 -9.747 -7.787 1.00 1.87 H new ATOM 0 HG13 VAL A 53 -10.815 -9.393 -8.586 1.00 1.87 H new ATOM 0 HG21 VAL A 53 -9.853 -7.347 -6.517 1.00 1.62 H new ATOM 0 HG22 VAL A 53 -9.743 -7.146 -8.282 1.00 1.62 H new ATOM 0 HG23 VAL A 53 -10.549 -5.905 -7.294 1.00 1.62 H new ATOM 808 N GLY A 54 -11.604 -4.927 -9.123 1.00 1.08 N ATOM 809 CA GLY A 54 -11.717 -3.431 -9.120 1.00 0.99 C ATOM 810 C GLY A 54 -12.945 -2.986 -9.922 1.00 0.82 C ATOM 811 O GLY A 54 -13.697 -2.133 -9.490 1.00 0.94 O ATOM 0 H GLY A 54 -10.689 -5.287 -9.393 1.00 1.08 H new ATOM 0 HA2 GLY A 54 -11.793 -3.068 -8.095 1.00 0.99 H new ATOM 0 HA3 GLY A 54 -10.816 -2.991 -9.548 1.00 0.99 H new ATOM 815 N ASP A 55 -13.161 -3.563 -11.078 1.00 0.68 N ATOM 816 CA ASP A 55 -14.351 -3.179 -11.900 1.00 0.66 C ATOM 817 C ASP A 55 -15.416 -4.284 -11.838 1.00 0.67 C ATOM 818 O ASP A 55 -16.216 -4.449 -12.741 1.00 0.89 O ATOM 819 CB ASP A 55 -13.816 -2.997 -13.330 1.00 0.75 C ATOM 820 CG ASP A 55 -12.630 -2.033 -13.325 1.00 0.71 C ATOM 821 OD1 ASP A 55 -12.859 -0.837 -13.309 1.00 0.93 O ATOM 822 OD2 ASP A 55 -11.505 -2.513 -13.349 1.00 0.81 O ATOM 0 H ASP A 55 -12.566 -4.283 -11.488 1.00 0.68 H new ATOM 0 HA ASP A 55 -14.829 -2.268 -11.539 1.00 0.66 H new ATOM 0 HB2 ASP A 55 -13.511 -3.960 -13.738 1.00 0.75 H new ATOM 0 HB3 ASP A 55 -14.605 -2.613 -13.976 1.00 0.75 H new ATOM 827 N GLY A 56 -15.436 -5.026 -10.760 1.00 0.60 N ATOM 828 CA GLY A 56 -16.439 -6.114 -10.593 1.00 0.68 C ATOM 829 C GLY A 56 -17.045 -6.015 -9.192 1.00 0.75 C ATOM 830 O GLY A 56 -18.212 -6.299 -8.996 1.00 0.91 O ATOM 0 H GLY A 56 -14.789 -4.920 -9.979 1.00 0.60 H new ATOM 0 HA2 GLY A 56 -17.220 -6.027 -11.349 1.00 0.68 H new ATOM 0 HA3 GLY A 56 -15.967 -7.087 -10.732 1.00 0.68 H new ATOM 834 N GLU A 57 -16.264 -5.602 -8.213 1.00 0.77 N ATOM 835 CA GLU A 57 -16.808 -5.482 -6.828 1.00 0.96 C ATOM 836 C GLU A 57 -18.030 -4.555 -6.818 1.00 1.01 C ATOM 837 O GLU A 57 -18.983 -4.782 -6.099 1.00 1.17 O ATOM 838 CB GLU A 57 -15.674 -4.896 -5.970 1.00 1.04 C ATOM 839 CG GLU A 57 -15.493 -5.744 -4.698 1.00 1.12 C ATOM 840 CD GLU A 57 -15.952 -4.958 -3.462 1.00 1.59 C ATOM 841 OE1 GLU A 57 -15.428 -3.877 -3.225 1.00 1.57 O ATOM 842 OE2 GLU A 57 -16.812 -5.453 -2.760 1.00 2.49 O ATOM 0 H GLU A 57 -15.282 -5.346 -8.319 1.00 0.77 H new ATOM 0 HA GLU A 57 -17.133 -6.447 -6.440 1.00 0.96 H new ATOM 0 HB2 GLU A 57 -14.746 -4.877 -6.541 1.00 1.04 H new ATOM 0 HB3 GLU A 57 -15.904 -3.865 -5.701 1.00 1.04 H new ATOM 0 HG2 GLU A 57 -16.067 -6.667 -4.784 1.00 1.12 H new ATOM 0 HG3 GLU A 57 -14.446 -6.028 -4.588 1.00 1.12 H new ATOM 849 N THR A 58 -18.013 -3.515 -7.629 1.00 0.98 N ATOM 850 CA THR A 58 -19.177 -2.565 -7.687 1.00 1.13 C ATOM 851 C THR A 58 -19.533 -2.072 -6.277 1.00 1.25 C ATOM 852 O THR A 58 -20.687 -2.015 -5.892 1.00 1.47 O ATOM 853 CB THR A 58 -20.335 -3.374 -8.299 1.00 1.22 C ATOM 854 OG1 THR A 58 -19.864 -4.110 -9.424 1.00 1.17 O ATOM 855 CG2 THR A 58 -21.442 -2.423 -8.754 1.00 1.47 C ATOM 0 H THR A 58 -17.241 -3.284 -8.254 1.00 0.98 H new ATOM 0 HA THR A 58 -18.954 -1.678 -8.280 1.00 1.13 H new ATOM 0 HB THR A 58 -20.725 -4.061 -7.548 1.00 1.22 H new ATOM 0 HG1 THR A 58 -19.389 -4.910 -9.116 1.00 1.17 H new ATOM 0 HG21 THR A 58 -22.261 -2.998 -9.187 1.00 1.47 H new ATOM 0 HG22 THR A 58 -21.809 -1.856 -7.898 1.00 1.47 H new ATOM 0 HG23 THR A 58 -21.047 -1.735 -9.502 1.00 1.47 H new ATOM 863 N LYS A 59 -18.536 -1.717 -5.507 1.00 1.21 N ATOM 864 CA LYS A 59 -18.778 -1.229 -4.116 1.00 1.35 C ATOM 865 C LYS A 59 -18.207 0.188 -3.947 1.00 1.29 C ATOM 866 O LYS A 59 -17.629 0.740 -4.865 1.00 1.23 O ATOM 867 CB LYS A 59 -18.021 -2.225 -3.232 1.00 1.43 C ATOM 868 CG LYS A 59 -18.921 -2.695 -2.085 1.00 1.71 C ATOM 869 CD LYS A 59 -18.294 -2.287 -0.747 1.00 1.80 C ATOM 870 CE LYS A 59 -17.307 -3.364 -0.281 1.00 1.85 C ATOM 871 NZ LYS A 59 -15.980 -2.967 -0.848 1.00 1.67 N ATOM 0 H LYS A 59 -17.555 -1.745 -5.786 1.00 1.21 H new ATOM 0 HA LYS A 59 -19.837 -1.172 -3.864 1.00 1.35 H new ATOM 0 HB2 LYS A 59 -17.699 -3.080 -3.826 1.00 1.43 H new ATOM 0 HB3 LYS A 59 -17.121 -1.758 -2.832 1.00 1.43 H new ATOM 0 HG2 LYS A 59 -19.914 -2.256 -2.183 1.00 1.71 H new ATOM 0 HG3 LYS A 59 -19.046 -3.777 -2.126 1.00 1.71 H new ATOM 0 HD2 LYS A 59 -17.780 -1.332 -0.853 1.00 1.80 H new ATOM 0 HD3 LYS A 59 -19.074 -2.148 0.002 1.00 1.80 H new ATOM 0 HE2 LYS A 59 -17.269 -3.416 0.807 1.00 1.85 H new ATOM 0 HE3 LYS A 59 -17.606 -4.350 -0.637 1.00 1.85 H new ATOM 0 HZ1 LYS A 59 -15.228 -3.525 -0.395 1.00 1.67 H new ATOM 0 HZ2 LYS A 59 -15.973 -3.144 -1.873 1.00 1.67 H new ATOM 0 HZ3 LYS A 59 -15.815 -1.956 -0.671 1.00 1.67 H new ATOM 885 N GLU A 60 -18.352 0.768 -2.777 1.00 1.34 N ATOM 886 CA GLU A 60 -17.807 2.146 -2.527 1.00 1.30 C ATOM 887 C GLU A 60 -18.303 3.145 -3.595 1.00 1.27 C ATOM 888 O GLU A 60 -17.586 3.475 -4.524 1.00 1.25 O ATOM 889 CB GLU A 60 -16.287 1.966 -2.593 1.00 1.27 C ATOM 890 CG GLU A 60 -15.721 1.821 -1.174 1.00 1.36 C ATOM 891 CD GLU A 60 -16.208 0.510 -0.553 1.00 1.48 C ATOM 892 OE1 GLU A 60 -15.606 -0.519 -0.828 1.00 1.55 O ATOM 893 OE2 GLU A 60 -17.177 0.552 0.185 1.00 1.66 O ATOM 0 H GLU A 60 -18.827 0.345 -1.980 1.00 1.34 H new ATOM 0 HA GLU A 60 -18.134 2.557 -1.572 1.00 1.30 H new ATOM 0 HB2 GLU A 60 -16.041 1.084 -3.185 1.00 1.27 H new ATOM 0 HB3 GLU A 60 -15.831 2.822 -3.091 1.00 1.27 H new ATOM 0 HG2 GLU A 60 -14.632 1.837 -1.204 1.00 1.36 H new ATOM 0 HG3 GLU A 60 -16.036 2.664 -0.559 1.00 1.36 H new ATOM 900 N PRO A 61 -19.525 3.597 -3.426 1.00 1.34 N ATOM 901 CA PRO A 61 -20.128 4.561 -4.393 1.00 1.39 C ATOM 902 C PRO A 61 -19.562 5.991 -4.247 1.00 1.38 C ATOM 903 O PRO A 61 -20.093 6.923 -4.820 1.00 1.81 O ATOM 904 CB PRO A 61 -21.614 4.531 -4.037 1.00 1.58 C ATOM 905 CG PRO A 61 -21.670 4.102 -2.604 1.00 1.61 C ATOM 906 CD PRO A 61 -20.452 3.258 -2.336 1.00 1.47 C ATOM 0 HA PRO A 61 -19.914 4.285 -5.426 1.00 1.39 H new ATOM 0 HB2 PRO A 61 -22.070 5.512 -4.172 1.00 1.58 H new ATOM 0 HB3 PRO A 61 -22.158 3.836 -4.677 1.00 1.58 H new ATOM 0 HG2 PRO A 61 -21.688 4.970 -1.945 1.00 1.61 H new ATOM 0 HG3 PRO A 61 -22.580 3.535 -2.409 1.00 1.61 H new ATOM 0 HD2 PRO A 61 -20.019 3.484 -1.361 1.00 1.47 H new ATOM 0 HD3 PRO A 61 -20.696 2.196 -2.338 1.00 1.47 H new ATOM 914 N PHE A 62 -18.498 6.186 -3.503 1.00 1.11 N ATOM 915 CA PHE A 62 -17.937 7.565 -3.356 1.00 1.08 C ATOM 916 C PHE A 62 -16.917 7.850 -4.467 1.00 0.91 C ATOM 917 O PHE A 62 -16.181 6.978 -4.888 1.00 0.78 O ATOM 918 CB PHE A 62 -17.263 7.604 -1.975 1.00 1.09 C ATOM 919 CG PHE A 62 -18.217 7.106 -0.910 1.00 1.29 C ATOM 920 CD1 PHE A 62 -19.349 7.857 -0.571 1.00 2.31 C ATOM 921 CD2 PHE A 62 -17.970 5.886 -0.268 1.00 1.16 C ATOM 922 CE1 PHE A 62 -20.229 7.393 0.421 1.00 2.54 C ATOM 923 CE2 PHE A 62 -18.850 5.422 0.719 1.00 1.32 C ATOM 924 CZ PHE A 62 -19.981 6.172 1.061 1.00 1.78 C ATOM 0 H PHE A 62 -17.998 5.456 -2.996 1.00 1.11 H new ATOM 0 HA PHE A 62 -18.715 8.324 -3.438 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -16.364 6.988 -1.984 1.00 1.09 H new ATOM 0 HB3 PHE A 62 -16.949 8.622 -1.745 1.00 1.09 H new ATOM 0 HD1 PHE A 62 -19.546 8.793 -1.072 1.00 2.31 H new ATOM 0 HD2 PHE A 62 -17.101 5.303 -0.534 1.00 1.16 H new ATOM 0 HE1 PHE A 62 -21.096 7.978 0.690 1.00 2.54 H new ATOM 0 HE2 PHE A 62 -18.655 4.484 1.217 1.00 1.32 H new ATOM 0 HZ PHE A 62 -20.662 5.810 1.817 1.00 1.78 H new ATOM 934 N LEU A 63 -16.868 9.068 -4.946 1.00 1.00 N ATOM 935 CA LEU A 63 -15.897 9.415 -6.039 1.00 0.94 C ATOM 936 C LEU A 63 -14.453 9.124 -5.604 1.00 0.76 C ATOM 937 O LEU A 63 -13.642 8.665 -6.391 1.00 0.71 O ATOM 938 CB LEU A 63 -16.100 10.915 -6.297 1.00 1.16 C ATOM 939 CG LEU A 63 -17.305 11.125 -7.217 1.00 1.34 C ATOM 940 CD1 LEU A 63 -18.088 12.361 -6.761 1.00 1.59 C ATOM 941 CD2 LEU A 63 -16.817 11.333 -8.653 1.00 1.52 C ATOM 0 H LEU A 63 -17.456 9.839 -4.630 1.00 1.00 H new ATOM 0 HA LEU A 63 -16.069 8.822 -6.937 1.00 0.94 H new ATOM 0 HB2 LEU A 63 -16.256 11.438 -5.353 1.00 1.16 H new ATOM 0 HB3 LEU A 63 -15.205 11.339 -6.752 1.00 1.16 H new ATOM 0 HG LEU A 63 -17.952 10.249 -7.174 1.00 1.34 H new ATOM 0 HD11 LEU A 63 -18.946 12.510 -7.416 1.00 1.59 H new ATOM 0 HD12 LEU A 63 -18.434 12.215 -5.738 1.00 1.59 H new ATOM 0 HD13 LEU A 63 -17.442 13.238 -6.804 1.00 1.59 H new ATOM 0 HD21 LEU A 63 -17.674 11.483 -9.310 1.00 1.52 H new ATOM 0 HD22 LEU A 63 -16.170 12.210 -8.694 1.00 1.52 H new ATOM 0 HD23 LEU A 63 -16.259 10.455 -8.978 1.00 1.52 H new ATOM 953 N LEU A 64 -14.140 9.375 -4.358 1.00 0.76 N ATOM 954 CA LEU A 64 -12.753 9.106 -3.845 1.00 0.66 C ATOM 955 C LEU A 64 -12.360 7.653 -4.135 1.00 0.53 C ATOM 956 O LEU A 64 -11.390 7.391 -4.815 1.00 0.54 O ATOM 957 CB LEU A 64 -12.823 9.348 -2.330 1.00 0.78 C ATOM 958 CG LEU A 64 -11.767 10.372 -1.917 1.00 1.09 C ATOM 959 CD1 LEU A 64 -12.444 11.717 -1.648 1.00 1.62 C ATOM 960 CD2 LEU A 64 -11.062 9.890 -0.645 1.00 1.59 C ATOM 0 H LEU A 64 -14.786 9.757 -3.667 1.00 0.76 H new ATOM 0 HA LEU A 64 -12.009 9.745 -4.321 1.00 0.66 H new ATOM 0 HB2 LEU A 64 -13.815 9.706 -2.056 1.00 0.78 H new ATOM 0 HB3 LEU A 64 -12.663 8.412 -1.796 1.00 0.78 H new ATOM 0 HG LEU A 64 -11.035 10.487 -2.716 1.00 1.09 H new ATOM 0 HD11 LEU A 64 -11.693 12.450 -1.353 1.00 1.62 H new ATOM 0 HD12 LEU A 64 -12.948 12.058 -2.552 1.00 1.62 H new ATOM 0 HD13 LEU A 64 -13.174 11.603 -0.847 1.00 1.62 H new ATOM 0 HD21 LEU A 64 -10.308 10.619 -0.348 1.00 1.59 H new ATOM 0 HD22 LEU A 64 -11.793 9.778 0.156 1.00 1.59 H new ATOM 0 HD23 LEU A 64 -10.583 8.930 -0.836 1.00 1.59 H new ATOM 972 N VAL A 65 -13.116 6.712 -3.629 1.00 0.52 N ATOM 973 CA VAL A 65 -12.791 5.270 -3.883 1.00 0.51 C ATOM 974 C VAL A 65 -13.036 4.923 -5.356 1.00 0.43 C ATOM 975 O VAL A 65 -12.287 4.165 -5.946 1.00 0.52 O ATOM 976 CB VAL A 65 -13.679 4.408 -2.954 1.00 0.65 C ATOM 977 CG1 VAL A 65 -12.920 4.093 -1.666 1.00 1.62 C ATOM 978 CG2 VAL A 65 -14.990 5.117 -2.592 1.00 1.49 C ATOM 0 H VAL A 65 -13.942 6.876 -3.053 1.00 0.52 H new ATOM 0 HA VAL A 65 -11.740 5.073 -3.672 1.00 0.51 H new ATOM 0 HB VAL A 65 -13.922 3.492 -3.493 1.00 0.65 H new ATOM 0 HG11 VAL A 65 -13.547 3.486 -1.013 1.00 1.62 H new ATOM 0 HG12 VAL A 65 -12.009 3.545 -1.905 1.00 1.62 H new ATOM 0 HG13 VAL A 65 -12.662 5.023 -1.159 1.00 1.62 H new ATOM 0 HG21 VAL A 65 -15.582 4.476 -1.939 1.00 1.49 H new ATOM 0 HG22 VAL A 65 -14.768 6.052 -2.078 1.00 1.49 H new ATOM 0 HG23 VAL A 65 -15.553 5.327 -3.501 1.00 1.49 H new ATOM 988 N GLN A 66 -14.057 5.489 -5.962 1.00 0.44 N ATOM 989 CA GLN A 66 -14.321 5.201 -7.412 1.00 0.49 C ATOM 990 C GLN A 66 -13.075 5.545 -8.232 1.00 0.55 C ATOM 991 O GLN A 66 -12.558 4.731 -8.973 1.00 0.66 O ATOM 992 CB GLN A 66 -15.504 6.096 -7.807 1.00 0.65 C ATOM 993 CG GLN A 66 -16.608 5.245 -8.449 1.00 0.78 C ATOM 994 CD GLN A 66 -17.404 6.095 -9.442 1.00 1.39 C ATOM 995 OE1 GLN A 66 -16.891 6.487 -10.473 1.00 1.59 O ATOM 996 NE2 GLN A 66 -18.641 6.398 -9.178 1.00 2.12 N ATOM 0 H GLN A 66 -14.714 6.132 -5.520 1.00 0.44 H new ATOM 0 HA GLN A 66 -14.551 4.151 -7.593 1.00 0.49 H new ATOM 0 HB2 GLN A 66 -15.893 6.609 -6.928 1.00 0.65 H new ATOM 0 HB3 GLN A 66 -15.173 6.865 -8.505 1.00 0.65 H new ATOM 0 HG2 GLN A 66 -16.169 4.388 -8.960 1.00 0.78 H new ATOM 0 HG3 GLN A 66 -17.271 4.852 -7.679 1.00 0.78 H new ATOM 0 HE21 GLN A 66 -19.073 6.070 -8.314 1.00 2.12 H new ATOM 0 HE22 GLN A 66 -19.179 6.963 -9.835 1.00 2.12 H new ATOM 1005 N TYR A 67 -12.576 6.742 -8.077 1.00 0.59 N ATOM 1006 CA TYR A 67 -11.341 7.149 -8.818 1.00 0.72 C ATOM 1007 C TYR A 67 -10.134 6.390 -8.258 1.00 0.69 C ATOM 1008 O TYR A 67 -9.274 5.953 -8.995 1.00 0.82 O ATOM 1009 CB TYR A 67 -11.202 8.662 -8.600 1.00 0.80 C ATOM 1010 CG TYR A 67 -11.895 9.384 -9.732 1.00 0.94 C ATOM 1011 CD1 TYR A 67 -13.272 9.632 -9.663 1.00 1.13 C ATOM 1012 CD2 TYR A 67 -11.169 9.787 -10.859 1.00 1.14 C ATOM 1013 CE1 TYR A 67 -13.918 10.286 -10.718 1.00 1.31 C ATOM 1014 CE2 TYR A 67 -11.818 10.436 -11.917 1.00 1.33 C ATOM 1015 CZ TYR A 67 -13.191 10.684 -11.845 1.00 1.33 C ATOM 1016 OH TYR A 67 -13.834 11.308 -12.890 1.00 1.57 O ATOM 0 H TYR A 67 -12.970 7.459 -7.468 1.00 0.59 H new ATOM 0 HA TYR A 67 -11.398 6.917 -9.882 1.00 0.72 H new ATOM 0 HB2 TYR A 67 -11.643 8.947 -7.645 1.00 0.80 H new ATOM 0 HB3 TYR A 67 -10.149 8.942 -8.562 1.00 0.80 H new ATOM 0 HD1 TYR A 67 -13.835 9.319 -8.796 1.00 1.13 H new ATOM 0 HD2 TYR A 67 -10.107 9.597 -10.913 1.00 1.14 H new ATOM 0 HE1 TYR A 67 -14.978 10.484 -10.662 1.00 1.31 H new ATOM 0 HE2 TYR A 67 -11.258 10.744 -12.787 1.00 1.33 H new ATOM 0 HH TYR A 67 -14.221 10.633 -13.486 1.00 1.57 H new ATOM 1026 N SER A 68 -10.088 6.212 -6.963 1.00 0.61 N ATOM 1027 CA SER A 68 -8.954 5.457 -6.337 1.00 0.68 C ATOM 1028 C SER A 68 -8.863 4.043 -6.926 1.00 0.71 C ATOM 1029 O SER A 68 -7.790 3.548 -7.187 1.00 0.88 O ATOM 1030 CB SER A 68 -9.282 5.390 -4.844 1.00 0.68 C ATOM 1031 OG SER A 68 -8.122 4.989 -4.117 1.00 0.88 O ATOM 0 H SER A 68 -10.789 6.557 -6.307 1.00 0.61 H new ATOM 0 HA SER A 68 -7.996 5.943 -6.520 1.00 0.68 H new ATOM 0 HB2 SER A 68 -9.625 6.363 -4.493 1.00 0.68 H new ATOM 0 HB3 SER A 68 -10.094 4.684 -4.671 1.00 0.68 H new ATOM 0 HG SER A 68 -7.609 4.345 -4.649 1.00 0.88 H new ATOM 1037 N ALA A 69 -9.982 3.389 -7.136 1.00 0.60 N ATOM 1038 CA ALA A 69 -9.945 2.006 -7.710 1.00 0.65 C ATOM 1039 C ALA A 69 -9.945 2.048 -9.243 1.00 0.67 C ATOM 1040 O ALA A 69 -9.159 1.377 -9.891 1.00 0.73 O ATOM 1041 CB ALA A 69 -11.209 1.317 -7.186 1.00 0.65 C ATOM 0 H ALA A 69 -10.914 3.751 -6.936 1.00 0.60 H new ATOM 0 HA ALA A 69 -9.040 1.473 -7.418 1.00 0.65 H new ATOM 0 HB1 ALA A 69 -11.251 0.296 -7.566 1.00 0.65 H new ATOM 0 HB2 ALA A 69 -11.188 1.298 -6.096 1.00 0.65 H new ATOM 0 HB3 ALA A 69 -12.089 1.866 -7.522 1.00 0.65 H new ATOM 1047 N LYS A 70 -10.817 2.830 -9.827 1.00 0.68 N ATOM 1048 CA LYS A 70 -10.872 2.908 -11.322 1.00 0.74 C ATOM 1049 C LYS A 70 -9.596 3.533 -11.894 1.00 0.71 C ATOM 1050 O LYS A 70 -9.150 3.148 -12.948 1.00 0.75 O ATOM 1051 CB LYS A 70 -12.120 3.743 -11.661 1.00 0.80 C ATOM 1052 CG LYS A 70 -11.729 5.178 -12.047 1.00 0.81 C ATOM 1053 CD LYS A 70 -12.961 5.921 -12.571 1.00 0.93 C ATOM 1054 CE LYS A 70 -13.960 6.112 -11.431 1.00 0.87 C ATOM 1055 NZ LYS A 70 -15.083 6.895 -12.019 1.00 1.45 N ATOM 0 H LYS A 70 -11.492 3.417 -9.337 1.00 0.68 H new ATOM 0 HA LYS A 70 -10.937 1.916 -11.769 1.00 0.74 H new ATOM 0 HB2 LYS A 70 -12.663 3.276 -12.483 1.00 0.80 H new ATOM 0 HB3 LYS A 70 -12.793 3.763 -10.804 1.00 0.80 H new ATOM 0 HG2 LYS A 70 -11.318 5.699 -11.182 1.00 0.81 H new ATOM 0 HG3 LYS A 70 -10.950 5.161 -12.809 1.00 0.81 H new ATOM 0 HD2 LYS A 70 -12.669 6.888 -12.980 1.00 0.93 H new ATOM 0 HD3 LYS A 70 -13.422 5.358 -13.383 1.00 0.93 H new ATOM 0 HE2 LYS A 70 -14.308 5.153 -11.048 1.00 0.87 H new ATOM 0 HE3 LYS A 70 -13.506 6.643 -10.595 1.00 0.87 H new ATOM 0 HZ1 LYS A 70 -15.902 6.862 -11.379 1.00 1.45 H new ATOM 0 HZ2 LYS A 70 -14.786 7.883 -12.151 1.00 1.45 H new ATOM 0 HZ3 LYS A 70 -15.346 6.487 -12.939 1.00 1.45 H new ATOM 1069 N GLY A 71 -9.005 4.483 -11.212 1.00 0.69 N ATOM 1070 CA GLY A 71 -7.746 5.124 -11.726 1.00 0.71 C ATOM 1071 C GLY A 71 -6.774 4.040 -12.193 1.00 0.73 C ATOM 1072 O GLY A 71 -6.463 3.956 -13.368 1.00 0.78 O ATOM 0 H GLY A 71 -9.338 4.846 -10.319 1.00 0.69 H new ATOM 0 HA2 GLY A 71 -7.979 5.798 -12.551 1.00 0.71 H new ATOM 0 HA3 GLY A 71 -7.286 5.726 -10.942 1.00 0.71 H new ATOM 1076 N PRO A 72 -6.347 3.220 -11.262 1.00 0.73 N ATOM 1077 CA PRO A 72 -5.426 2.106 -11.600 1.00 0.79 C ATOM 1078 C PRO A 72 -6.154 1.078 -12.475 1.00 0.80 C ATOM 1079 O PRO A 72 -5.652 0.673 -13.500 1.00 0.85 O ATOM 1080 CB PRO A 72 -5.043 1.528 -10.239 1.00 0.83 C ATOM 1081 CG PRO A 72 -6.163 1.915 -9.331 1.00 0.76 C ATOM 1082 CD PRO A 72 -6.670 3.243 -9.826 1.00 0.72 C ATOM 0 HA PRO A 72 -4.549 2.416 -12.169 1.00 0.79 H new ATOM 0 HB2 PRO A 72 -4.929 0.445 -10.287 1.00 0.83 H new ATOM 0 HB3 PRO A 72 -4.093 1.933 -9.890 1.00 0.83 H new ATOM 0 HG2 PRO A 72 -6.954 1.166 -9.349 1.00 0.76 H new ATOM 0 HG3 PRO A 72 -5.819 1.990 -8.300 1.00 0.76 H new ATOM 0 HD2 PRO A 72 -7.741 3.352 -9.657 1.00 0.72 H new ATOM 0 HD3 PRO A 72 -6.181 4.074 -9.318 1.00 0.72 H new ATOM 1090 N CYS A 73 -7.347 0.673 -12.095 1.00 0.78 N ATOM 1091 CA CYS A 73 -8.107 -0.314 -12.933 1.00 0.82 C ATOM 1092 C CYS A 73 -8.205 0.189 -14.379 1.00 0.85 C ATOM 1093 O CYS A 73 -8.060 -0.569 -15.329 1.00 0.91 O ATOM 1094 CB CYS A 73 -9.491 -0.409 -12.286 1.00 0.83 C ATOM 1095 SG CYS A 73 -9.454 -1.662 -10.978 1.00 0.94 S ATOM 0 H CYS A 73 -7.824 0.981 -11.247 1.00 0.78 H new ATOM 0 HA CYS A 73 -7.620 -1.288 -12.973 1.00 0.82 H new ATOM 0 HB2 CYS A 73 -9.779 0.557 -11.872 1.00 0.83 H new ATOM 0 HB3 CYS A 73 -10.238 -0.670 -13.035 1.00 0.83 H new ATOM 0 HG CYS A 73 -9.756 -1.111 -9.840 1.00 0.94 H new ATOM 1101 N VAL A 74 -8.421 1.463 -14.551 1.00 0.83 N ATOM 1102 CA VAL A 74 -8.495 2.040 -15.928 1.00 0.89 C ATOM 1103 C VAL A 74 -7.084 2.112 -16.509 1.00 0.93 C ATOM 1104 O VAL A 74 -6.848 1.706 -17.629 1.00 1.02 O ATOM 1105 CB VAL A 74 -9.106 3.439 -15.763 1.00 0.88 C ATOM 1106 CG1 VAL A 74 -8.859 4.276 -17.022 1.00 1.00 C ATOM 1107 CG2 VAL A 74 -10.614 3.311 -15.538 1.00 0.92 C ATOM 0 H VAL A 74 -8.551 2.135 -13.795 1.00 0.83 H new ATOM 0 HA VAL A 74 -9.099 1.439 -16.608 1.00 0.89 H new ATOM 0 HB VAL A 74 -8.640 3.929 -14.908 1.00 0.88 H new ATOM 0 HG11 VAL A 74 -9.297 5.266 -16.893 1.00 1.00 H new ATOM 0 HG12 VAL A 74 -7.786 4.373 -17.190 1.00 1.00 H new ATOM 0 HG13 VAL A 74 -9.318 3.786 -17.881 1.00 1.00 H new ATOM 0 HG21 VAL A 74 -11.050 4.303 -15.421 1.00 0.92 H new ATOM 0 HG22 VAL A 74 -11.069 2.814 -16.395 1.00 0.92 H new ATOM 0 HG23 VAL A 74 -10.799 2.725 -14.638 1.00 0.92 H new ATOM 1117 N GLU A 75 -6.145 2.600 -15.739 1.00 0.89 N ATOM 1118 CA GLU A 75 -4.728 2.671 -16.226 1.00 0.96 C ATOM 1119 C GLU A 75 -4.284 1.278 -16.698 1.00 1.02 C ATOM 1120 O GLU A 75 -3.678 1.123 -17.745 1.00 1.10 O ATOM 1121 CB GLU A 75 -3.913 3.131 -15.012 1.00 0.94 C ATOM 1122 CG GLU A 75 -2.412 3.042 -15.323 1.00 1.01 C ATOM 1123 CD GLU A 75 -1.739 2.078 -14.343 1.00 1.04 C ATOM 1124 OE1 GLU A 75 -1.799 0.877 -14.580 1.00 1.12 O ATOM 1125 OE2 GLU A 75 -1.170 2.550 -13.375 1.00 1.17 O ATOM 0 H GLU A 75 -6.295 2.953 -14.794 1.00 0.89 H new ATOM 0 HA GLU A 75 -4.599 3.351 -17.068 1.00 0.96 H new ATOM 0 HB2 GLU A 75 -4.179 4.156 -14.752 1.00 0.94 H new ATOM 0 HB3 GLU A 75 -4.151 2.511 -14.148 1.00 0.94 H new ATOM 0 HG2 GLU A 75 -2.263 2.699 -16.347 1.00 1.01 H new ATOM 0 HG3 GLU A 75 -1.956 4.029 -15.248 1.00 1.01 H new ATOM 1132 N ARG A 76 -4.620 0.269 -15.937 1.00 0.99 N ATOM 1133 CA ARG A 76 -4.267 -1.131 -16.320 1.00 1.06 C ATOM 1134 C ARG A 76 -4.982 -1.484 -17.624 1.00 1.09 C ATOM 1135 O ARG A 76 -4.372 -1.937 -18.576 1.00 1.19 O ATOM 1136 CB ARG A 76 -4.777 -2.014 -15.175 1.00 1.02 C ATOM 1137 CG ARG A 76 -3.615 -2.384 -14.250 1.00 1.08 C ATOM 1138 CD ARG A 76 -3.762 -1.636 -12.922 1.00 1.00 C ATOM 1139 NE ARG A 76 -2.487 -0.875 -12.761 1.00 1.01 N ATOM 1140 CZ ARG A 76 -1.646 -1.197 -11.825 1.00 1.04 C ATOM 1141 NH1 ARG A 76 -0.720 -2.065 -12.059 1.00 1.20 N ATOM 1142 NH2 ARG A 76 -1.720 -0.644 -10.660 1.00 1.00 N ATOM 0 H ARG A 76 -5.129 0.356 -15.057 1.00 0.99 H new ATOM 0 HA ARG A 76 -3.197 -1.266 -16.475 1.00 1.06 H new ATOM 0 HB2 ARG A 76 -5.548 -1.487 -14.613 1.00 1.02 H new ATOM 0 HB3 ARG A 76 -5.236 -2.917 -15.577 1.00 1.02 H new ATOM 0 HG2 ARG A 76 -3.604 -3.460 -14.075 1.00 1.08 H new ATOM 0 HG3 ARG A 76 -2.666 -2.128 -14.721 1.00 1.08 H new ATOM 0 HD2 ARG A 76 -4.621 -0.966 -12.940 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -3.915 -2.329 -12.094 1.00 1.00 H new ATOM 0 HE ARG A 76 -2.276 -0.099 -13.389 1.00 1.01 H new ATOM 0 HH11 ARG A 76 -0.648 -2.499 -12.979 1.00 1.20 H new ATOM 0 HH12 ARG A 76 -0.060 -2.317 -11.323 1.00 1.20 H new ATOM 0 HH21 ARG A 76 -2.442 0.051 -10.470 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -1.056 -0.902 -9.930 1.00 1.00 H new ATOM 1156 N LYS A 77 -6.274 -1.249 -17.679 1.00 1.03 N ATOM 1157 CA LYS A 77 -7.036 -1.540 -18.936 1.00 1.09 C ATOM 1158 C LYS A 77 -6.394 -0.781 -20.100 1.00 1.16 C ATOM 1159 O LYS A 77 -6.165 -1.328 -21.163 1.00 1.23 O ATOM 1160 CB LYS A 77 -8.462 -1.046 -18.672 1.00 1.04 C ATOM 1161 CG LYS A 77 -9.314 -2.218 -18.187 1.00 1.04 C ATOM 1162 CD LYS A 77 -10.612 -1.691 -17.569 1.00 0.99 C ATOM 1163 CE LYS A 77 -11.065 -2.631 -16.447 1.00 0.90 C ATOM 1164 NZ LYS A 77 -10.054 -2.473 -15.360 1.00 0.80 N ATOM 0 H LYS A 77 -6.830 -0.871 -16.912 1.00 1.03 H new ATOM 0 HA LYS A 77 -7.033 -2.598 -19.198 1.00 1.09 H new ATOM 0 HB2 LYS A 77 -8.453 -0.253 -17.925 1.00 1.04 H new ATOM 0 HB3 LYS A 77 -8.888 -0.622 -19.582 1.00 1.04 H new ATOM 0 HG2 LYS A 77 -9.540 -2.884 -19.019 1.00 1.04 H new ATOM 0 HG3 LYS A 77 -8.761 -2.803 -17.452 1.00 1.04 H new ATOM 0 HD2 LYS A 77 -10.458 -0.686 -17.175 1.00 0.99 H new ATOM 0 HD3 LYS A 77 -11.387 -1.619 -18.332 1.00 0.99 H new ATOM 0 HE2 LYS A 77 -12.063 -2.370 -16.095 1.00 0.90 H new ATOM 0 HE3 LYS A 77 -11.110 -3.663 -16.794 1.00 0.90 H new ATOM 0 HZ1 LYS A 77 -10.539 -2.403 -14.443 1.00 0.80 H new ATOM 0 HZ2 LYS A 77 -9.419 -3.296 -15.354 1.00 0.80 H new ATOM 0 HZ3 LYS A 77 -9.499 -1.609 -15.525 1.00 0.80 H new ATOM 1178 N ALA A 78 -6.073 0.468 -19.879 1.00 1.16 N ATOM 1179 CA ALA A 78 -5.406 1.289 -20.936 1.00 1.24 C ATOM 1180 C ALA A 78 -4.133 0.586 -21.396 1.00 1.32 C ATOM 1181 O ALA A 78 -3.933 0.348 -22.576 1.00 1.41 O ATOM 1182 CB ALA A 78 -5.075 2.627 -20.259 1.00 1.23 C ATOM 0 H ALA A 78 -6.246 0.960 -19.002 1.00 1.16 H new ATOM 0 HA ALA A 78 -6.034 1.433 -21.815 1.00 1.24 H new ATOM 0 HB1 ALA A 78 -4.582 3.285 -20.975 1.00 1.23 H new ATOM 0 HB2 ALA A 78 -5.995 3.095 -19.910 1.00 1.23 H new ATOM 0 HB3 ALA A 78 -4.413 2.452 -19.411 1.00 1.23 H new ATOM 1188 N LYS A 79 -3.293 0.230 -20.459 1.00 1.31 N ATOM 1189 CA LYS A 79 -2.026 -0.488 -20.798 1.00 1.41 C ATOM 1190 C LYS A 79 -2.350 -1.801 -21.529 1.00 1.45 C ATOM 1191 O LYS A 79 -1.725 -2.141 -22.514 1.00 1.56 O ATOM 1192 CB LYS A 79 -1.361 -0.788 -19.447 1.00 1.39 C ATOM 1193 CG LYS A 79 -0.577 0.438 -18.964 1.00 1.40 C ATOM 1194 CD LYS A 79 -0.589 0.483 -17.431 1.00 1.33 C ATOM 1195 CE LYS A 79 0.191 -0.709 -16.869 1.00 1.38 C ATOM 1196 NZ LYS A 79 0.020 -0.634 -15.385 1.00 1.31 N ATOM 0 H LYS A 79 -3.431 0.407 -19.464 1.00 1.31 H new ATOM 0 HA LYS A 79 -1.380 0.100 -21.450 1.00 1.41 H new ATOM 0 HB2 LYS A 79 -2.119 -1.058 -18.712 1.00 1.39 H new ATOM 0 HB3 LYS A 79 -0.692 -1.643 -19.544 1.00 1.39 H new ATOM 0 HG2 LYS A 79 0.449 0.393 -19.329 1.00 1.40 H new ATOM 0 HG3 LYS A 79 -1.020 1.348 -19.368 1.00 1.40 H new ATOM 0 HD2 LYS A 79 -0.146 1.416 -17.082 1.00 1.33 H new ATOM 0 HD3 LYS A 79 -1.616 0.462 -17.066 1.00 1.33 H new ATOM 0 HE2 LYS A 79 -0.194 -1.650 -17.261 1.00 1.38 H new ATOM 0 HE3 LYS A 79 1.244 -0.655 -17.146 1.00 1.38 H new ATOM 0 HZ1 LYS A 79 0.953 -0.571 -14.931 1.00 1.31 H new ATOM 0 HZ2 LYS A 79 -0.541 0.208 -15.142 1.00 1.31 H new ATOM 0 HZ3 LYS A 79 -0.472 -1.486 -15.049 1.00 1.31 H new ATOM 1210 N LEU A 80 -3.323 -2.536 -21.041 1.00 1.40 N ATOM 1211 CA LEU A 80 -3.701 -3.833 -21.687 1.00 1.45 C ATOM 1212 C LEU A 80 -4.255 -3.595 -23.096 1.00 1.50 C ATOM 1213 O LEU A 80 -3.698 -4.037 -24.082 1.00 1.59 O ATOM 1214 CB LEU A 80 -4.781 -4.430 -20.774 1.00 1.38 C ATOM 1215 CG LEU A 80 -4.507 -5.920 -20.552 1.00 1.97 C ATOM 1216 CD1 LEU A 80 -4.053 -6.153 -19.106 1.00 1.96 C ATOM 1217 CD2 LEU A 80 -5.786 -6.715 -20.815 1.00 2.58 C ATOM 0 H LEU A 80 -3.874 -2.291 -20.218 1.00 1.40 H new ATOM 0 HA LEU A 80 -2.845 -4.499 -21.799 1.00 1.45 H new ATOM 0 HB2 LEU A 80 -4.792 -3.907 -19.818 1.00 1.38 H new ATOM 0 HB3 LEU A 80 -5.765 -4.295 -21.223 1.00 1.38 H new ATOM 0 HG LEU A 80 -3.723 -6.248 -21.234 1.00 1.97 H new ATOM 0 HD11 LEU A 80 -3.859 -7.215 -18.952 1.00 1.96 H new ATOM 0 HD12 LEU A 80 -3.142 -5.586 -18.915 1.00 1.96 H new ATOM 0 HD13 LEU A 80 -4.835 -5.824 -18.422 1.00 1.96 H new ATOM 0 HD21 LEU A 80 -5.594 -7.776 -20.658 1.00 2.58 H new ATOM 0 HD22 LEU A 80 -6.568 -6.383 -20.132 1.00 2.58 H new ATOM 0 HD23 LEU A 80 -6.110 -6.554 -21.843 1.00 2.58 H new ATOM 1229 N MET A 81 -5.350 -2.899 -23.188 1.00 1.45 N ATOM 1230 CA MET A 81 -5.969 -2.610 -24.519 1.00 1.51 C ATOM 1231 C MET A 81 -6.889 -1.382 -24.411 1.00 1.45 C ATOM 1232 O MET A 81 -8.078 -1.468 -24.650 1.00 1.46 O ATOM 1233 CB MET A 81 -6.771 -3.871 -24.854 1.00 1.56 C ATOM 1234 CG MET A 81 -6.758 -4.114 -26.368 1.00 1.79 C ATOM 1235 SD MET A 81 -8.033 -5.327 -26.796 1.00 2.23 S ATOM 1236 CE MET A 81 -7.141 -6.135 -28.150 1.00 3.01 C ATOM 0 H MET A 81 -5.853 -2.511 -22.390 1.00 1.45 H new ATOM 0 HA MET A 81 -5.233 -2.383 -25.290 1.00 1.51 H new ATOM 0 HB2 MET A 81 -6.346 -4.731 -24.336 1.00 1.56 H new ATOM 0 HB3 MET A 81 -7.797 -3.763 -24.503 1.00 1.56 H new ATOM 0 HG2 MET A 81 -6.938 -3.179 -26.899 1.00 1.79 H new ATOM 0 HG3 MET A 81 -5.778 -4.475 -26.681 1.00 1.79 H new ATOM 0 HE1 MET A 81 -7.757 -6.932 -28.567 1.00 3.01 H new ATOM 0 HE2 MET A 81 -6.919 -5.404 -28.927 1.00 3.01 H new ATOM 0 HE3 MET A 81 -6.210 -6.557 -27.772 1.00 3.01 H new ATOM 1246 N THR A 82 -6.333 -0.246 -24.039 1.00 1.42 N ATOM 1247 CA THR A 82 -7.136 1.031 -23.877 1.00 1.38 C ATOM 1248 C THR A 82 -8.104 0.919 -22.688 1.00 1.30 C ATOM 1249 O THR A 82 -8.606 -0.147 -22.387 1.00 1.28 O ATOM 1250 CB THR A 82 -7.923 1.292 -25.182 1.00 1.46 C ATOM 1251 OG1 THR A 82 -9.125 0.528 -25.204 1.00 1.46 O ATOM 1252 CG2 THR A 82 -7.072 0.947 -26.405 1.00 1.58 C ATOM 0 H THR A 82 -5.339 -0.143 -23.836 1.00 1.42 H new ATOM 0 HA THR A 82 -6.458 1.861 -23.680 1.00 1.38 H new ATOM 0 HB THR A 82 -8.175 2.352 -25.215 1.00 1.46 H new ATOM 0 HG1 THR A 82 -8.909 -0.418 -25.340 1.00 1.46 H new ATOM 0 HG21 THR A 82 -7.645 1.138 -27.312 1.00 1.58 H new ATOM 0 HG22 THR A 82 -6.172 1.562 -26.408 1.00 1.58 H new ATOM 0 HG23 THR A 82 -6.791 -0.106 -26.368 1.00 1.58 H new ATOM 1260 N PRO A 83 -8.329 2.039 -22.042 1.00 1.32 N ATOM 1261 CA PRO A 83 -9.237 2.069 -20.868 1.00 1.29 C ATOM 1262 C PRO A 83 -10.707 2.013 -21.303 1.00 1.20 C ATOM 1263 O PRO A 83 -11.569 1.637 -20.532 1.00 1.27 O ATOM 1264 CB PRO A 83 -8.907 3.400 -20.197 1.00 1.43 C ATOM 1265 CG PRO A 83 -8.359 4.270 -21.285 1.00 1.52 C ATOM 1266 CD PRO A 83 -7.772 3.368 -22.342 1.00 1.42 C ATOM 0 HA PRO A 83 -9.100 1.216 -20.203 1.00 1.29 H new ATOM 0 HB2 PRO A 83 -9.795 3.845 -19.749 1.00 1.43 H new ATOM 0 HB3 PRO A 83 -8.179 3.267 -19.397 1.00 1.43 H new ATOM 0 HG2 PRO A 83 -9.146 4.894 -21.709 1.00 1.52 H new ATOM 0 HG3 PRO A 83 -7.597 4.942 -20.890 1.00 1.52 H new ATOM 0 HD2 PRO A 83 -8.049 3.698 -23.343 1.00 1.42 H new ATOM 0 HD3 PRO A 83 -6.683 3.361 -22.298 1.00 1.42 H new ATOM 1274 N ASN A 84 -10.995 2.393 -22.530 1.00 1.17 N ATOM 1275 CA ASN A 84 -12.407 2.380 -23.035 1.00 1.19 C ATOM 1276 C ASN A 84 -13.322 3.179 -22.089 1.00 1.22 C ATOM 1277 O ASN A 84 -14.504 2.908 -21.969 1.00 1.29 O ATOM 1278 CB ASN A 84 -12.802 0.897 -23.077 1.00 1.27 C ATOM 1279 CG ASN A 84 -12.996 0.455 -24.527 1.00 1.51 C ATOM 1280 OD1 ASN A 84 -14.108 0.281 -24.974 1.00 1.69 O ATOM 1281 ND2 ASN A 84 -11.957 0.265 -25.291 1.00 1.86 N ATOM 0 H ASN A 84 -10.304 2.714 -23.208 1.00 1.17 H new ATOM 0 HA ASN A 84 -12.503 2.845 -24.016 1.00 1.19 H new ATOM 0 HB2 ASN A 84 -12.030 0.292 -22.603 1.00 1.27 H new ATOM 0 HB3 ASN A 84 -13.721 0.740 -22.513 1.00 1.27 H new ATOM 0 HD21 ASN A 84 -12.083 -0.029 -26.260 1.00 1.86 H new ATOM 0 HD22 ASN A 84 -11.018 0.410 -24.920 1.00 1.86 H new ATOM 1288 N GLY A 85 -12.775 4.163 -21.413 1.00 1.26 N ATOM 1289 CA GLY A 85 -13.592 4.986 -20.470 1.00 1.35 C ATOM 1290 C GLY A 85 -13.217 6.469 -20.605 1.00 1.30 C ATOM 1291 O GLY A 85 -12.238 6.911 -20.026 1.00 1.32 O ATOM 0 H GLY A 85 -11.793 4.431 -21.476 1.00 1.26 H new ATOM 0 HA2 GLY A 85 -14.653 4.850 -20.681 1.00 1.35 H new ATOM 0 HA3 GLY A 85 -13.426 4.652 -19.446 1.00 1.35 H new ATOM 1295 N PRO A 86 -14.018 7.200 -21.348 1.00 1.35 N ATOM 1296 CA PRO A 86 -13.765 8.657 -21.540 1.00 1.36 C ATOM 1297 C PRO A 86 -13.932 9.429 -20.222 1.00 1.22 C ATOM 1298 O PRO A 86 -13.444 10.533 -20.082 1.00 1.33 O ATOM 1299 CB PRO A 86 -14.817 9.072 -22.569 1.00 1.54 C ATOM 1300 CG PRO A 86 -15.902 8.055 -22.429 1.00 1.59 C ATOM 1301 CD PRO A 86 -15.221 6.759 -22.073 1.00 1.50 C ATOM 0 HA PRO A 86 -12.748 8.871 -21.870 1.00 1.36 H new ATOM 0 HB2 PRO A 86 -15.189 10.078 -22.373 1.00 1.54 H new ATOM 0 HB3 PRO A 86 -14.405 9.076 -23.578 1.00 1.54 H new ATOM 0 HG2 PRO A 86 -16.612 8.347 -21.655 1.00 1.59 H new ATOM 0 HG3 PRO A 86 -16.465 7.957 -23.357 1.00 1.59 H new ATOM 0 HD2 PRO A 86 -15.856 6.127 -21.452 1.00 1.50 H new ATOM 0 HD3 PRO A 86 -14.967 6.180 -22.961 1.00 1.50 H new ATOM 1309 N GLU A 87 -14.595 8.850 -19.249 1.00 1.09 N ATOM 1310 CA GLU A 87 -14.769 9.545 -17.931 1.00 1.11 C ATOM 1311 C GLU A 87 -13.400 9.972 -17.377 1.00 1.27 C ATOM 1312 O GLU A 87 -13.262 11.009 -16.756 1.00 1.41 O ATOM 1313 CB GLU A 87 -15.424 8.510 -17.012 1.00 1.14 C ATOM 1314 CG GLU A 87 -15.900 9.196 -15.725 1.00 1.17 C ATOM 1315 CD GLU A 87 -15.386 8.436 -14.502 1.00 1.16 C ATOM 1316 OE1 GLU A 87 -15.410 7.210 -14.522 1.00 1.24 O ATOM 1317 OE2 GLU A 87 -14.981 9.091 -13.553 1.00 1.55 O ATOM 0 H GLU A 87 -15.024 7.926 -19.309 1.00 1.09 H new ATOM 0 HA GLU A 87 -15.375 10.447 -18.017 1.00 1.11 H new ATOM 0 HB2 GLU A 87 -16.267 8.040 -17.519 1.00 1.14 H new ATOM 0 HB3 GLU A 87 -14.713 7.719 -16.773 1.00 1.14 H new ATOM 0 HG2 GLU A 87 -15.543 10.226 -15.699 1.00 1.17 H new ATOM 0 HG3 GLU A 87 -16.989 9.236 -15.707 1.00 1.17 H new ATOM 1324 N VAL A 88 -12.393 9.174 -17.621 1.00 1.36 N ATOM 1325 CA VAL A 88 -11.014 9.503 -17.144 1.00 1.64 C ATOM 1326 C VAL A 88 -10.070 9.759 -18.341 1.00 1.81 C ATOM 1327 O VAL A 88 -9.086 10.471 -18.220 1.00 2.08 O ATOM 1328 CB VAL A 88 -10.573 8.277 -16.328 1.00 1.85 C ATOM 1329 CG1 VAL A 88 -10.347 7.074 -17.252 1.00 1.88 C ATOM 1330 CG2 VAL A 88 -9.274 8.593 -15.584 1.00 2.20 C ATOM 0 H VAL A 88 -12.467 8.297 -18.137 1.00 1.36 H new ATOM 0 HA VAL A 88 -10.988 10.412 -16.544 1.00 1.64 H new ATOM 0 HB VAL A 88 -11.358 8.034 -15.612 1.00 1.85 H new ATOM 0 HG11 VAL A 88 -10.035 6.214 -16.660 1.00 1.88 H new ATOM 0 HG12 VAL A 88 -11.274 6.838 -17.775 1.00 1.88 H new ATOM 0 HG13 VAL A 88 -9.571 7.314 -17.979 1.00 1.88 H new ATOM 0 HG21 VAL A 88 -8.964 7.722 -15.007 1.00 2.20 H new ATOM 0 HG22 VAL A 88 -8.495 8.847 -16.303 1.00 2.20 H new ATOM 0 HG23 VAL A 88 -9.436 9.435 -14.911 1.00 2.20 H new ATOM 1340 N HIS A 89 -10.362 9.194 -19.499 1.00 1.73 N ATOM 1341 CA HIS A 89 -9.487 9.418 -20.698 1.00 2.05 C ATOM 1342 C HIS A 89 -10.228 9.032 -21.988 1.00 1.89 C ATOM 1343 O HIS A 89 -10.613 9.884 -22.765 1.00 2.08 O ATOM 1344 CB HIS A 89 -8.257 8.523 -20.487 1.00 2.32 C ATOM 1345 CG HIS A 89 -7.022 9.380 -20.460 1.00 2.77 C ATOM 1346 ND1 HIS A 89 -6.867 10.407 -19.549 1.00 2.97 N ATOM 1347 CD2 HIS A 89 -5.882 9.378 -21.224 1.00 3.21 C ATOM 1348 CE1 HIS A 89 -5.671 10.979 -19.780 1.00 3.48 C ATOM 1349 NE2 HIS A 89 -5.028 10.388 -20.791 1.00 3.65 N ATOM 0 H HIS A 89 -11.168 8.590 -19.661 1.00 1.73 H new ATOM 0 HA HIS A 89 -9.205 10.466 -20.801 1.00 2.05 H new ATOM 0 HB2 HIS A 89 -8.351 7.970 -19.553 1.00 2.32 H new ATOM 0 HB3 HIS A 89 -8.186 7.787 -21.288 1.00 2.32 H new ATOM 0 HD1 HIS A 89 -7.538 10.682 -18.831 1.00 2.97 H new ATOM 0 HD2 HIS A 89 -5.679 8.697 -22.037 1.00 3.21 H new ATOM 0 HE1 HIS A 89 -5.279 11.813 -19.217 1.00 3.48 H new ATOM 1357 N GLY A 90 -10.425 7.756 -22.221 1.00 1.66 N ATOM 1358 CA GLY A 90 -11.135 7.311 -23.461 1.00 1.61 C ATOM 1359 C GLY A 90 -10.735 5.873 -23.804 1.00 1.54 C ATOM 1360 O GLY A 90 -11.622 5.087 -24.085 1.00 1.94 O ATOM 1361 OXT GLY A 90 -9.550 5.582 -23.785 1.00 1.74 O ATOM 0 H GLY A 90 -10.124 7.002 -21.604 1.00 1.66 H new ATOM 0 HA2 GLY A 90 -12.213 7.373 -23.315 1.00 1.61 H new ATOM 0 HA3 GLY A 90 -10.887 7.974 -24.290 1.00 1.61 H new TER 1365 GLY A 90