USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 805 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 Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 13:sc= 0.108 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= 2.42 (180deg=1.48) USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0324) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -0.112 K(o=-0.11,f=-3.2!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -2.19! K(o=-2.2!,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0241) USER MOD Single : A 59 GLN : amide:sc= -5.35! C(o=-5.3!,f=-8.5!) USER MOD Single : A 62 SER OG : rot -156:sc= 0.812 USER MOD Single : A 72 ASN : amide:sc= -0.375 X(o=-0.38,f=-0.82) USER MOD Single : A 84 TYR OH : rot 77:sc= -1.75! USER MOD Single : A 85 GLN : amide:sc= -5.04! C(o=-5!,f=-2.3!) USER MOD Single : A 87 GLN : amide:sc= -3.98 K(o=-4,f=-1.5) USER MOD Single : A 89 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.18) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -36:sc= 0.588 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 15.394 -9.045 8.219 1.00 5.35 N ATOM 2 CA SER A 1 15.096 -9.527 6.856 1.00 4.89 C ATOM 3 C SER A 1 15.632 -8.538 5.822 1.00 4.07 C ATOM 4 O SER A 1 16.340 -8.923 4.892 1.00 4.19 O ATOM 5 CB SER A 1 13.587 -9.711 6.687 1.00 5.38 C ATOM 6 OG SER A 1 13.281 -10.453 5.519 1.00 5.96 O ATOM 0 H1 SER A 1 15.026 -9.724 8.916 1.00 5.35 H new ATOM 0 H2 SER A 1 16.423 -8.952 8.337 1.00 5.35 H new ATOM 0 H3 SER A 1 14.943 -8.119 8.366 1.00 5.35 H new ATOM 0 HA SER A 1 15.585 -10.489 6.703 1.00 4.89 H new ATOM 0 HB2 SER A 1 13.182 -10.222 7.560 1.00 5.38 H new ATOM 0 HB3 SER A 1 13.104 -8.735 6.636 1.00 5.38 H new ATOM 0 HG SER A 1 12.309 -10.554 5.441 1.00 5.96 H new ATOM 14 N ALA A 2 15.301 -7.261 5.992 1.00 3.54 N ATOM 15 CA ALA A 2 15.803 -6.223 5.106 1.00 2.75 C ATOM 16 C ALA A 2 16.858 -5.392 5.807 1.00 2.55 C ATOM 17 O ALA A 2 16.541 -4.563 6.662 1.00 2.81 O ATOM 18 CB ALA A 2 14.678 -5.323 4.621 1.00 2.31 C ATOM 0 H ALA A 2 14.688 -6.924 6.735 1.00 3.54 H new ATOM 0 HA ALA A 2 16.250 -6.713 4.241 1.00 2.75 H new ATOM 0 HB1 ALA A 2 15.084 -4.557 3.961 1.00 2.31 H new ATOM 0 HB2 ALA A 2 13.944 -5.918 4.078 1.00 2.31 H new ATOM 0 HB3 ALA A 2 14.198 -4.848 5.476 1.00 2.31 H new ATOM 24 N ALA A 3 18.113 -5.634 5.469 1.00 2.36 N ATOM 25 CA ALA A 3 19.193 -4.817 5.984 1.00 2.24 C ATOM 26 C ALA A 3 19.165 -3.423 5.343 1.00 1.58 C ATOM 27 O ALA A 3 19.294 -2.429 6.058 1.00 2.00 O ATOM 28 CB ALA A 3 20.542 -5.502 5.799 1.00 2.41 C ATOM 0 H ALA A 3 18.406 -6.385 4.844 1.00 2.36 H new ATOM 0 HA ALA A 3 19.047 -4.691 7.057 1.00 2.24 H new ATOM 0 HB1 ALA A 3 21.332 -4.864 6.195 1.00 2.41 H new ATOM 0 HB2 ALA A 3 20.543 -6.453 6.331 1.00 2.41 H new ATOM 0 HB3 ALA A 3 20.717 -5.680 4.738 1.00 2.41 H new ATOM 34 N PRO A 4 19.010 -3.318 3.991 1.00 0.85 N ATOM 35 CA PRO A 4 18.769 -2.032 3.322 1.00 0.76 C ATOM 36 C PRO A 4 17.683 -1.191 4.004 1.00 0.79 C ATOM 37 O PRO A 4 17.991 -0.242 4.725 1.00 1.23 O ATOM 38 CB PRO A 4 18.364 -2.455 1.910 1.00 1.00 C ATOM 39 CG PRO A 4 19.174 -3.669 1.684 1.00 1.18 C ATOM 40 CD PRO A 4 19.138 -4.407 2.993 1.00 1.10 C ATOM 0 HA PRO A 4 19.643 -1.381 3.348 1.00 0.76 H new ATOM 0 HB2 PRO A 4 17.296 -2.663 1.841 1.00 1.00 H new ATOM 0 HB3 PRO A 4 18.585 -1.679 1.177 1.00 1.00 H new ATOM 0 HG2 PRO A 4 18.761 -4.275 0.877 1.00 1.18 H new ATOM 0 HG3 PRO A 4 20.196 -3.415 1.401 1.00 1.18 H new ATOM 0 HD2 PRO A 4 18.298 -5.099 3.042 1.00 1.10 H new ATOM 0 HD3 PRO A 4 20.043 -4.993 3.150 1.00 1.10 H new ATOM 48 N LEU A 5 16.416 -1.528 3.782 1.00 0.43 N ATOM 49 CA LEU A 5 15.327 -0.855 4.465 1.00 0.45 C ATOM 50 C LEU A 5 14.112 -1.770 4.539 1.00 0.37 C ATOM 51 O LEU A 5 13.842 -2.535 3.612 1.00 0.42 O ATOM 52 CB LEU A 5 14.980 0.471 3.760 1.00 0.52 C ATOM 53 CG LEU A 5 14.297 0.356 2.395 1.00 0.60 C ATOM 54 CD1 LEU A 5 12.788 0.269 2.544 1.00 1.28 C ATOM 55 CD2 LEU A 5 14.661 1.530 1.506 1.00 1.27 C ATOM 0 H LEU A 5 16.123 -2.261 3.136 1.00 0.43 H new ATOM 0 HA LEU A 5 15.642 -0.619 5.481 1.00 0.45 H new ATOM 0 HB2 LEU A 5 14.332 1.049 4.419 1.00 0.52 H new ATOM 0 HB3 LEU A 5 15.900 1.043 3.635 1.00 0.52 H new ATOM 0 HG LEU A 5 14.653 -0.562 1.927 1.00 0.60 H new ATOM 0 HD11 LEU A 5 12.329 0.188 1.559 1.00 1.28 H new ATOM 0 HD12 LEU A 5 12.531 -0.609 3.137 1.00 1.28 H new ATOM 0 HD13 LEU A 5 12.419 1.165 3.043 1.00 1.28 H new ATOM 0 HD21 LEU A 5 14.163 1.425 0.542 1.00 1.27 H new ATOM 0 HD22 LEU A 5 14.341 2.458 1.980 1.00 1.27 H new ATOM 0 HD23 LEU A 5 15.740 1.552 1.356 1.00 1.27 H new ATOM 67 N CYS A 6 13.393 -1.707 5.646 1.00 0.34 N ATOM 68 CA CYS A 6 12.158 -2.456 5.788 1.00 0.31 C ATOM 69 C CYS A 6 10.986 -1.485 5.818 1.00 0.24 C ATOM 70 O CYS A 6 11.077 -0.413 6.425 1.00 0.27 O ATOM 71 CB CYS A 6 12.190 -3.306 7.061 1.00 0.40 C ATOM 72 SG CYS A 6 10.808 -4.463 7.218 1.00 1.35 S ATOM 0 H CYS A 6 13.644 -1.145 6.459 1.00 0.34 H new ATOM 0 HA CYS A 6 12.043 -3.130 4.939 1.00 0.31 H new ATOM 0 HB2 CYS A 6 13.124 -3.868 7.085 1.00 0.40 H new ATOM 0 HB3 CYS A 6 12.194 -2.643 7.926 1.00 0.40 H new ATOM 0 HG CYS A 6 10.179 -4.545 6.083 1.00 1.35 H new ATOM 78 N VAL A 7 9.903 -1.845 5.143 1.00 0.24 N ATOM 79 CA VAL A 7 8.736 -0.979 5.052 1.00 0.25 C ATOM 80 C VAL A 7 7.493 -1.664 5.614 1.00 0.25 C ATOM 81 O VAL A 7 7.408 -2.896 5.658 1.00 0.31 O ATOM 82 CB VAL A 7 8.475 -0.529 3.593 1.00 0.28 C ATOM 83 CG1 VAL A 7 9.498 0.505 3.160 1.00 0.64 C ATOM 84 CG2 VAL A 7 8.490 -1.719 2.646 1.00 0.61 C ATOM 0 H VAL A 7 9.808 -2.733 4.650 1.00 0.24 H new ATOM 0 HA VAL A 7 8.949 -0.095 5.652 1.00 0.25 H new ATOM 0 HB VAL A 7 7.485 -0.074 3.554 1.00 0.28 H new ATOM 0 HG11 VAL A 7 9.297 0.808 2.132 1.00 0.64 H new ATOM 0 HG12 VAL A 7 9.435 1.375 3.814 1.00 0.64 H new ATOM 0 HG13 VAL A 7 10.498 0.076 3.223 1.00 0.64 H new ATOM 0 HG21 VAL A 7 8.304 -1.376 1.628 1.00 0.61 H new ATOM 0 HG22 VAL A 7 9.463 -2.209 2.692 1.00 0.61 H new ATOM 0 HG23 VAL A 7 7.714 -2.426 2.938 1.00 0.61 H new ATOM 94 N LYS A 8 6.543 -0.861 6.065 1.00 0.26 N ATOM 95 CA LYS A 8 5.314 -1.376 6.651 1.00 0.28 C ATOM 96 C LYS A 8 4.121 -1.038 5.769 1.00 0.28 C ATOM 97 O LYS A 8 4.051 0.050 5.210 1.00 0.38 O ATOM 98 CB LYS A 8 5.089 -0.769 8.035 1.00 0.35 C ATOM 99 CG LYS A 8 3.873 -1.330 8.758 1.00 0.61 C ATOM 100 CD LYS A 8 3.342 -0.356 9.802 1.00 0.86 C ATOM 101 CE LYS A 8 4.443 0.187 10.703 1.00 1.08 C ATOM 102 NZ LYS A 8 5.095 -0.875 11.516 1.00 1.61 N ATOM 0 H LYS A 8 6.600 0.157 6.036 1.00 0.26 H new ATOM 0 HA LYS A 8 5.411 -2.458 6.736 1.00 0.28 H new ATOM 0 HB2 LYS A 8 5.975 -0.941 8.646 1.00 0.35 H new ATOM 0 HB3 LYS A 8 4.975 0.310 7.935 1.00 0.35 H new ATOM 0 HG2 LYS A 8 3.089 -1.551 8.034 1.00 0.61 H new ATOM 0 HG3 LYS A 8 4.138 -2.272 9.239 1.00 0.61 H new ATOM 0 HD2 LYS A 8 2.844 0.474 9.301 1.00 0.86 H new ATOM 0 HD3 LYS A 8 2.590 -0.856 10.413 1.00 0.86 H new ATOM 0 HE2 LYS A 8 5.196 0.684 10.091 1.00 1.08 H new ATOM 0 HE3 LYS A 8 4.024 0.942 11.368 1.00 1.08 H new ATOM 0 HZ1 LYS A 8 5.836 -0.451 12.110 1.00 1.61 H new ATOM 0 HZ2 LYS A 8 4.385 -1.334 12.122 1.00 1.61 H new ATOM 0 HZ3 LYS A 8 5.521 -1.583 10.885 1.00 1.61 H new ATOM 116 N VAL A 9 3.200 -1.978 5.640 1.00 0.25 N ATOM 117 CA VAL A 9 1.942 -1.737 4.949 1.00 0.26 C ATOM 118 C VAL A 9 0.786 -2.137 5.858 1.00 0.23 C ATOM 119 O VAL A 9 0.777 -3.236 6.404 1.00 0.27 O ATOM 120 CB VAL A 9 1.854 -2.530 3.624 1.00 0.30 C ATOM 121 CG1 VAL A 9 0.531 -2.260 2.924 1.00 0.89 C ATOM 122 CG2 VAL A 9 3.024 -2.185 2.711 1.00 0.77 C ATOM 0 H VAL A 9 3.301 -2.924 6.008 1.00 0.25 H new ATOM 0 HA VAL A 9 1.887 -0.676 4.707 1.00 0.26 H new ATOM 0 HB VAL A 9 1.906 -3.593 3.859 1.00 0.30 H new ATOM 0 HG11 VAL A 9 0.489 -2.827 1.994 1.00 0.89 H new ATOM 0 HG12 VAL A 9 -0.292 -2.563 3.571 1.00 0.89 H new ATOM 0 HG13 VAL A 9 0.446 -1.196 2.704 1.00 0.89 H new ATOM 0 HG21 VAL A 9 2.943 -2.754 1.785 1.00 0.77 H new ATOM 0 HG22 VAL A 9 3.007 -1.119 2.485 1.00 0.77 H new ATOM 0 HG23 VAL A 9 3.961 -2.435 3.209 1.00 0.77 H new ATOM 132 N GLU A 10 -0.172 -1.247 6.049 1.00 0.21 N ATOM 133 CA GLU A 10 -1.303 -1.545 6.912 1.00 0.23 C ATOM 134 C GLU A 10 -2.576 -0.915 6.360 1.00 0.25 C ATOM 135 O GLU A 10 -2.525 0.018 5.553 1.00 0.26 O ATOM 136 CB GLU A 10 -1.028 -1.053 8.342 1.00 0.28 C ATOM 137 CG GLU A 10 -2.072 -1.485 9.361 1.00 0.37 C ATOM 138 CD GLU A 10 -1.794 -0.944 10.749 1.00 0.48 C ATOM 139 OE1 GLU A 10 -1.013 -1.574 11.495 1.00 0.99 O ATOM 140 OE2 GLU A 10 -2.348 0.117 11.099 1.00 1.08 O ATOM 0 H GLU A 10 -0.191 -0.320 5.623 1.00 0.21 H new ATOM 0 HA GLU A 10 -1.443 -2.626 6.942 1.00 0.23 H new ATOM 0 HB2 GLU A 10 -0.052 -1.421 8.660 1.00 0.28 H new ATOM 0 HB3 GLU A 10 -0.972 0.036 8.335 1.00 0.28 H new ATOM 0 HG2 GLU A 10 -3.055 -1.146 9.034 1.00 0.37 H new ATOM 0 HG3 GLU A 10 -2.107 -2.574 9.400 1.00 0.37 H new ATOM 147 N PHE A 11 -3.709 -1.453 6.777 1.00 0.30 N ATOM 148 CA PHE A 11 -5.008 -0.916 6.408 1.00 0.34 C ATOM 149 C PHE A 11 -5.646 -0.260 7.620 1.00 0.34 C ATOM 150 O PHE A 11 -5.565 -0.796 8.724 1.00 0.74 O ATOM 151 CB PHE A 11 -5.898 -2.034 5.874 1.00 0.74 C ATOM 152 CG PHE A 11 -5.277 -2.754 4.720 1.00 2.12 C ATOM 153 CD1 PHE A 11 -5.173 -2.145 3.483 1.00 2.89 C ATOM 154 CD2 PHE A 11 -4.821 -4.050 4.870 1.00 2.77 C ATOM 155 CE1 PHE A 11 -4.628 -2.819 2.412 1.00 4.21 C ATOM 156 CE2 PHE A 11 -4.271 -4.730 3.803 1.00 4.09 C ATOM 157 CZ PHE A 11 -4.079 -4.065 2.593 1.00 4.80 C ATOM 0 H PHE A 11 -3.755 -2.274 7.381 1.00 0.30 H new ATOM 0 HA PHE A 11 -4.886 -0.168 5.625 1.00 0.34 H new ATOM 0 HB2 PHE A 11 -6.104 -2.745 6.674 1.00 0.74 H new ATOM 0 HB3 PHE A 11 -6.856 -1.616 5.565 1.00 0.74 H new ATOM 0 HD1 PHE A 11 -5.522 -1.131 3.355 1.00 2.89 H new ATOM 0 HD2 PHE A 11 -4.896 -4.535 5.832 1.00 2.77 H new ATOM 0 HE1 PHE A 11 -4.632 -2.368 1.431 1.00 4.21 H new ATOM 0 HE2 PHE A 11 -3.992 -5.768 3.904 1.00 4.09 H new ATOM 0 HZ PHE A 11 -3.503 -4.526 1.804 1.00 4.80 H new ATOM 167 N GLY A 12 -6.265 0.897 7.420 1.00 0.23 N ATOM 168 CA GLY A 12 -6.778 1.652 8.550 1.00 0.39 C ATOM 169 C GLY A 12 -8.184 2.187 8.351 1.00 0.28 C ATOM 170 O GLY A 12 -8.963 2.251 9.298 1.00 0.34 O ATOM 0 H GLY A 12 -6.420 1.323 6.507 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -6.765 1.015 9.435 1.00 0.39 H new ATOM 0 HA3 GLY A 12 -6.108 2.488 8.749 1.00 0.39 H new ATOM 174 N GLY A 13 -8.515 2.576 7.123 1.00 0.24 N ATOM 175 CA GLY A 13 -9.807 3.198 6.862 1.00 0.26 C ATOM 176 C GLY A 13 -10.932 2.193 6.710 1.00 0.29 C ATOM 177 O GLY A 13 -11.856 2.404 5.929 1.00 0.45 O ATOM 0 H GLY A 13 -7.915 2.473 6.304 1.00 0.24 H new ATOM 0 HA2 GLY A 13 -10.046 3.881 7.677 1.00 0.26 H new ATOM 0 HA3 GLY A 13 -9.738 3.797 5.954 1.00 0.26 H new ATOM 181 N GLY A 14 -10.868 1.104 7.462 1.00 0.28 N ATOM 182 CA GLY A 14 -11.831 0.036 7.296 1.00 0.35 C ATOM 183 C GLY A 14 -11.528 -0.774 6.056 1.00 0.36 C ATOM 184 O GLY A 14 -12.329 -1.600 5.620 1.00 0.41 O ATOM 0 H GLY A 14 -10.166 0.941 8.184 1.00 0.28 H new ATOM 0 HA2 GLY A 14 -11.816 -0.613 8.172 1.00 0.35 H new ATOM 0 HA3 GLY A 14 -12.835 0.454 7.226 1.00 0.35 H new ATOM 188 N ALA A 15 -10.347 -0.532 5.504 1.00 0.35 N ATOM 189 CA ALA A 15 -9.905 -1.191 4.289 1.00 0.39 C ATOM 190 C ALA A 15 -9.657 -2.665 4.565 1.00 0.39 C ATOM 191 O ALA A 15 -9.874 -3.514 3.710 1.00 0.42 O ATOM 192 CB ALA A 15 -8.642 -0.519 3.763 1.00 0.44 C ATOM 0 H ALA A 15 -9.670 0.127 5.888 1.00 0.35 H new ATOM 0 HA ALA A 15 -10.681 -1.107 3.528 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -8.317 -1.019 2.851 1.00 0.44 H new ATOM 0 HB2 ALA A 15 -8.850 0.529 3.547 1.00 0.44 H new ATOM 0 HB3 ALA A 15 -7.855 -0.585 4.514 1.00 0.44 H new ATOM 198 N GLU A 16 -9.239 -2.948 5.789 1.00 0.38 N ATOM 199 CA GLU A 16 -8.942 -4.303 6.235 1.00 0.38 C ATOM 200 C GLU A 16 -10.149 -5.215 6.128 1.00 0.36 C ATOM 201 O GLU A 16 -10.005 -6.414 5.914 1.00 0.37 O ATOM 202 CB GLU A 16 -8.484 -4.266 7.679 1.00 0.45 C ATOM 203 CG GLU A 16 -9.458 -3.509 8.564 1.00 0.57 C ATOM 204 CD GLU A 16 -9.012 -2.090 8.873 1.00 1.19 C ATOM 205 OE1 GLU A 16 -8.831 -1.297 7.926 1.00 1.60 O ATOM 206 OE2 GLU A 16 -8.817 -1.773 10.065 1.00 1.54 O ATOM 0 H GLU A 16 -9.095 -2.239 6.508 1.00 0.38 H new ATOM 0 HA GLU A 16 -8.159 -4.699 5.588 1.00 0.38 H new ATOM 0 HB2 GLU A 16 -8.373 -5.285 8.050 1.00 0.45 H new ATOM 0 HB3 GLU A 16 -7.502 -3.797 7.736 1.00 0.45 H new ATOM 0 HG2 GLU A 16 -10.432 -3.478 8.076 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -9.587 -4.054 9.499 1.00 0.57 H new ATOM 213 N LEU A 17 -11.331 -4.646 6.296 1.00 0.35 N ATOM 214 CA LEU A 17 -12.564 -5.412 6.210 1.00 0.37 C ATOM 215 C LEU A 17 -12.725 -6.046 4.825 1.00 0.36 C ATOM 216 O LEU A 17 -13.495 -6.988 4.651 1.00 0.41 O ATOM 217 CB LEU A 17 -13.767 -4.520 6.526 1.00 0.39 C ATOM 218 CG LEU A 17 -13.760 -3.883 7.919 1.00 0.41 C ATOM 219 CD1 LEU A 17 -14.986 -3.002 8.109 1.00 0.88 C ATOM 220 CD2 LEU A 17 -13.703 -4.957 8.997 1.00 0.83 C ATOM 0 H LEU A 17 -11.463 -3.654 6.493 1.00 0.35 H new ATOM 0 HA LEU A 17 -12.514 -6.214 6.946 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -13.815 -3.726 5.781 1.00 0.39 H new ATOM 0 HB3 LEU A 17 -14.676 -5.112 6.420 1.00 0.39 H new ATOM 0 HG LEU A 17 -12.871 -3.259 8.007 1.00 0.41 H new ATOM 0 HD11 LEU A 17 -14.964 -2.558 9.104 1.00 0.88 H new ATOM 0 HD12 LEU A 17 -14.986 -2.211 7.359 1.00 0.88 H new ATOM 0 HD13 LEU A 17 -15.888 -3.605 8.000 1.00 0.88 H new ATOM 0 HD21 LEU A 17 -13.699 -4.486 9.980 1.00 0.83 H new ATOM 0 HD22 LEU A 17 -14.574 -5.607 8.910 1.00 0.83 H new ATOM 0 HD23 LEU A 17 -12.796 -5.548 8.874 1.00 0.83 H new ATOM 232 N LEU A 18 -11.979 -5.531 3.852 1.00 0.35 N ATOM 233 CA LEU A 18 -11.975 -6.079 2.498 1.00 0.39 C ATOM 234 C LEU A 18 -11.102 -7.327 2.454 1.00 0.42 C ATOM 235 O LEU A 18 -11.249 -8.191 1.586 1.00 0.49 O ATOM 236 CB LEU A 18 -11.424 -5.037 1.519 1.00 0.38 C ATOM 237 CG LEU A 18 -12.252 -3.755 1.389 1.00 0.42 C ATOM 238 CD1 LEU A 18 -11.408 -2.631 0.808 1.00 0.47 C ATOM 239 CD2 LEU A 18 -13.466 -3.999 0.511 1.00 0.49 C ATOM 0 H LEU A 18 -11.364 -4.727 3.978 1.00 0.35 H new ATOM 0 HA LEU A 18 -12.995 -6.338 2.214 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -10.415 -4.768 1.831 1.00 0.38 H new ATOM 0 HB3 LEU A 18 -11.341 -5.497 0.534 1.00 0.38 H new ATOM 0 HG LEU A 18 -12.588 -3.461 2.383 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -12.013 -1.728 0.723 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -10.558 -2.438 1.463 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -11.047 -2.920 -0.179 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -14.045 -3.079 0.427 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -13.141 -4.314 -0.480 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -14.085 -4.779 0.955 1.00 0.49 H new ATOM 251 N PHE A 19 -10.192 -7.407 3.412 1.00 0.39 N ATOM 252 CA PHE A 19 -9.233 -8.491 3.486 1.00 0.47 C ATOM 253 C PHE A 19 -9.515 -9.347 4.711 1.00 0.60 C ATOM 254 O PHE A 19 -8.592 -9.839 5.358 1.00 0.97 O ATOM 255 CB PHE A 19 -7.823 -7.913 3.566 1.00 0.45 C ATOM 256 CG PHE A 19 -7.571 -6.818 2.574 1.00 0.43 C ATOM 257 CD1 PHE A 19 -7.113 -7.108 1.305 1.00 0.42 C ATOM 258 CD2 PHE A 19 -7.790 -5.495 2.914 1.00 0.71 C ATOM 259 CE1 PHE A 19 -6.874 -6.102 0.398 1.00 0.52 C ATOM 260 CE2 PHE A 19 -7.557 -4.485 2.009 1.00 0.75 C ATOM 261 CZ PHE A 19 -7.098 -4.788 0.749 1.00 0.59 C ATOM 0 H PHE A 19 -10.100 -6.720 4.160 1.00 0.39 H new ATOM 0 HA PHE A 19 -9.318 -9.114 2.595 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -7.653 -7.528 4.572 1.00 0.45 H new ATOM 0 HB3 PHE A 19 -7.101 -8.713 3.404 1.00 0.45 H new ATOM 0 HD1 PHE A 19 -6.940 -8.136 1.021 1.00 0.42 H new ATOM 0 HD2 PHE A 19 -8.149 -5.252 3.903 1.00 0.71 H new ATOM 0 HE1 PHE A 19 -6.510 -6.342 -0.590 1.00 0.52 H new ATOM 0 HE2 PHE A 19 -7.734 -3.457 2.288 1.00 0.75 H new ATOM 0 HZ PHE A 19 -6.913 -3.998 0.036 1.00 0.59 H new ATOM 271 N ASP A 20 -10.804 -9.493 5.029 1.00 0.55 N ATOM 272 CA ASP A 20 -11.268 -10.307 6.164 1.00 0.69 C ATOM 273 C ASP A 20 -11.036 -9.615 7.515 1.00 0.72 C ATOM 274 O ASP A 20 -11.724 -9.911 8.492 1.00 1.07 O ATOM 275 CB ASP A 20 -10.600 -11.689 6.153 1.00 0.80 C ATOM 276 CG ASP A 20 -11.087 -12.591 7.269 1.00 1.16 C ATOM 277 OD1 ASP A 20 -12.135 -13.246 7.098 1.00 1.55 O ATOM 278 OD2 ASP A 20 -10.416 -12.658 8.319 1.00 1.28 O ATOM 0 H ASP A 20 -11.560 -9.050 4.507 1.00 0.55 H new ATOM 0 HA ASP A 20 -12.344 -10.430 6.043 1.00 0.69 H new ATOM 0 HB2 ASP A 20 -10.791 -12.171 5.194 1.00 0.80 H new ATOM 0 HB3 ASP A 20 -9.520 -11.565 6.238 1.00 0.80 H new ATOM 283 N GLY A 21 -10.096 -8.678 7.567 1.00 0.57 N ATOM 284 CA GLY A 21 -9.792 -8.005 8.817 1.00 0.59 C ATOM 285 C GLY A 21 -8.304 -7.882 9.081 1.00 0.59 C ATOM 286 O GLY A 21 -7.900 -7.316 10.098 1.00 0.79 O ATOM 0 H GLY A 21 -9.540 -8.373 6.768 1.00 0.57 H new ATOM 0 HA2 GLY A 21 -10.236 -7.010 8.804 1.00 0.59 H new ATOM 0 HA3 GLY A 21 -10.257 -8.550 9.638 1.00 0.59 H new ATOM 290 N VAL A 22 -7.483 -8.407 8.179 1.00 0.51 N ATOM 291 CA VAL A 22 -6.038 -8.312 8.337 1.00 0.53 C ATOM 292 C VAL A 22 -5.572 -6.887 8.034 1.00 0.45 C ATOM 293 O VAL A 22 -6.011 -6.274 7.061 1.00 0.47 O ATOM 294 CB VAL A 22 -5.283 -9.336 7.450 1.00 0.68 C ATOM 295 CG1 VAL A 22 -5.574 -9.113 5.973 1.00 1.02 C ATOM 296 CG2 VAL A 22 -3.786 -9.282 7.715 1.00 1.41 C ATOM 0 H VAL A 22 -7.789 -8.898 7.339 1.00 0.51 H new ATOM 0 HA VAL A 22 -5.802 -8.555 9.373 1.00 0.53 H new ATOM 0 HB VAL A 22 -5.644 -10.330 7.715 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -5.029 -9.847 5.380 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -6.643 -9.222 5.792 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -5.258 -8.110 5.687 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -3.278 -10.009 7.081 1.00 1.41 H new ATOM 0 HG22 VAL A 22 -3.413 -8.282 7.492 1.00 1.41 H new ATOM 0 HG23 VAL A 22 -3.593 -9.516 8.762 1.00 1.41 H new ATOM 306 N LYS A 23 -4.711 -6.355 8.888 1.00 0.48 N ATOM 307 CA LYS A 23 -4.295 -4.965 8.783 1.00 0.52 C ATOM 308 C LYS A 23 -2.796 -4.848 8.529 1.00 0.40 C ATOM 309 O LYS A 23 -2.374 -4.417 7.457 1.00 0.37 O ATOM 310 CB LYS A 23 -4.666 -4.220 10.066 1.00 0.75 C ATOM 311 CG LYS A 23 -6.165 -4.151 10.310 1.00 0.85 C ATOM 312 CD LYS A 23 -6.488 -3.702 11.725 1.00 1.06 C ATOM 313 CE LYS A 23 -5.890 -2.339 12.046 1.00 1.11 C ATOM 314 NZ LYS A 23 -6.444 -1.268 11.174 1.00 2.07 N ATOM 0 H LYS A 23 -4.286 -6.865 9.662 1.00 0.48 H new ATOM 0 HA LYS A 23 -4.813 -4.519 7.934 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -4.189 -4.712 10.914 1.00 0.75 H new ATOM 0 HB3 LYS A 23 -4.266 -3.207 10.018 1.00 0.75 H new ATOM 0 HG2 LYS A 23 -6.617 -3.461 9.598 1.00 0.85 H new ATOM 0 HG3 LYS A 23 -6.608 -5.131 10.130 1.00 0.85 H new ATOM 0 HD2 LYS A 23 -7.570 -3.662 11.854 1.00 1.06 H new ATOM 0 HD3 LYS A 23 -6.110 -4.439 12.434 1.00 1.06 H new ATOM 0 HE2 LYS A 23 -6.086 -2.094 13.090 1.00 1.11 H new ATOM 0 HE3 LYS A 23 -4.807 -2.381 11.926 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 -6.244 -0.339 11.596 1.00 2.07 H new ATOM 0 HZ2 LYS A 23 -6.003 -1.323 10.234 1.00 2.07 H new ATOM 0 HZ3 LYS A 23 -7.472 -1.393 11.082 1.00 2.07 H new ATOM 328 N LYS A 24 -2.006 -5.222 9.526 1.00 0.38 N ATOM 329 CA LYS A 24 -0.554 -5.107 9.450 1.00 0.33 C ATOM 330 C LYS A 24 0.050 -6.136 8.507 1.00 0.34 C ATOM 331 O LYS A 24 -0.141 -7.345 8.662 1.00 0.47 O ATOM 332 CB LYS A 24 0.070 -5.249 10.841 1.00 0.43 C ATOM 333 CG LYS A 24 1.591 -5.225 10.829 1.00 0.49 C ATOM 334 CD LYS A 24 2.158 -5.403 12.230 1.00 0.66 C ATOM 335 CE LYS A 24 3.659 -5.653 12.211 1.00 1.04 C ATOM 336 NZ LYS A 24 3.992 -7.025 11.740 1.00 1.59 N ATOM 0 H LYS A 24 -2.349 -5.611 10.404 1.00 0.38 H new ATOM 0 HA LYS A 24 -0.331 -4.117 9.052 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -0.293 -4.442 11.478 1.00 0.43 H new ATOM 0 HB3 LYS A 24 -0.267 -6.184 11.288 1.00 0.43 H new ATOM 0 HG2 LYS A 24 1.964 -6.017 10.180 1.00 0.49 H new ATOM 0 HG3 LYS A 24 1.939 -4.280 10.411 1.00 0.49 H new ATOM 0 HD2 LYS A 24 1.946 -4.513 12.822 1.00 0.66 H new ATOM 0 HD3 LYS A 24 1.658 -6.238 12.720 1.00 0.66 H new ATOM 0 HE2 LYS A 24 4.140 -4.921 11.562 1.00 1.04 H new ATOM 0 HE3 LYS A 24 4.063 -5.506 13.212 1.00 1.04 H new ATOM 0 HZ1 LYS A 24 5.006 -7.206 11.886 1.00 1.59 H new ATOM 0 HZ2 LYS A 24 3.436 -7.721 12.276 1.00 1.59 H new ATOM 0 HZ3 LYS A 24 3.768 -7.109 10.728 1.00 1.59 H new ATOM 350 N HIS A 25 0.776 -5.633 7.530 1.00 0.29 N ATOM 351 CA HIS A 25 1.541 -6.459 6.629 1.00 0.34 C ATOM 352 C HIS A 25 2.914 -5.831 6.435 1.00 0.34 C ATOM 353 O HIS A 25 3.040 -4.767 5.839 1.00 0.43 O ATOM 354 CB HIS A 25 0.812 -6.561 5.292 1.00 0.42 C ATOM 355 CG HIS A 25 1.458 -7.486 4.306 1.00 0.69 C ATOM 356 ND1 HIS A 25 1.380 -8.856 4.403 1.00 1.46 N ATOM 357 CD2 HIS A 25 2.189 -7.230 3.194 1.00 1.39 C ATOM 358 CE1 HIS A 25 2.032 -9.408 3.396 1.00 1.58 C ATOM 359 NE2 HIS A 25 2.533 -8.442 2.645 1.00 1.44 N ATOM 0 H HIS A 25 0.850 -4.633 7.341 1.00 0.29 H new ATOM 0 HA HIS A 25 1.657 -7.461 7.042 1.00 0.34 H new ATOM 0 HB2 HIS A 25 -0.209 -6.897 5.473 1.00 0.42 H new ATOM 0 HB3 HIS A 25 0.746 -5.567 4.850 1.00 0.42 H new ATOM 0 HD2 HIS A 25 2.452 -6.255 2.811 1.00 1.39 H new ATOM 0 HE1 HIS A 25 2.138 -10.468 3.217 1.00 1.58 H new ATOM 0 HE2 HIS A 25 3.084 -8.575 1.797 1.00 1.44 H new ATOM 368 N GLN A 26 3.941 -6.490 6.929 1.00 0.36 N ATOM 369 CA GLN A 26 5.287 -5.960 6.823 1.00 0.38 C ATOM 370 C GLN A 26 6.024 -6.627 5.675 1.00 0.33 C ATOM 371 O GLN A 26 5.901 -7.835 5.463 1.00 0.47 O ATOM 372 CB GLN A 26 6.037 -6.156 8.139 1.00 0.54 C ATOM 373 CG GLN A 26 7.437 -5.570 8.140 1.00 0.67 C ATOM 374 CD GLN A 26 8.169 -5.820 9.441 1.00 1.12 C ATOM 375 OE1 GLN A 26 8.108 -5.014 10.369 1.00 1.84 O ATOM 376 NE2 GLN A 26 8.854 -6.949 9.519 1.00 1.59 N ATOM 0 H GLN A 26 3.872 -7.389 7.406 1.00 0.36 H new ATOM 0 HA GLN A 26 5.232 -4.891 6.618 1.00 0.38 H new ATOM 0 HB2 GLN A 26 5.462 -5.700 8.945 1.00 0.54 H new ATOM 0 HB3 GLN A 26 6.100 -7.222 8.355 1.00 0.54 H new ATOM 0 HG2 GLN A 26 8.008 -6.000 7.317 1.00 0.67 H new ATOM 0 HG3 GLN A 26 7.378 -4.497 7.960 1.00 0.67 H new ATOM 0 HE21 GLN A 26 8.877 -7.588 8.724 1.00 1.59 H new ATOM 0 HE22 GLN A 26 9.360 -7.181 10.374 1.00 1.59 H new ATOM 385 N VAL A 27 6.769 -5.836 4.925 1.00 0.29 N ATOM 386 CA VAL A 27 7.521 -6.350 3.802 1.00 0.29 C ATOM 387 C VAL A 27 8.945 -5.804 3.829 1.00 0.28 C ATOM 388 O VAL A 27 9.174 -4.623 4.105 1.00 0.31 O ATOM 389 CB VAL A 27 6.819 -6.027 2.460 1.00 0.35 C ATOM 390 CG1 VAL A 27 6.593 -4.530 2.302 1.00 0.44 C ATOM 391 CG2 VAL A 27 7.606 -6.587 1.284 1.00 0.44 C ATOM 0 H VAL A 27 6.868 -4.832 5.076 1.00 0.29 H new ATOM 0 HA VAL A 27 7.568 -7.436 3.887 1.00 0.29 H new ATOM 0 HB VAL A 27 5.842 -6.511 2.472 1.00 0.35 H new ATOM 0 HG11 VAL A 27 6.099 -4.335 1.350 1.00 0.44 H new ATOM 0 HG12 VAL A 27 5.966 -4.169 3.117 1.00 0.44 H new ATOM 0 HG13 VAL A 27 7.552 -4.013 2.325 1.00 0.44 H new ATOM 0 HG21 VAL A 27 7.091 -6.346 0.354 1.00 0.44 H new ATOM 0 HG22 VAL A 27 8.603 -6.147 1.271 1.00 0.44 H new ATOM 0 HG23 VAL A 27 7.688 -7.669 1.383 1.00 0.44 H new ATOM 401 N ALA A 28 9.898 -6.679 3.581 1.00 0.31 N ATOM 402 CA ALA A 28 11.300 -6.322 3.662 1.00 0.33 C ATOM 403 C ALA A 28 11.937 -6.306 2.280 1.00 0.28 C ATOM 404 O ALA A 28 11.685 -7.198 1.468 1.00 0.29 O ATOM 405 CB ALA A 28 12.018 -7.303 4.572 1.00 0.41 C ATOM 0 H ALA A 28 9.725 -7.650 3.320 1.00 0.31 H new ATOM 0 HA ALA A 28 11.387 -5.318 4.077 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.073 -7.036 4.634 1.00 0.41 H new ATOM 0 HB2 ALA A 28 11.575 -7.267 5.567 1.00 0.41 H new ATOM 0 HB3 ALA A 28 11.922 -8.311 4.168 1.00 0.41 H new ATOM 411 N LEU A 29 12.762 -5.295 2.014 1.00 0.28 N ATOM 412 CA LEU A 29 13.410 -5.164 0.716 1.00 0.28 C ATOM 413 C LEU A 29 14.418 -6.278 0.476 1.00 0.32 C ATOM 414 O LEU A 29 15.194 -6.634 1.361 1.00 0.36 O ATOM 415 CB LEU A 29 14.103 -3.804 0.573 1.00 0.35 C ATOM 416 CG LEU A 29 13.221 -2.656 0.072 1.00 0.38 C ATOM 417 CD1 LEU A 29 14.082 -1.464 -0.289 1.00 1.13 C ATOM 418 CD2 LEU A 29 12.407 -3.089 -1.135 1.00 1.04 C ATOM 0 H LEU A 29 12.995 -4.558 2.680 1.00 0.28 H new ATOM 0 HA LEU A 29 12.624 -5.240 -0.035 1.00 0.28 H new ATOM 0 HB2 LEU A 29 14.516 -3.524 1.542 1.00 0.35 H new ATOM 0 HB3 LEU A 29 14.944 -3.916 -0.111 1.00 0.35 H new ATOM 0 HG LEU A 29 12.533 -2.377 0.870 1.00 0.38 H new ATOM 0 HD11 LEU A 29 13.448 -0.652 -0.644 1.00 1.13 H new ATOM 0 HD12 LEU A 29 14.635 -1.135 0.591 1.00 1.13 H new ATOM 0 HD13 LEU A 29 14.784 -1.746 -1.074 1.00 1.13 H new ATOM 0 HD21 LEU A 29 11.788 -2.258 -1.474 1.00 1.04 H new ATOM 0 HD22 LEU A 29 13.079 -3.391 -1.938 1.00 1.04 H new ATOM 0 HD23 LEU A 29 11.768 -3.929 -0.861 1.00 1.04 H new ATOM 430 N PRO A 30 14.395 -6.838 -0.747 1.00 0.38 N ATOM 431 CA PRO A 30 15.338 -7.873 -1.202 1.00 0.53 C ATOM 432 C PRO A 30 16.810 -7.472 -1.062 1.00 0.76 C ATOM 433 O PRO A 30 17.702 -8.319 -1.166 1.00 1.64 O ATOM 434 CB PRO A 30 14.970 -8.033 -2.680 1.00 0.52 C ATOM 435 CG PRO A 30 13.531 -7.696 -2.723 1.00 0.51 C ATOM 436 CD PRO A 30 13.393 -6.538 -1.785 1.00 0.41 C ATOM 0 HA PRO A 30 15.254 -8.782 -0.606 1.00 0.53 H new ATOM 0 HB2 PRO A 30 15.556 -7.366 -3.313 1.00 0.52 H new ATOM 0 HB3 PRO A 30 15.154 -9.049 -3.030 1.00 0.52 H new ATOM 0 HG2 PRO A 30 13.215 -7.430 -3.732 1.00 0.51 H new ATOM 0 HG3 PRO A 30 12.916 -8.539 -2.408 1.00 0.51 H new ATOM 0 HD2 PRO A 30 13.596 -5.589 -2.281 1.00 0.41 H new ATOM 0 HD3 PRO A 30 12.387 -6.472 -1.369 1.00 0.41 H new ATOM 444 N GLY A 31 17.065 -6.186 -0.846 1.00 0.79 N ATOM 445 CA GLY A 31 18.418 -5.728 -0.636 1.00 0.88 C ATOM 446 C GLY A 31 19.090 -5.280 -1.913 1.00 1.01 C ATOM 447 O GLY A 31 19.393 -4.099 -2.077 1.00 1.64 O ATOM 0 H GLY A 31 16.355 -5.455 -0.813 1.00 0.79 H new ATOM 0 HA2 GLY A 31 18.411 -4.901 0.074 1.00 0.88 H new ATOM 0 HA3 GLY A 31 19.002 -6.530 -0.186 1.00 0.88 H new ATOM 451 N GLN A 32 19.318 -6.221 -2.814 1.00 1.08 N ATOM 452 CA GLN A 32 19.985 -5.929 -4.077 1.00 1.37 C ATOM 453 C GLN A 32 19.134 -5.014 -4.956 1.00 1.07 C ATOM 454 O GLN A 32 19.635 -4.054 -5.543 1.00 1.59 O ATOM 455 CB GLN A 32 20.306 -7.227 -4.815 1.00 2.00 C ATOM 456 CG GLN A 32 19.120 -8.167 -4.962 1.00 2.66 C ATOM 457 CD GLN A 32 19.469 -9.425 -5.726 1.00 3.34 C ATOM 458 OE1 GLN A 32 19.852 -10.437 -5.138 1.00 3.88 O ATOM 459 NE2 GLN A 32 19.369 -9.363 -7.044 1.00 3.82 N ATOM 0 H GLN A 32 19.051 -7.198 -2.696 1.00 1.08 H new ATOM 0 HA GLN A 32 20.916 -5.407 -3.855 1.00 1.37 H new ATOM 0 HB2 GLN A 32 20.688 -6.984 -5.806 1.00 2.00 H new ATOM 0 HB3 GLN A 32 21.104 -7.746 -4.284 1.00 2.00 H new ATOM 0 HG2 GLN A 32 18.750 -8.437 -3.973 1.00 2.66 H new ATOM 0 HG3 GLN A 32 18.310 -7.648 -5.474 1.00 2.66 H new ATOM 0 HE21 GLN A 32 19.047 -8.505 -7.491 1.00 3.82 H new ATOM 0 HE22 GLN A 32 19.614 -10.174 -7.613 1.00 3.82 H new ATOM 468 N GLU A 33 17.849 -5.308 -5.020 1.00 0.97 N ATOM 469 CA GLU A 33 16.919 -4.551 -5.817 1.00 0.88 C ATOM 470 C GLU A 33 15.715 -4.190 -4.961 1.00 0.88 C ATOM 471 O GLU A 33 15.432 -4.844 -3.956 1.00 1.63 O ATOM 472 CB GLU A 33 16.497 -5.369 -7.047 1.00 1.23 C ATOM 473 CG GLU A 33 15.567 -4.635 -8.001 1.00 1.72 C ATOM 474 CD GLU A 33 16.120 -3.295 -8.439 1.00 2.31 C ATOM 475 OE1 GLU A 33 17.027 -3.272 -9.294 1.00 2.65 O ATOM 476 OE2 GLU A 33 15.649 -2.259 -7.918 1.00 3.02 O ATOM 0 H GLU A 33 17.424 -6.085 -4.515 1.00 0.97 H new ATOM 0 HA GLU A 33 17.389 -3.633 -6.170 1.00 0.88 H new ATOM 0 HB2 GLU A 33 17.392 -5.671 -7.592 1.00 1.23 H new ATOM 0 HB3 GLU A 33 16.005 -6.282 -6.710 1.00 1.23 H new ATOM 0 HG2 GLU A 33 15.391 -5.256 -8.880 1.00 1.72 H new ATOM 0 HG3 GLU A 33 14.602 -4.485 -7.518 1.00 1.72 H new ATOM 483 N GLU A 34 15.033 -3.145 -5.363 1.00 0.54 N ATOM 484 CA GLU A 34 13.856 -2.654 -4.657 1.00 0.56 C ATOM 485 C GLU A 34 12.616 -2.776 -5.545 1.00 0.48 C ATOM 486 O GLU A 34 12.201 -1.805 -6.175 1.00 0.58 O ATOM 487 CB GLU A 34 14.073 -1.192 -4.245 1.00 0.72 C ATOM 488 CG GLU A 34 15.431 -0.952 -3.609 1.00 0.96 C ATOM 489 CD GLU A 34 15.828 0.508 -3.592 1.00 1.55 C ATOM 490 OE1 GLU A 34 16.224 1.032 -4.658 1.00 2.31 O ATOM 491 OE2 GLU A 34 15.773 1.133 -2.516 1.00 1.97 O ATOM 0 H GLU A 34 15.274 -2.603 -6.193 1.00 0.54 H new ATOM 0 HA GLU A 34 13.700 -3.257 -3.762 1.00 0.56 H new ATOM 0 HB2 GLU A 34 13.971 -0.554 -5.123 1.00 0.72 H new ATOM 0 HB3 GLU A 34 13.292 -0.898 -3.544 1.00 0.72 H new ATOM 0 HG2 GLU A 34 15.419 -1.331 -2.587 1.00 0.96 H new ATOM 0 HG3 GLU A 34 16.186 -1.521 -4.152 1.00 0.96 H new ATOM 498 N PRO A 35 12.042 -3.987 -5.649 1.00 0.41 N ATOM 499 CA PRO A 35 10.851 -4.241 -6.458 1.00 0.40 C ATOM 500 C PRO A 35 9.562 -4.089 -5.671 1.00 0.35 C ATOM 501 O PRO A 35 8.466 -4.324 -6.178 1.00 0.39 O ATOM 502 CB PRO A 35 11.022 -5.694 -6.878 1.00 0.48 C ATOM 503 CG PRO A 35 12.090 -6.287 -6.003 1.00 0.50 C ATOM 504 CD PRO A 35 12.526 -5.225 -5.032 1.00 0.46 C ATOM 0 HA PRO A 35 10.770 -3.534 -7.284 1.00 0.40 H new ATOM 0 HB2 PRO A 35 10.085 -6.240 -6.765 1.00 0.48 H new ATOM 0 HB3 PRO A 35 11.305 -5.760 -7.929 1.00 0.48 H new ATOM 0 HG2 PRO A 35 11.709 -7.159 -5.471 1.00 0.50 H new ATOM 0 HG3 PRO A 35 12.934 -6.625 -6.605 1.00 0.50 H new ATOM 0 HD2 PRO A 35 12.091 -5.379 -4.045 1.00 0.46 H new ATOM 0 HD3 PRO A 35 13.609 -5.215 -4.905 1.00 0.46 H new ATOM 512 N TRP A 36 9.711 -3.711 -4.428 1.00 0.30 N ATOM 513 CA TRP A 36 8.579 -3.596 -3.515 1.00 0.27 C ATOM 514 C TRP A 36 7.951 -2.207 -3.549 1.00 0.24 C ATOM 515 O TRP A 36 7.420 -1.745 -2.539 1.00 0.25 O ATOM 516 CB TRP A 36 9.009 -3.939 -2.085 1.00 0.28 C ATOM 517 CG TRP A 36 9.364 -5.382 -1.881 1.00 0.29 C ATOM 518 CD1 TRP A 36 10.182 -5.879 -0.915 1.00 0.32 C ATOM 519 CD2 TRP A 36 8.916 -6.515 -2.648 1.00 0.31 C ATOM 520 NE1 TRP A 36 10.272 -7.243 -1.022 1.00 0.34 N ATOM 521 CE2 TRP A 36 9.507 -7.657 -2.077 1.00 0.34 C ATOM 522 CE3 TRP A 36 8.076 -6.679 -3.757 1.00 0.35 C ATOM 523 CZ2 TRP A 36 9.285 -8.940 -2.572 1.00 0.38 C ATOM 524 CZ3 TRP A 36 7.860 -7.952 -4.247 1.00 0.41 C ATOM 525 CH2 TRP A 36 8.461 -9.068 -3.656 1.00 0.42 C ATOM 0 H TRP A 36 10.611 -3.473 -4.012 1.00 0.30 H new ATOM 0 HA TRP A 36 7.824 -4.308 -3.849 1.00 0.27 H new ATOM 0 HB2 TRP A 36 9.868 -3.324 -1.818 1.00 0.28 H new ATOM 0 HB3 TRP A 36 8.202 -3.674 -1.401 1.00 0.28 H new ATOM 0 HD1 TRP A 36 10.689 -5.284 -0.170 1.00 0.32 H new ATOM 0 HE1 TRP A 36 10.821 -7.850 -0.413 1.00 0.34 H new ATOM 0 HE3 TRP A 36 7.605 -5.825 -4.221 1.00 0.35 H new ATOM 0 HZ2 TRP A 36 9.747 -9.803 -2.116 1.00 0.38 H new ATOM 0 HZ3 TRP A 36 7.215 -8.088 -5.102 1.00 0.41 H new ATOM 0 HH2 TRP A 36 8.271 -10.050 -4.064 1.00 0.42 H new ATOM 536 N ASP A 37 7.982 -1.554 -4.704 1.00 0.24 N ATOM 537 CA ASP A 37 7.362 -0.236 -4.845 1.00 0.21 C ATOM 538 C ASP A 37 5.884 -0.317 -4.467 1.00 0.21 C ATOM 539 O ASP A 37 5.283 -1.395 -4.535 1.00 0.24 O ATOM 540 CB ASP A 37 7.472 0.286 -6.284 1.00 0.25 C ATOM 541 CG ASP A 37 8.844 0.094 -6.902 1.00 0.82 C ATOM 542 OD1 ASP A 37 9.157 -1.045 -7.310 1.00 1.59 O ATOM 543 OD2 ASP A 37 9.594 1.081 -7.013 1.00 1.21 O ATOM 0 H ASP A 37 8.425 -1.909 -5.552 1.00 0.24 H new ATOM 0 HA ASP A 37 7.889 0.449 -4.182 1.00 0.21 H new ATOM 0 HB2 ASP A 37 6.731 -0.221 -6.902 1.00 0.25 H new ATOM 0 HB3 ASP A 37 7.224 1.347 -6.296 1.00 0.25 H new ATOM 548 N ILE A 38 5.300 0.825 -4.100 1.00 0.20 N ATOM 549 CA ILE A 38 3.901 0.886 -3.650 1.00 0.20 C ATOM 550 C ILE A 38 2.980 0.202 -4.658 1.00 0.20 C ATOM 551 O ILE A 38 2.046 -0.512 -4.291 1.00 0.23 O ATOM 552 CB ILE A 38 3.429 2.352 -3.443 1.00 0.20 C ATOM 553 CG1 ILE A 38 4.472 3.147 -2.649 1.00 0.20 C ATOM 554 CG2 ILE A 38 2.079 2.389 -2.734 1.00 0.23 C ATOM 555 CD1 ILE A 38 4.807 2.564 -1.291 1.00 0.24 C ATOM 0 H ILE A 38 5.775 1.728 -4.105 1.00 0.20 H new ATOM 0 HA ILE A 38 3.850 0.365 -2.694 1.00 0.20 H new ATOM 0 HB ILE A 38 3.315 2.814 -4.423 1.00 0.20 H new ATOM 0 HG12 ILE A 38 5.387 3.211 -3.238 1.00 0.20 H new ATOM 0 HG13 ILE A 38 4.108 4.165 -2.513 1.00 0.20 H new ATOM 0 HG21 ILE A 38 1.767 3.425 -2.599 1.00 0.23 H new ATOM 0 HG22 ILE A 38 1.338 1.862 -3.335 1.00 0.23 H new ATOM 0 HG23 ILE A 38 2.166 1.907 -1.760 1.00 0.23 H new ATOM 0 HD11 ILE A 38 5.552 3.190 -0.800 1.00 0.24 H new ATOM 0 HD12 ILE A 38 3.906 2.525 -0.679 1.00 0.24 H new ATOM 0 HD13 ILE A 38 5.204 1.557 -1.415 1.00 0.24 H new ATOM 567 N ARG A 39 3.287 0.413 -5.931 1.00 0.19 N ATOM 568 CA ARG A 39 2.553 -0.180 -7.041 1.00 0.20 C ATOM 569 C ARG A 39 2.477 -1.703 -6.914 1.00 0.19 C ATOM 570 O ARG A 39 1.416 -2.299 -7.087 1.00 0.25 O ATOM 571 CB ARG A 39 3.250 0.225 -8.350 1.00 0.31 C ATOM 572 CG ARG A 39 2.648 -0.357 -9.622 1.00 0.99 C ATOM 573 CD ARG A 39 3.123 -1.781 -9.889 1.00 1.11 C ATOM 574 NE ARG A 39 2.800 -2.206 -11.251 1.00 1.63 N ATOM 575 CZ ARG A 39 3.429 -3.176 -11.911 1.00 2.06 C ATOM 576 NH1 ARG A 39 4.429 -3.842 -11.342 1.00 2.03 N ATOM 577 NH2 ARG A 39 3.057 -3.475 -13.148 1.00 2.62 N ATOM 0 H ARG A 39 4.062 1.008 -6.225 1.00 0.19 H new ATOM 0 HA ARG A 39 1.527 0.187 -7.034 1.00 0.20 H new ATOM 0 HB2 ARG A 39 3.236 1.312 -8.427 1.00 0.31 H new ATOM 0 HB3 ARG A 39 4.296 -0.077 -8.293 1.00 0.31 H new ATOM 0 HG2 ARG A 39 1.561 -0.348 -9.544 1.00 0.99 H new ATOM 0 HG3 ARG A 39 2.912 0.276 -10.469 1.00 0.99 H new ATOM 0 HD2 ARG A 39 4.200 -1.842 -9.733 1.00 1.11 H new ATOM 0 HD3 ARG A 39 2.659 -2.461 -9.175 1.00 1.11 H new ATOM 0 HE ARG A 39 2.038 -1.725 -11.729 1.00 1.63 H new ATOM 0 HH11 ARG A 39 4.720 -3.611 -10.392 1.00 2.03 H new ATOM 0 HH12 ARG A 39 4.905 -4.584 -11.855 1.00 2.03 H new ATOM 0 HH21 ARG A 39 2.293 -2.963 -13.589 1.00 2.62 H new ATOM 0 HH22 ARG A 39 3.535 -4.217 -13.659 1.00 2.62 H new ATOM 591 N ASN A 40 3.605 -2.321 -6.600 1.00 0.17 N ATOM 592 CA ASN A 40 3.704 -3.778 -6.598 1.00 0.18 C ATOM 593 C ASN A 40 3.037 -4.360 -5.369 1.00 0.18 C ATOM 594 O ASN A 40 2.490 -5.461 -5.406 1.00 0.22 O ATOM 595 CB ASN A 40 5.169 -4.215 -6.662 1.00 0.22 C ATOM 596 CG ASN A 40 5.849 -3.706 -7.913 1.00 0.40 C ATOM 597 OD1 ASN A 40 5.765 -4.324 -8.972 1.00 0.69 O ATOM 598 ND2 ASN A 40 6.525 -2.577 -7.800 1.00 0.59 N ATOM 0 H ASN A 40 4.466 -1.839 -6.343 1.00 0.17 H new ATOM 0 HA ASN A 40 3.188 -4.155 -7.481 1.00 0.18 H new ATOM 0 HB2 ASN A 40 5.698 -3.845 -5.784 1.00 0.22 H new ATOM 0 HB3 ASN A 40 5.226 -5.303 -6.634 1.00 0.22 H new ATOM 0 HD21 ASN A 40 7.003 -2.186 -8.611 1.00 0.59 H new ATOM 0 HD22 ASN A 40 6.569 -2.096 -6.901 1.00 0.59 H new ATOM 605 N LEU A 41 3.072 -3.609 -4.287 1.00 0.18 N ATOM 606 CA LEU A 41 2.441 -4.038 -3.053 1.00 0.19 C ATOM 607 C LEU A 41 0.938 -3.964 -3.184 1.00 0.19 C ATOM 608 O LEU A 41 0.216 -4.763 -2.595 1.00 0.21 O ATOM 609 CB LEU A 41 2.941 -3.207 -1.876 1.00 0.21 C ATOM 610 CG LEU A 41 4.249 -3.710 -1.265 1.00 0.26 C ATOM 611 CD1 LEU A 41 3.998 -4.991 -0.485 1.00 0.32 C ATOM 612 CD2 LEU A 41 5.282 -3.959 -2.353 1.00 0.29 C ATOM 0 H LEU A 41 3.530 -2.699 -4.236 1.00 0.18 H new ATOM 0 HA LEU A 41 2.712 -5.076 -2.860 1.00 0.19 H new ATOM 0 HB2 LEU A 41 3.079 -2.177 -2.205 1.00 0.21 H new ATOM 0 HB3 LEU A 41 2.173 -3.194 -1.103 1.00 0.21 H new ATOM 0 HG LEU A 41 4.633 -2.948 -0.587 1.00 0.26 H new ATOM 0 HD11 LEU A 41 4.935 -5.343 -0.053 1.00 0.32 H new ATOM 0 HD12 LEU A 41 3.281 -4.797 0.312 1.00 0.32 H new ATOM 0 HD13 LEU A 41 3.599 -5.753 -1.155 1.00 0.32 H new ATOM 0 HD21 LEU A 41 6.207 -4.317 -1.901 1.00 0.29 H new ATOM 0 HD22 LEU A 41 4.904 -4.708 -3.049 1.00 0.29 H new ATOM 0 HD23 LEU A 41 5.476 -3.031 -2.890 1.00 0.29 H new ATOM 624 N LEU A 42 0.475 -3.010 -3.976 1.00 0.19 N ATOM 625 CA LEU A 42 -0.927 -2.938 -4.333 1.00 0.23 C ATOM 626 C LEU A 42 -1.350 -4.214 -5.047 1.00 0.21 C ATOM 627 O LEU A 42 -2.438 -4.728 -4.818 1.00 0.26 O ATOM 628 CB LEU A 42 -1.188 -1.714 -5.216 1.00 0.30 C ATOM 629 CG LEU A 42 -2.518 -1.719 -5.969 1.00 0.47 C ATOM 630 CD1 LEU A 42 -3.047 -0.311 -6.095 1.00 0.91 C ATOM 631 CD2 LEU A 42 -2.349 -2.332 -7.352 1.00 0.82 C ATOM 0 H LEU A 42 1.053 -2.275 -4.383 1.00 0.19 H new ATOM 0 HA LEU A 42 -1.519 -2.837 -3.423 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -1.147 -0.822 -4.592 1.00 0.30 H new ATOM 0 HB3 LEU A 42 -0.379 -1.632 -5.942 1.00 0.30 H new ATOM 0 HG LEU A 42 -3.230 -2.321 -5.405 1.00 0.47 H new ATOM 0 HD11 LEU A 42 -3.995 -0.325 -6.633 1.00 0.91 H new ATOM 0 HD12 LEU A 42 -3.200 0.110 -5.101 1.00 0.91 H new ATOM 0 HD13 LEU A 42 -2.329 0.300 -6.642 1.00 0.91 H new ATOM 0 HD21 LEU A 42 -3.307 -2.326 -7.872 1.00 0.82 H new ATOM 0 HD22 LEU A 42 -1.624 -1.751 -7.921 1.00 0.82 H new ATOM 0 HD23 LEU A 42 -1.995 -3.358 -7.254 1.00 0.82 H new ATOM 643 N VAL A 43 -0.474 -4.723 -5.905 1.00 0.20 N ATOM 644 CA VAL A 43 -0.740 -5.956 -6.633 1.00 0.22 C ATOM 645 C VAL A 43 -0.812 -7.123 -5.669 1.00 0.22 C ATOM 646 O VAL A 43 -1.735 -7.936 -5.731 1.00 0.24 O ATOM 647 CB VAL A 43 0.348 -6.246 -7.684 1.00 0.27 C ATOM 648 CG1 VAL A 43 0.049 -7.543 -8.420 1.00 0.31 C ATOM 649 CG2 VAL A 43 0.478 -5.086 -8.655 1.00 0.32 C ATOM 0 H VAL A 43 0.430 -4.298 -6.114 1.00 0.20 H new ATOM 0 HA VAL A 43 -1.693 -5.829 -7.147 1.00 0.22 H new ATOM 0 HB VAL A 43 1.302 -6.362 -7.169 1.00 0.27 H new ATOM 0 HG11 VAL A 43 0.829 -7.731 -9.158 1.00 0.31 H new ATOM 0 HG12 VAL A 43 0.018 -8.367 -7.707 1.00 0.31 H new ATOM 0 HG13 VAL A 43 -0.915 -7.462 -8.923 1.00 0.31 H new ATOM 0 HG21 VAL A 43 1.252 -5.311 -9.389 1.00 0.32 H new ATOM 0 HG22 VAL A 43 -0.472 -4.931 -9.166 1.00 0.32 H new ATOM 0 HG23 VAL A 43 0.748 -4.182 -8.108 1.00 0.32 H new ATOM 659 N TRP A 44 0.172 -7.191 -4.780 1.00 0.23 N ATOM 660 CA TRP A 44 0.199 -8.205 -3.740 1.00 0.27 C ATOM 661 C TRP A 44 -1.099 -8.147 -2.942 1.00 0.28 C ATOM 662 O TRP A 44 -1.741 -9.163 -2.685 1.00 0.33 O ATOM 663 CB TRP A 44 1.401 -7.973 -2.810 1.00 0.31 C ATOM 664 CG TRP A 44 1.584 -9.047 -1.779 1.00 0.41 C ATOM 665 CD1 TRP A 44 0.881 -9.198 -0.618 1.00 0.45 C ATOM 666 CD2 TRP A 44 2.547 -10.108 -1.809 1.00 0.54 C ATOM 667 NE1 TRP A 44 1.336 -10.298 0.068 1.00 0.56 N ATOM 668 CE2 TRP A 44 2.357 -10.874 -0.644 1.00 0.61 C ATOM 669 CE3 TRP A 44 3.542 -10.490 -2.714 1.00 0.65 C ATOM 670 CZ2 TRP A 44 3.131 -11.996 -0.358 1.00 0.76 C ATOM 671 CZ3 TRP A 44 4.309 -11.604 -2.428 1.00 0.81 C ATOM 672 CH2 TRP A 44 4.097 -12.347 -1.259 1.00 0.85 C ATOM 0 H TRP A 44 0.965 -6.550 -4.761 1.00 0.23 H new ATOM 0 HA TRP A 44 0.297 -9.189 -4.198 1.00 0.27 H new ATOM 0 HB2 TRP A 44 2.307 -7.902 -3.413 1.00 0.31 H new ATOM 0 HB3 TRP A 44 1.279 -7.015 -2.305 1.00 0.31 H new ATOM 0 HD1 TRP A 44 0.084 -8.548 -0.288 1.00 0.45 H new ATOM 0 HE1 TRP A 44 0.974 -10.632 0.961 1.00 0.56 H new ATOM 0 HE3 TRP A 44 3.708 -9.925 -3.620 1.00 0.65 H new ATOM 0 HZ2 TRP A 44 2.973 -12.569 0.544 1.00 0.76 H new ATOM 0 HZ3 TRP A 44 5.084 -11.907 -3.117 1.00 0.81 H new ATOM 0 HH2 TRP A 44 4.710 -13.215 -1.066 1.00 0.85 H new ATOM 683 N ILE A 45 -1.486 -6.938 -2.582 1.00 0.26 N ATOM 684 CA ILE A 45 -2.696 -6.708 -1.819 1.00 0.29 C ATOM 685 C ILE A 45 -3.938 -7.080 -2.628 1.00 0.31 C ATOM 686 O ILE A 45 -4.821 -7.780 -2.142 1.00 0.37 O ATOM 687 CB ILE A 45 -2.765 -5.232 -1.365 1.00 0.31 C ATOM 688 CG1 ILE A 45 -1.761 -4.986 -0.234 1.00 0.36 C ATOM 689 CG2 ILE A 45 -4.169 -4.857 -0.928 1.00 0.36 C ATOM 690 CD1 ILE A 45 -1.638 -3.531 0.172 1.00 0.47 C ATOM 0 H ILE A 45 -0.970 -6.088 -2.811 1.00 0.26 H new ATOM 0 HA ILE A 45 -2.670 -7.348 -0.937 1.00 0.29 H new ATOM 0 HB ILE A 45 -2.504 -4.599 -2.213 1.00 0.31 H new ATOM 0 HG12 ILE A 45 -2.058 -5.572 0.636 1.00 0.36 H new ATOM 0 HG13 ILE A 45 -0.782 -5.350 -0.545 1.00 0.36 H new ATOM 0 HG21 ILE A 45 -4.186 -3.813 -0.614 1.00 0.36 H new ATOM 0 HG22 ILE A 45 -4.859 -4.997 -1.760 1.00 0.36 H new ATOM 0 HG23 ILE A 45 -4.472 -5.491 -0.095 1.00 0.36 H new ATOM 0 HD11 ILE A 45 -0.909 -3.438 0.977 1.00 0.47 H new ATOM 0 HD12 ILE A 45 -1.310 -2.941 -0.684 1.00 0.47 H new ATOM 0 HD13 ILE A 45 -2.606 -3.166 0.515 1.00 0.47 H new ATOM 702 N LYS A 46 -3.983 -6.635 -3.868 1.00 0.29 N ATOM 703 CA LYS A 46 -5.133 -6.870 -4.727 1.00 0.35 C ATOM 704 C LYS A 46 -5.328 -8.351 -5.034 1.00 0.39 C ATOM 705 O LYS A 46 -6.363 -8.929 -4.718 1.00 0.44 O ATOM 706 CB LYS A 46 -4.967 -6.109 -6.044 1.00 0.39 C ATOM 707 CG LYS A 46 -5.791 -4.833 -6.140 1.00 0.91 C ATOM 708 CD LYS A 46 -5.680 -4.205 -7.524 1.00 0.91 C ATOM 709 CE LYS A 46 -6.139 -5.167 -8.613 1.00 1.26 C ATOM 710 NZ LYS A 46 -5.930 -4.623 -9.982 1.00 1.93 N ATOM 0 H LYS A 46 -3.232 -6.104 -4.308 1.00 0.29 H new ATOM 0 HA LYS A 46 -6.012 -6.514 -4.190 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -3.914 -5.858 -6.175 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -5.242 -6.768 -6.868 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -6.836 -5.055 -5.922 1.00 0.91 H new ATOM 0 HG3 LYS A 46 -5.452 -4.121 -5.387 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -6.282 -3.297 -7.562 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -4.647 -3.910 -7.709 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -5.598 -6.108 -8.513 1.00 1.26 H new ATOM 0 HE3 LYS A 46 -7.196 -5.391 -8.473 1.00 1.26 H new ATOM 0 HZ1 LYS A 46 -6.258 -5.316 -10.685 1.00 1.93 H new ATOM 0 HZ2 LYS A 46 -6.467 -3.739 -10.090 1.00 1.93 H new ATOM 0 HZ3 LYS A 46 -4.918 -4.433 -10.130 1.00 1.93 H new ATOM 724 N LYS A 47 -4.310 -8.968 -5.602 1.00 0.41 N ATOM 725 CA LYS A 47 -4.470 -10.293 -6.185 1.00 0.52 C ATOM 726 C LYS A 47 -4.222 -11.410 -5.176 1.00 0.57 C ATOM 727 O LYS A 47 -4.609 -12.554 -5.408 1.00 0.78 O ATOM 728 CB LYS A 47 -3.547 -10.449 -7.394 1.00 0.65 C ATOM 729 CG LYS A 47 -3.746 -9.365 -8.443 1.00 1.31 C ATOM 730 CD LYS A 47 -2.985 -9.668 -9.723 1.00 1.66 C ATOM 731 CE LYS A 47 -3.095 -8.523 -10.716 1.00 2.33 C ATOM 732 NZ LYS A 47 -2.497 -8.871 -12.031 1.00 2.96 N ATOM 0 H LYS A 47 -3.369 -8.580 -5.674 1.00 0.41 H new ATOM 0 HA LYS A 47 -5.508 -10.382 -6.506 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -2.511 -10.433 -7.056 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -3.719 -11.424 -7.851 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -4.808 -9.267 -8.667 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -3.415 -8.407 -8.042 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -1.936 -9.850 -9.490 1.00 1.66 H new ATOM 0 HD3 LYS A 47 -3.375 -10.581 -10.173 1.00 1.66 H new ATOM 0 HE2 LYS A 47 -4.144 -8.260 -10.852 1.00 2.33 H new ATOM 0 HE3 LYS A 47 -2.596 -7.642 -10.312 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 -2.592 -8.064 -12.680 1.00 2.96 H new ATOM 0 HZ2 LYS A 47 -1.490 -9.097 -11.905 1.00 2.96 H new ATOM 0 HZ3 LYS A 47 -2.990 -9.696 -12.429 1.00 2.96 H new ATOM 746 N ASN A 48 -3.580 -11.096 -4.061 1.00 0.50 N ATOM 747 CA ASN A 48 -3.289 -12.115 -3.053 1.00 0.58 C ATOM 748 C ASN A 48 -4.107 -11.913 -1.783 1.00 0.58 C ATOM 749 O ASN A 48 -4.425 -12.879 -1.086 1.00 0.77 O ATOM 750 CB ASN A 48 -1.797 -12.130 -2.697 1.00 0.61 C ATOM 751 CG ASN A 48 -0.944 -12.922 -3.674 1.00 1.41 C ATOM 752 OD1 ASN A 48 0.110 -13.441 -3.304 1.00 2.21 O ATOM 753 ND2 ASN A 48 -1.386 -13.030 -4.918 1.00 2.09 N ATOM 0 H ASN A 48 -3.253 -10.158 -3.829 1.00 0.50 H new ATOM 0 HA ASN A 48 -3.566 -13.073 -3.493 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -1.431 -11.104 -2.658 1.00 0.61 H new ATOM 0 HB3 ASN A 48 -1.675 -12.550 -1.699 1.00 0.61 H new ATOM 0 HD21 ASN A 48 -0.848 -13.557 -5.606 1.00 2.09 H new ATOM 0 HD22 ASN A 48 -2.264 -12.586 -5.188 1.00 2.09 H new ATOM 760 N LEU A 49 -4.468 -10.676 -1.484 1.00 0.42 N ATOM 761 CA LEU A 49 -5.077 -10.376 -0.199 1.00 0.44 C ATOM 762 C LEU A 49 -6.561 -10.010 -0.327 1.00 0.39 C ATOM 763 O LEU A 49 -7.349 -10.318 0.567 1.00 0.39 O ATOM 764 CB LEU A 49 -4.299 -9.251 0.486 1.00 0.50 C ATOM 765 CG LEU A 49 -4.573 -9.070 1.979 1.00 0.57 C ATOM 766 CD1 LEU A 49 -4.191 -10.325 2.747 1.00 1.32 C ATOM 767 CD2 LEU A 49 -3.812 -7.866 2.511 1.00 1.10 C ATOM 0 H LEU A 49 -4.352 -9.874 -2.103 1.00 0.42 H new ATOM 0 HA LEU A 49 -5.030 -11.278 0.412 1.00 0.44 H new ATOM 0 HB2 LEU A 49 -3.233 -9.436 0.351 1.00 0.50 H new ATOM 0 HB3 LEU A 49 -4.527 -8.314 -0.023 1.00 0.50 H new ATOM 0 HG LEU A 49 -5.640 -8.896 2.118 1.00 0.57 H new ATOM 0 HD11 LEU A 49 -4.393 -10.178 3.808 1.00 1.32 H new ATOM 0 HD12 LEU A 49 -4.776 -11.168 2.380 1.00 1.32 H new ATOM 0 HD13 LEU A 49 -3.130 -10.530 2.605 1.00 1.32 H new ATOM 0 HD21 LEU A 49 -4.016 -7.748 3.575 1.00 1.10 H new ATOM 0 HD22 LEU A 49 -2.743 -8.016 2.361 1.00 1.10 H new ATOM 0 HD23 LEU A 49 -4.131 -6.970 1.979 1.00 1.10 H new ATOM 779 N LEU A 50 -6.947 -9.364 -1.428 1.00 0.39 N ATOM 780 CA LEU A 50 -8.337 -8.949 -1.614 1.00 0.39 C ATOM 781 C LEU A 50 -9.211 -10.183 -1.837 1.00 0.41 C ATOM 782 O LEU A 50 -9.158 -10.814 -2.894 1.00 0.50 O ATOM 783 CB LEU A 50 -8.451 -7.982 -2.804 1.00 0.47 C ATOM 784 CG LEU A 50 -9.580 -6.937 -2.739 1.00 0.44 C ATOM 785 CD1 LEU A 50 -10.934 -7.581 -2.536 1.00 0.51 C ATOM 786 CD2 LEU A 50 -9.324 -5.933 -1.637 1.00 0.62 C ATOM 0 H LEU A 50 -6.324 -9.119 -2.197 1.00 0.39 H new ATOM 0 HA LEU A 50 -8.680 -8.428 -0.720 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -7.503 -7.453 -2.905 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -8.585 -8.572 -3.711 1.00 0.47 H new ATOM 0 HG LEU A 50 -9.589 -6.421 -3.699 1.00 0.44 H new ATOM 0 HD11 LEU A 50 -11.702 -6.809 -2.496 1.00 0.51 H new ATOM 0 HD12 LEU A 50 -11.143 -8.258 -3.365 1.00 0.51 H new ATOM 0 HD13 LEU A 50 -10.934 -8.141 -1.601 1.00 0.51 H new ATOM 0 HD21 LEU A 50 -10.135 -5.206 -1.612 1.00 0.62 H new ATOM 0 HD22 LEU A 50 -9.270 -6.450 -0.679 1.00 0.62 H new ATOM 0 HD23 LEU A 50 -8.382 -5.419 -1.825 1.00 0.62 H new ATOM 798 N LYS A 51 -10.000 -10.531 -0.829 1.00 0.40 N ATOM 799 CA LYS A 51 -10.811 -11.739 -0.872 1.00 0.47 C ATOM 800 C LYS A 51 -12.059 -11.558 -1.733 1.00 0.52 C ATOM 801 O LYS A 51 -12.451 -12.467 -2.470 1.00 0.63 O ATOM 802 CB LYS A 51 -11.194 -12.145 0.549 1.00 0.52 C ATOM 803 CG LYS A 51 -9.989 -12.349 1.452 1.00 0.57 C ATOM 804 CD LYS A 51 -8.970 -13.288 0.818 1.00 1.08 C ATOM 805 CE LYS A 51 -7.827 -13.613 1.769 1.00 1.81 C ATOM 806 NZ LYS A 51 -8.256 -14.536 2.851 1.00 2.26 N ATOM 0 H LYS A 51 -10.095 -9.991 0.031 1.00 0.40 H new ATOM 0 HA LYS A 51 -10.219 -12.530 -1.332 1.00 0.47 H new ATOM 0 HB2 LYS A 51 -11.838 -11.378 0.979 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -11.775 -13.066 0.514 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -9.520 -11.387 1.658 1.00 0.57 H new ATOM 0 HG3 LYS A 51 -10.315 -12.756 2.409 1.00 0.57 H new ATOM 0 HD2 LYS A 51 -9.465 -14.211 0.517 1.00 1.08 H new ATOM 0 HD3 LYS A 51 -8.570 -12.831 -0.087 1.00 1.08 H new ATOM 0 HE2 LYS A 51 -7.006 -14.064 1.211 1.00 1.81 H new ATOM 0 HE3 LYS A 51 -7.446 -12.691 2.208 1.00 1.81 H new ATOM 0 HZ1 LYS A 51 -7.425 -14.841 3.397 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 -8.923 -14.046 3.481 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 -8.720 -15.368 2.434 1.00 2.26 H new ATOM 820 N GLU A 52 -12.677 -10.390 -1.638 1.00 0.52 N ATOM 821 CA GLU A 52 -13.870 -10.094 -2.425 1.00 0.59 C ATOM 822 C GLU A 52 -13.489 -9.475 -3.774 1.00 0.58 C ATOM 823 O GLU A 52 -12.393 -9.717 -4.281 1.00 0.72 O ATOM 824 CB GLU A 52 -14.813 -9.181 -1.630 1.00 0.66 C ATOM 825 CG GLU A 52 -14.146 -7.959 -1.016 1.00 0.64 C ATOM 826 CD GLU A 52 -15.082 -7.205 -0.093 1.00 0.90 C ATOM 827 OE1 GLU A 52 -15.113 -7.513 1.116 1.00 1.16 O ATOM 828 OE2 GLU A 52 -15.781 -6.286 -0.567 1.00 1.15 O ATOM 0 H GLU A 52 -12.375 -9.632 -1.026 1.00 0.52 H new ATOM 0 HA GLU A 52 -14.398 -11.025 -2.632 1.00 0.59 H new ATOM 0 HB2 GLU A 52 -15.615 -8.848 -2.289 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -15.276 -9.764 -0.834 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -13.261 -8.270 -0.460 1.00 0.64 H new ATOM 0 HG3 GLU A 52 -13.806 -7.294 -1.810 1.00 0.64 H new ATOM 835 N ARG A 53 -14.397 -8.707 -4.363 1.00 0.65 N ATOM 836 CA ARG A 53 -14.145 -8.083 -5.657 1.00 0.68 C ATOM 837 C ARG A 53 -13.360 -6.781 -5.499 1.00 0.59 C ATOM 838 O ARG A 53 -13.865 -5.807 -4.943 1.00 0.65 O ATOM 839 CB ARG A 53 -15.466 -7.813 -6.385 1.00 0.87 C ATOM 840 CG ARG A 53 -16.199 -9.076 -6.813 1.00 1.34 C ATOM 841 CD ARG A 53 -17.591 -8.766 -7.341 1.00 1.78 C ATOM 842 NE ARG A 53 -17.563 -7.839 -8.475 1.00 2.46 N ATOM 843 CZ ARG A 53 -18.621 -7.156 -8.911 1.00 3.32 C ATOM 844 NH1 ARG A 53 -19.808 -7.313 -8.337 1.00 3.80 N ATOM 845 NH2 ARG A 53 -18.501 -6.322 -9.933 1.00 4.10 N ATOM 0 H ARG A 53 -15.314 -8.501 -3.966 1.00 0.65 H new ATOM 0 HA ARG A 53 -13.545 -8.773 -6.250 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -16.117 -7.229 -5.734 1.00 0.87 H new ATOM 0 HB3 ARG A 53 -15.267 -7.203 -7.266 1.00 0.87 H new ATOM 0 HG2 ARG A 53 -15.623 -9.588 -7.584 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -16.274 -9.758 -5.966 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -18.077 -9.693 -7.645 1.00 1.78 H new ATOM 0 HD3 ARG A 53 -18.194 -8.338 -6.540 1.00 1.78 H new ATOM 0 HE ARG A 53 -16.677 -7.708 -8.962 1.00 2.46 H new ATOM 0 HH11 ARG A 53 -19.915 -7.960 -7.556 1.00 3.80 H new ATOM 0 HH12 ARG A 53 -20.613 -6.786 -8.677 1.00 3.80 H new ATOM 0 HH21 ARG A 53 -17.597 -6.201 -10.389 1.00 4.10 H new ATOM 0 HH22 ARG A 53 -19.313 -5.801 -10.264 1.00 4.10 H new ATOM 859 N PRO A 54 -12.112 -6.747 -6.003 1.00 0.55 N ATOM 860 CA PRO A 54 -11.239 -5.561 -5.936 1.00 0.53 C ATOM 861 C PRO A 54 -11.759 -4.398 -6.776 1.00 0.57 C ATOM 862 O PRO A 54 -11.177 -3.313 -6.787 1.00 0.59 O ATOM 863 CB PRO A 54 -9.912 -6.052 -6.522 1.00 0.61 C ATOM 864 CG PRO A 54 -9.989 -7.540 -6.470 1.00 0.68 C ATOM 865 CD PRO A 54 -11.436 -7.872 -6.663 1.00 0.65 C ATOM 0 HA PRO A 54 -11.170 -5.183 -4.916 1.00 0.53 H new ATOM 0 HB2 PRO A 54 -9.779 -5.700 -7.545 1.00 0.61 H new ATOM 0 HB3 PRO A 54 -9.065 -5.681 -5.945 1.00 0.61 H new ATOM 0 HG2 PRO A 54 -9.375 -7.992 -7.249 1.00 0.68 H new ATOM 0 HG3 PRO A 54 -9.623 -7.919 -5.516 1.00 0.68 H new ATOM 0 HD2 PRO A 54 -11.699 -7.941 -7.719 1.00 0.65 H new ATOM 0 HD3 PRO A 54 -11.698 -8.827 -6.207 1.00 0.65 H new ATOM 873 N GLU A 55 -12.839 -4.645 -7.489 1.00 0.64 N ATOM 874 CA GLU A 55 -13.454 -3.646 -8.353 1.00 0.75 C ATOM 875 C GLU A 55 -13.919 -2.418 -7.574 1.00 0.69 C ATOM 876 O GLU A 55 -13.725 -1.286 -8.016 1.00 0.80 O ATOM 877 CB GLU A 55 -14.615 -4.282 -9.108 1.00 0.92 C ATOM 878 CG GLU A 55 -14.172 -5.399 -10.034 1.00 1.39 C ATOM 879 CD GLU A 55 -15.304 -6.325 -10.412 1.00 1.89 C ATOM 880 OE1 GLU A 55 -16.149 -5.941 -11.248 1.00 2.27 O ATOM 881 OE2 GLU A 55 -15.364 -7.442 -9.865 1.00 2.43 O ATOM 0 H GLU A 55 -13.319 -5.545 -7.489 1.00 0.64 H new ATOM 0 HA GLU A 55 -12.703 -3.298 -9.062 1.00 0.75 H new ATOM 0 HB2 GLU A 55 -15.337 -4.675 -8.392 1.00 0.92 H new ATOM 0 HB3 GLU A 55 -15.128 -3.516 -9.690 1.00 0.92 H new ATOM 0 HG2 GLU A 55 -13.743 -4.967 -10.939 1.00 1.39 H new ATOM 0 HG3 GLU A 55 -13.383 -5.975 -9.551 1.00 1.39 H new ATOM 888 N LEU A 56 -14.518 -2.637 -6.412 1.00 0.64 N ATOM 889 CA LEU A 56 -14.949 -1.531 -5.561 1.00 0.68 C ATOM 890 C LEU A 56 -13.772 -1.004 -4.737 1.00 0.59 C ATOM 891 O LEU A 56 -13.866 0.016 -4.060 1.00 0.69 O ATOM 892 CB LEU A 56 -16.113 -1.963 -4.651 1.00 0.81 C ATOM 893 CG LEU A 56 -15.994 -3.354 -4.011 1.00 1.09 C ATOM 894 CD1 LEU A 56 -14.752 -3.457 -3.143 1.00 1.86 C ATOM 895 CD2 LEU A 56 -17.238 -3.663 -3.194 1.00 2.05 C ATOM 0 H LEU A 56 -14.717 -3.564 -6.036 1.00 0.64 H new ATOM 0 HA LEU A 56 -15.308 -0.723 -6.198 1.00 0.68 H new ATOM 0 HB2 LEU A 56 -16.216 -1.227 -3.854 1.00 0.81 H new ATOM 0 HB3 LEU A 56 -17.033 -1.932 -5.234 1.00 0.81 H new ATOM 0 HG LEU A 56 -15.904 -4.088 -4.812 1.00 1.09 H new ATOM 0 HD11 LEU A 56 -14.696 -4.453 -2.704 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -13.866 -3.279 -3.753 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -14.801 -2.713 -2.348 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -17.142 -4.652 -2.745 1.00 2.05 H new ATOM 0 HD22 LEU A 56 -17.351 -2.917 -2.408 1.00 2.05 H new ATOM 0 HD23 LEU A 56 -18.114 -3.642 -3.843 1.00 2.05 H new ATOM 907 N PHE A 57 -12.662 -1.722 -4.816 1.00 0.47 N ATOM 908 CA PHE A 57 -11.446 -1.384 -4.093 1.00 0.41 C ATOM 909 C PHE A 57 -10.639 -0.370 -4.918 1.00 0.37 C ATOM 910 O PHE A 57 -11.182 0.258 -5.826 1.00 0.37 O ATOM 911 CB PHE A 57 -10.669 -2.682 -3.773 1.00 0.38 C ATOM 912 CG PHE A 57 -9.410 -2.510 -2.962 1.00 0.35 C ATOM 913 CD1 PHE A 57 -9.422 -1.732 -1.817 1.00 0.35 C ATOM 914 CD2 PHE A 57 -8.216 -3.103 -3.351 1.00 0.37 C ATOM 915 CE1 PHE A 57 -8.274 -1.553 -1.070 1.00 0.36 C ATOM 916 CE2 PHE A 57 -7.064 -2.925 -2.609 1.00 0.38 C ATOM 917 CZ PHE A 57 -7.083 -2.234 -1.466 1.00 0.35 C ATOM 0 H PHE A 57 -12.579 -2.562 -5.388 1.00 0.47 H new ATOM 0 HA PHE A 57 -11.668 -0.908 -3.138 1.00 0.41 H new ATOM 0 HB2 PHE A 57 -11.334 -3.359 -3.237 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -10.409 -3.169 -4.713 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -10.341 -1.259 -1.504 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -8.188 -3.710 -4.244 1.00 0.37 H new ATOM 0 HE1 PHE A 57 -8.277 -0.910 -0.202 1.00 0.36 H new ATOM 0 HE2 PHE A 57 -6.135 -3.351 -2.958 1.00 0.38 H new ATOM 0 HZ PHE A 57 -6.201 -2.191 -0.844 1.00 0.35 H new ATOM 927 N ILE A 58 -9.371 -0.180 -4.597 1.00 0.36 N ATOM 928 CA ILE A 58 -8.581 0.893 -5.176 1.00 0.36 C ATOM 929 C ILE A 58 -8.129 0.557 -6.592 1.00 0.30 C ATOM 930 O ILE A 58 -8.073 -0.614 -6.976 1.00 0.30 O ATOM 931 CB ILE A 58 -7.332 1.155 -4.314 1.00 0.45 C ATOM 932 CG1 ILE A 58 -6.433 -0.080 -4.317 1.00 0.51 C ATOM 933 CG2 ILE A 58 -7.739 1.519 -2.897 1.00 0.97 C ATOM 934 CD1 ILE A 58 -5.199 0.050 -3.452 1.00 0.90 C ATOM 0 H ILE A 58 -8.862 -0.762 -3.931 1.00 0.36 H new ATOM 0 HA ILE A 58 -9.215 1.779 -5.209 1.00 0.36 H new ATOM 0 HB ILE A 58 -6.776 1.993 -4.735 1.00 0.45 H new ATOM 0 HG12 ILE A 58 -7.013 -0.938 -3.977 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -6.125 -0.289 -5.341 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -6.847 1.702 -2.298 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -8.355 2.418 -2.915 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -8.308 0.699 -2.460 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -4.616 -0.869 -3.510 1.00 0.90 H new ATOM 0 HD12 ILE A 58 -4.595 0.886 -3.804 1.00 0.90 H new ATOM 0 HD13 ILE A 58 -5.496 0.227 -2.418 1.00 0.90 H new ATOM 946 N GLN A 59 -7.842 1.597 -7.370 1.00 0.31 N ATOM 947 CA GLN A 59 -7.370 1.423 -8.734 1.00 0.30 C ATOM 948 C GLN A 59 -6.001 0.751 -8.724 1.00 0.27 C ATOM 949 O GLN A 59 -5.194 0.999 -7.827 1.00 0.29 O ATOM 950 CB GLN A 59 -7.361 2.771 -9.487 1.00 0.39 C ATOM 951 CG GLN A 59 -6.502 3.878 -8.878 1.00 0.56 C ATOM 952 CD GLN A 59 -5.022 3.748 -9.184 1.00 0.60 C ATOM 953 OE1 GLN A 59 -4.636 3.157 -10.184 1.00 1.35 O ATOM 954 NE2 GLN A 59 -4.186 4.345 -8.346 1.00 0.58 N ATOM 0 H GLN A 59 -7.929 2.570 -7.075 1.00 0.31 H new ATOM 0 HA GLN A 59 -8.055 0.770 -9.275 1.00 0.30 H new ATOM 0 HB2 GLN A 59 -7.017 2.592 -10.506 1.00 0.39 H new ATOM 0 HB3 GLN A 59 -8.387 3.132 -9.555 1.00 0.39 H new ATOM 0 HG2 GLN A 59 -6.855 4.842 -9.245 1.00 0.56 H new ATOM 0 HG3 GLN A 59 -6.641 3.878 -7.797 1.00 0.56 H new ATOM 0 HE21 GLN A 59 -4.547 4.828 -7.523 1.00 0.58 H new ATOM 0 HE22 GLN A 59 -3.182 4.322 -8.524 1.00 0.58 H new ATOM 963 N GLY A 60 -5.754 -0.100 -9.714 1.00 0.32 N ATOM 964 CA GLY A 60 -4.608 -0.996 -9.681 1.00 0.38 C ATOM 965 C GLY A 60 -3.281 -0.338 -10.016 1.00 0.37 C ATOM 966 O GLY A 60 -2.567 -0.799 -10.904 1.00 0.55 O ATOM 0 H GLY A 60 -6.333 -0.187 -10.549 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -4.538 -1.439 -8.688 1.00 0.38 H new ATOM 0 HA3 GLY A 60 -4.781 -1.812 -10.382 1.00 0.38 H new ATOM 970 N ASP A 61 -2.947 0.723 -9.299 1.00 0.40 N ATOM 971 CA ASP A 61 -1.638 1.357 -9.412 1.00 0.46 C ATOM 972 C ASP A 61 -1.212 1.918 -8.062 1.00 0.44 C ATOM 973 O ASP A 61 -0.073 1.736 -7.639 1.00 0.54 O ATOM 974 CB ASP A 61 -1.632 2.473 -10.470 1.00 0.55 C ATOM 975 CG ASP A 61 -1.601 1.946 -11.895 1.00 0.81 C ATOM 976 OD1 ASP A 61 -0.511 1.565 -12.374 1.00 1.06 O ATOM 977 OD2 ASP A 61 -2.666 1.921 -12.555 1.00 0.96 O ATOM 0 H ASP A 61 -3.570 1.169 -8.625 1.00 0.40 H new ATOM 0 HA ASP A 61 -0.928 0.594 -9.731 1.00 0.46 H new ATOM 0 HB2 ASP A 61 -2.518 3.094 -10.338 1.00 0.55 H new ATOM 0 HB3 ASP A 61 -0.766 3.114 -10.308 1.00 0.55 H new ATOM 982 N SER A 62 -2.141 2.578 -7.374 1.00 0.40 N ATOM 983 CA SER A 62 -1.854 3.184 -6.076 1.00 0.46 C ATOM 984 C SER A 62 -3.067 3.059 -5.139 1.00 0.47 C ATOM 985 O SER A 62 -3.090 2.197 -4.267 1.00 0.70 O ATOM 986 CB SER A 62 -1.440 4.652 -6.264 1.00 0.53 C ATOM 987 OG SER A 62 -1.041 5.251 -5.045 1.00 0.80 O ATOM 0 H SER A 62 -3.101 2.707 -7.695 1.00 0.40 H new ATOM 0 HA SER A 62 -1.024 2.652 -5.611 1.00 0.46 H new ATOM 0 HB2 SER A 62 -0.621 4.709 -6.981 1.00 0.53 H new ATOM 0 HB3 SER A 62 -2.274 5.212 -6.687 1.00 0.53 H new ATOM 0 HG SER A 62 -1.158 6.222 -5.104 1.00 0.80 H new ATOM 993 N VAL A 63 -4.072 3.914 -5.330 1.00 0.38 N ATOM 994 CA VAL A 63 -5.330 3.839 -4.567 1.00 0.37 C ATOM 995 C VAL A 63 -6.478 4.498 -5.323 1.00 0.40 C ATOM 996 O VAL A 63 -6.254 5.301 -6.224 1.00 0.52 O ATOM 997 CB VAL A 63 -5.236 4.508 -3.176 1.00 0.53 C ATOM 998 CG1 VAL A 63 -4.875 3.493 -2.102 1.00 0.83 C ATOM 999 CG2 VAL A 63 -4.240 5.654 -3.193 1.00 0.78 C ATOM 0 H VAL A 63 -4.044 4.674 -6.010 1.00 0.38 H new ATOM 0 HA VAL A 63 -5.518 2.774 -4.434 1.00 0.37 H new ATOM 0 HB VAL A 63 -6.218 4.915 -2.935 1.00 0.53 H new ATOM 0 HG11 VAL A 63 -4.816 3.992 -1.135 1.00 0.83 H new ATOM 0 HG12 VAL A 63 -5.639 2.717 -2.064 1.00 0.83 H new ATOM 0 HG13 VAL A 63 -3.911 3.042 -2.337 1.00 0.83 H new ATOM 0 HG21 VAL A 63 -4.192 6.109 -2.204 1.00 0.78 H new ATOM 0 HG22 VAL A 63 -3.255 5.276 -3.467 1.00 0.78 H new ATOM 0 HG23 VAL A 63 -4.557 6.401 -3.920 1.00 0.78 H new ATOM 1009 N ARG A 64 -7.707 4.135 -4.959 1.00 0.36 N ATOM 1010 CA ARG A 64 -8.897 4.803 -5.479 1.00 0.40 C ATOM 1011 C ARG A 64 -8.995 6.179 -4.825 1.00 0.40 C ATOM 1012 O ARG A 64 -8.423 6.379 -3.762 1.00 0.40 O ATOM 1013 CB ARG A 64 -10.176 3.989 -5.169 1.00 0.41 C ATOM 1014 CG ARG A 64 -10.452 3.807 -3.676 1.00 0.36 C ATOM 1015 CD ARG A 64 -11.913 3.473 -3.386 1.00 0.45 C ATOM 1016 NE ARG A 64 -12.128 2.112 -2.900 1.00 1.05 N ATOM 1017 CZ ARG A 64 -12.798 1.833 -1.771 1.00 1.39 C ATOM 1018 NH1 ARG A 64 -13.209 2.815 -0.981 1.00 1.63 N ATOM 1019 NH2 ARG A 64 -13.057 0.576 -1.430 1.00 2.05 N ATOM 0 H ARG A 64 -7.904 3.379 -4.303 1.00 0.36 H new ATOM 0 HA ARG A 64 -8.814 4.893 -6.562 1.00 0.40 H new ATOM 0 HB2 ARG A 64 -11.031 4.486 -5.628 1.00 0.41 H new ATOM 0 HB3 ARG A 64 -10.091 3.007 -5.634 1.00 0.41 H new ATOM 0 HG2 ARG A 64 -9.817 3.011 -3.287 1.00 0.36 H new ATOM 0 HG3 ARG A 64 -10.180 4.720 -3.146 1.00 0.36 H new ATOM 0 HD2 ARG A 64 -12.296 4.176 -2.646 1.00 0.45 H new ATOM 0 HD3 ARG A 64 -12.496 3.619 -4.296 1.00 0.45 H new ATOM 0 HE ARG A 64 -11.751 1.337 -3.445 1.00 1.05 H new ATOM 0 HH11 ARG A 64 -13.016 3.785 -1.231 1.00 1.63 H new ATOM 0 HH12 ARG A 64 -13.718 2.601 -0.123 1.00 1.63 H new ATOM 0 HH21 ARG A 64 -12.746 -0.189 -2.028 1.00 2.05 H new ATOM 0 HH22 ARG A 64 -13.567 0.376 -0.570 1.00 2.05 H new ATOM 1033 N PRO A 65 -9.719 7.139 -5.421 1.00 0.49 N ATOM 1034 CA PRO A 65 -9.922 8.459 -4.804 1.00 0.53 C ATOM 1035 C PRO A 65 -10.550 8.335 -3.417 1.00 0.44 C ATOM 1036 O PRO A 65 -10.426 9.222 -2.573 1.00 0.51 O ATOM 1037 CB PRO A 65 -10.880 9.172 -5.760 1.00 0.65 C ATOM 1038 CG PRO A 65 -10.757 8.450 -7.057 1.00 0.72 C ATOM 1039 CD PRO A 65 -10.380 7.032 -6.729 1.00 0.61 C ATOM 0 HA PRO A 65 -8.983 8.994 -4.662 1.00 0.53 H new ATOM 0 HB2 PRO A 65 -11.904 9.138 -5.387 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -10.615 10.224 -5.869 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -11.697 8.483 -7.609 1.00 0.72 H new ATOM 0 HG3 PRO A 65 -10.000 8.915 -7.689 1.00 0.72 H new ATOM 0 HD2 PRO A 65 -11.256 6.386 -6.683 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -9.713 6.611 -7.481 1.00 0.61 H new ATOM 1047 N GLY A 66 -11.230 7.215 -3.207 1.00 0.35 N ATOM 1048 CA GLY A 66 -11.847 6.926 -1.934 1.00 0.32 C ATOM 1049 C GLY A 66 -10.848 6.571 -0.844 1.00 0.25 C ATOM 1050 O GLY A 66 -11.097 6.826 0.330 1.00 0.27 O ATOM 0 H GLY A 66 -11.365 6.491 -3.913 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -12.428 7.792 -1.616 1.00 0.32 H new ATOM 0 HA3 GLY A 66 -12.547 6.100 -2.057 1.00 0.32 H new ATOM 1054 N ILE A 67 -9.734 5.952 -1.217 1.00 0.28 N ATOM 1055 CA ILE A 67 -8.733 5.538 -0.241 1.00 0.23 C ATOM 1056 C ILE A 67 -7.427 6.296 -0.432 1.00 0.24 C ATOM 1057 O ILE A 67 -6.928 6.429 -1.542 1.00 0.32 O ATOM 1058 CB ILE A 67 -8.491 4.021 -0.331 1.00 0.25 C ATOM 1059 CG1 ILE A 67 -9.842 3.321 -0.228 1.00 0.32 C ATOM 1060 CG2 ILE A 67 -7.541 3.539 0.760 1.00 0.21 C ATOM 1061 CD1 ILE A 67 -9.767 1.816 -0.196 1.00 0.34 C ATOM 0 H ILE A 67 -9.502 5.726 -2.184 1.00 0.28 H new ATOM 0 HA ILE A 67 -9.115 5.775 0.752 1.00 0.23 H new ATOM 0 HB ILE A 67 -8.016 3.783 -1.283 1.00 0.25 H new ATOM 0 HG12 ILE A 67 -10.348 3.666 0.674 1.00 0.32 H new ATOM 0 HG13 ILE A 67 -10.459 3.623 -1.074 1.00 0.32 H new ATOM 0 HG21 ILE A 67 -7.394 2.463 0.665 1.00 0.21 H new ATOM 0 HG22 ILE A 67 -6.582 4.047 0.658 1.00 0.21 H new ATOM 0 HG23 ILE A 67 -7.967 3.762 1.738 1.00 0.21 H new ATOM 0 HD11 ILE A 67 -10.773 1.403 -0.122 1.00 0.34 H new ATOM 0 HD12 ILE A 67 -9.293 1.456 -1.109 1.00 0.34 H new ATOM 0 HD13 ILE A 67 -9.180 1.499 0.666 1.00 0.34 H new ATOM 1073 N LEU A 68 -6.893 6.800 0.662 1.00 0.23 N ATOM 1074 CA LEU A 68 -5.666 7.575 0.636 1.00 0.29 C ATOM 1075 C LEU A 68 -4.511 6.732 1.156 1.00 0.28 C ATOM 1076 O LEU A 68 -4.716 5.845 1.984 1.00 0.41 O ATOM 1077 CB LEU A 68 -5.819 8.827 1.506 1.00 0.37 C ATOM 1078 CG LEU A 68 -7.103 9.627 1.282 1.00 0.40 C ATOM 1079 CD1 LEU A 68 -7.151 10.824 2.217 1.00 0.50 C ATOM 1080 CD2 LEU A 68 -7.208 10.071 -0.168 1.00 0.44 C ATOM 0 H LEU A 68 -7.295 6.685 1.592 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.460 7.875 -0.391 1.00 0.29 H new ATOM 0 HB2 LEU A 68 -5.775 8.529 2.553 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -4.967 9.482 1.325 1.00 0.37 H new ATOM 0 HG LEU A 68 -7.955 8.985 1.504 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -8.071 11.383 2.045 1.00 0.50 H new ATOM 0 HD12 LEU A 68 -7.123 10.480 3.251 1.00 0.50 H new ATOM 0 HD13 LEU A 68 -6.293 11.469 2.027 1.00 0.50 H new ATOM 0 HD21 LEU A 68 -8.128 10.639 -0.309 1.00 0.44 H new ATOM 0 HD22 LEU A 68 -6.352 10.698 -0.419 1.00 0.44 H new ATOM 0 HD23 LEU A 68 -7.219 9.195 -0.817 1.00 0.44 H new ATOM 1092 N VAL A 69 -3.310 7.000 0.671 1.00 0.25 N ATOM 1093 CA VAL A 69 -2.129 6.298 1.143 1.00 0.27 C ATOM 1094 C VAL A 69 -1.186 7.255 1.852 1.00 0.19 C ATOM 1095 O VAL A 69 -0.885 8.339 1.357 1.00 0.21 O ATOM 1096 CB VAL A 69 -1.365 5.596 -0.007 1.00 0.44 C ATOM 1097 CG1 VAL A 69 0.009 5.129 0.448 1.00 1.05 C ATOM 1098 CG2 VAL A 69 -2.156 4.418 -0.532 1.00 0.81 C ATOM 0 H VAL A 69 -3.128 7.699 -0.049 1.00 0.25 H new ATOM 0 HA VAL A 69 -2.477 5.534 1.838 1.00 0.27 H new ATOM 0 HB VAL A 69 -1.235 6.325 -0.807 1.00 0.44 H new ATOM 0 HG11 VAL A 69 0.520 4.640 -0.381 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.594 5.987 0.780 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.101 4.424 1.272 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -1.602 3.939 -1.339 1.00 0.81 H new ATOM 0 HG22 VAL A 69 -2.318 3.701 0.273 1.00 0.81 H new ATOM 0 HG23 VAL A 69 -3.118 4.765 -0.908 1.00 0.81 H new ATOM 1108 N LEU A 70 -0.749 6.865 3.025 1.00 0.18 N ATOM 1109 CA LEU A 70 0.307 7.581 3.701 1.00 0.16 C ATOM 1110 C LEU A 70 1.632 6.909 3.408 1.00 0.15 C ATOM 1111 O LEU A 70 1.825 5.746 3.749 1.00 0.19 O ATOM 1112 CB LEU A 70 0.071 7.623 5.211 1.00 0.22 C ATOM 1113 CG LEU A 70 -1.157 8.411 5.664 1.00 0.36 C ATOM 1114 CD1 LEU A 70 -1.257 8.393 7.182 1.00 0.95 C ATOM 1115 CD2 LEU A 70 -1.093 9.841 5.141 1.00 0.90 C ATOM 0 H LEU A 70 -1.108 6.056 3.532 1.00 0.18 H new ATOM 0 HA LEU A 70 0.319 8.607 3.334 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -0.021 6.600 5.575 1.00 0.22 H new ATOM 0 HB3 LEU A 70 0.952 8.053 5.687 1.00 0.22 H new ATOM 0 HG LEU A 70 -2.051 7.941 5.254 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -2.135 8.957 7.495 1.00 0.95 H new ATOM 0 HD12 LEU A 70 -1.344 7.363 7.529 1.00 0.95 H new ATOM 0 HD13 LEU A 70 -0.363 8.846 7.611 1.00 0.95 H new ATOM 0 HD21 LEU A 70 -1.975 10.389 5.472 1.00 0.90 H new ATOM 0 HD22 LEU A 70 -0.197 10.329 5.525 1.00 0.90 H new ATOM 0 HD23 LEU A 70 -1.061 9.829 4.052 1.00 0.90 H new ATOM 1127 N ILE A 71 2.523 7.613 2.735 1.00 0.14 N ATOM 1128 CA ILE A 71 3.884 7.134 2.604 1.00 0.17 C ATOM 1129 C ILE A 71 4.641 7.589 3.823 1.00 0.20 C ATOM 1130 O ILE A 71 4.847 8.792 3.999 1.00 0.24 O ATOM 1131 CB ILE A 71 4.622 7.667 1.364 1.00 0.20 C ATOM 1132 CG1 ILE A 71 3.855 7.340 0.076 1.00 0.18 C ATOM 1133 CG2 ILE A 71 6.039 7.086 1.322 1.00 0.28 C ATOM 1134 CD1 ILE A 71 3.729 5.862 -0.223 1.00 0.20 C ATOM 0 H ILE A 71 2.333 8.505 2.278 1.00 0.14 H new ATOM 0 HA ILE A 71 3.836 6.050 2.500 1.00 0.17 H new ATOM 0 HB ILE A 71 4.685 8.753 1.434 1.00 0.20 H new ATOM 0 HG12 ILE A 71 2.856 7.770 0.144 1.00 0.18 H new ATOM 0 HG13 ILE A 71 4.354 7.826 -0.762 1.00 0.18 H new ATOM 0 HG21 ILE A 71 6.561 7.464 0.443 1.00 0.28 H new ATOM 0 HG22 ILE A 71 6.580 7.381 2.221 1.00 0.28 H new ATOM 0 HG23 ILE A 71 5.985 5.998 1.272 1.00 0.28 H new ATOM 0 HD11 ILE A 71 3.173 5.725 -1.150 1.00 0.20 H new ATOM 0 HD12 ILE A 71 4.722 5.426 -0.327 1.00 0.20 H new ATOM 0 HD13 ILE A 71 3.201 5.369 0.593 1.00 0.20 H new ATOM 1146 N ASN A 72 4.977 6.640 4.687 1.00 0.22 N ATOM 1147 CA ASN A 72 5.669 6.920 5.938 1.00 0.28 C ATOM 1148 C ASN A 72 4.671 7.459 6.941 1.00 0.27 C ATOM 1149 O ASN A 72 4.470 6.872 8.002 1.00 0.31 O ATOM 1150 CB ASN A 72 6.813 7.917 5.736 1.00 0.41 C ATOM 1151 CG ASN A 72 7.937 7.714 6.712 1.00 1.04 C ATOM 1152 OD1 ASN A 72 7.932 8.246 7.820 1.00 1.94 O ATOM 1153 ND2 ASN A 72 8.914 6.944 6.285 1.00 1.33 N ATOM 0 H ASN A 72 4.776 5.651 4.539 1.00 0.22 H new ATOM 0 HA ASN A 72 6.108 5.995 6.311 1.00 0.28 H new ATOM 0 HB2 ASN A 72 7.197 7.822 4.720 1.00 0.41 H new ATOM 0 HB3 ASN A 72 6.428 8.932 5.837 1.00 0.41 H new ATOM 0 HD21 ASN A 72 9.720 6.763 6.884 1.00 1.33 H new ATOM 0 HD22 ASN A 72 8.866 6.528 5.355 1.00 1.33 H new ATOM 1160 N ASP A 73 4.057 8.575 6.561 1.00 0.26 N ATOM 1161 CA ASP A 73 2.963 9.206 7.297 1.00 0.29 C ATOM 1162 C ASP A 73 2.546 10.484 6.560 1.00 0.28 C ATOM 1163 O ASP A 73 1.972 11.402 7.140 1.00 0.36 O ATOM 1164 CB ASP A 73 3.381 9.531 8.739 1.00 0.36 C ATOM 1165 CG ASP A 73 2.214 9.967 9.611 1.00 0.62 C ATOM 1166 OD1 ASP A 73 1.331 9.133 9.898 1.00 1.03 O ATOM 1167 OD2 ASP A 73 2.168 11.154 10.007 1.00 0.65 O ATOM 0 H ASP A 73 4.312 9.079 5.712 1.00 0.26 H new ATOM 0 HA ASP A 73 2.121 8.516 7.348 1.00 0.29 H new ATOM 0 HB2 ASP A 73 3.851 8.653 9.182 1.00 0.36 H new ATOM 0 HB3 ASP A 73 4.132 10.321 8.725 1.00 0.36 H new ATOM 1172 N ALA A 74 2.816 10.526 5.255 1.00 0.27 N ATOM 1173 CA ALA A 74 2.605 11.739 4.473 1.00 0.29 C ATOM 1174 C ALA A 74 1.836 11.452 3.184 1.00 0.25 C ATOM 1175 O ALA A 74 1.601 10.293 2.837 1.00 0.20 O ATOM 1176 CB ALA A 74 3.941 12.396 4.158 1.00 0.33 C ATOM 0 H ALA A 74 3.180 9.736 4.721 1.00 0.27 H new ATOM 0 HA ALA A 74 2.001 12.422 5.071 1.00 0.29 H new ATOM 0 HB1 ALA A 74 3.773 13.301 3.574 1.00 0.33 H new ATOM 0 HB2 ALA A 74 4.448 12.653 5.088 1.00 0.33 H new ATOM 0 HB3 ALA A 74 4.560 11.705 3.586 1.00 0.33 H new ATOM 1182 N ASP A 75 1.462 12.520 2.481 1.00 0.30 N ATOM 1183 CA ASP A 75 0.646 12.421 1.271 1.00 0.29 C ATOM 1184 C ASP A 75 1.374 11.701 0.142 1.00 0.23 C ATOM 1185 O ASP A 75 2.291 12.237 -0.474 1.00 0.24 O ATOM 1186 CB ASP A 75 0.211 13.807 0.796 1.00 0.36 C ATOM 1187 CG ASP A 75 -0.772 14.467 1.738 1.00 0.47 C ATOM 1188 OD1 ASP A 75 -1.982 14.167 1.649 1.00 0.61 O ATOM 1189 OD2 ASP A 75 -0.344 15.289 2.572 1.00 0.62 O ATOM 0 H ASP A 75 1.715 13.476 2.733 1.00 0.30 H new ATOM 0 HA ASP A 75 -0.233 11.833 1.534 1.00 0.29 H new ATOM 0 HB2 ASP A 75 1.090 14.443 0.691 1.00 0.36 H new ATOM 0 HB3 ASP A 75 -0.241 13.722 -0.192 1.00 0.36 H new ATOM 1194 N TRP A 76 0.924 10.485 -0.114 1.00 0.21 N ATOM 1195 CA TRP A 76 1.440 9.626 -1.172 1.00 0.17 C ATOM 1196 C TRP A 76 1.583 10.333 -2.524 1.00 0.16 C ATOM 1197 O TRP A 76 2.662 10.313 -3.118 1.00 0.14 O ATOM 1198 CB TRP A 76 0.524 8.395 -1.295 1.00 0.20 C ATOM 1199 CG TRP A 76 -0.884 8.649 -1.816 1.00 0.22 C ATOM 1200 CD1 TRP A 76 -1.496 7.940 -2.806 1.00 0.28 C ATOM 1201 CD2 TRP A 76 -1.857 9.640 -1.391 1.00 0.25 C ATOM 1202 NE1 TRP A 76 -2.751 8.433 -3.048 1.00 0.33 N ATOM 1203 CE2 TRP A 76 -3.001 9.465 -2.193 1.00 0.30 C ATOM 1204 CE3 TRP A 76 -1.878 10.658 -0.426 1.00 0.27 C ATOM 1205 CZ2 TRP A 76 -4.137 10.259 -2.063 1.00 0.34 C ATOM 1206 CZ3 TRP A 76 -3.008 11.443 -0.298 1.00 0.32 C ATOM 1207 CH2 TRP A 76 -4.122 11.239 -1.112 1.00 0.34 C ATOM 0 H TRP A 76 0.170 10.054 0.421 1.00 0.21 H new ATOM 0 HA TRP A 76 2.451 9.329 -0.893 1.00 0.17 H new ATOM 0 HB2 TRP A 76 1.007 7.674 -1.954 1.00 0.20 H new ATOM 0 HB3 TRP A 76 0.446 7.928 -0.313 1.00 0.20 H new ATOM 0 HD1 TRP A 76 -1.053 7.105 -3.328 1.00 0.28 H new ATOM 0 HE1 TRP A 76 -3.396 8.083 -3.756 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.021 10.826 0.209 1.00 0.27 H new ATOM 0 HZ2 TRP A 76 -5.001 10.105 -2.693 1.00 0.34 H new ATOM 0 HZ3 TRP A 76 -3.029 12.227 0.444 1.00 0.32 H new ATOM 0 HH2 TRP A 76 -4.990 11.869 -0.988 1.00 0.34 H new ATOM 1218 N GLU A 77 0.516 10.965 -2.990 1.00 0.19 N ATOM 1219 CA GLU A 77 0.463 11.502 -4.350 1.00 0.21 C ATOM 1220 C GLU A 77 1.577 12.504 -4.624 1.00 0.21 C ATOM 1221 O GLU A 77 2.233 12.440 -5.663 1.00 0.27 O ATOM 1222 CB GLU A 77 -0.900 12.147 -4.604 1.00 0.28 C ATOM 1223 CG GLU A 77 -1.309 13.164 -3.548 1.00 0.49 C ATOM 1224 CD GLU A 77 -2.585 13.890 -3.916 1.00 0.52 C ATOM 1225 OE1 GLU A 77 -3.673 13.295 -3.762 1.00 0.74 O ATOM 1226 OE2 GLU A 77 -2.508 15.058 -4.344 1.00 0.82 O ATOM 0 H GLU A 77 -0.332 11.121 -2.445 1.00 0.19 H new ATOM 0 HA GLU A 77 0.608 10.666 -5.034 1.00 0.21 H new ATOM 0 HB2 GLU A 77 -0.883 12.636 -5.578 1.00 0.28 H new ATOM 0 HB3 GLU A 77 -1.657 11.365 -4.653 1.00 0.28 H new ATOM 0 HG2 GLU A 77 -1.444 12.658 -2.592 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -0.506 13.889 -3.414 1.00 0.49 H new ATOM 1233 N LEU A 78 1.800 13.412 -3.688 1.00 0.24 N ATOM 1234 CA LEU A 78 2.780 14.469 -3.884 1.00 0.29 C ATOM 1235 C LEU A 78 4.155 14.040 -3.388 1.00 0.25 C ATOM 1236 O LEU A 78 5.112 14.814 -3.431 1.00 0.35 O ATOM 1237 CB LEU A 78 2.310 15.766 -3.212 1.00 0.47 C ATOM 1238 CG LEU A 78 1.919 15.659 -1.737 1.00 0.55 C ATOM 1239 CD1 LEU A 78 3.110 15.938 -0.837 1.00 1.12 C ATOM 1240 CD2 LEU A 78 0.774 16.606 -1.423 1.00 1.00 C ATOM 0 H LEU A 78 1.319 13.439 -2.789 1.00 0.24 H new ATOM 0 HA LEU A 78 2.872 14.663 -4.953 1.00 0.29 H new ATOM 0 HB2 LEU A 78 3.105 16.506 -3.303 1.00 0.47 H new ATOM 0 HB3 LEU A 78 1.453 16.148 -3.767 1.00 0.47 H new ATOM 0 HG LEU A 78 1.586 14.639 -1.545 1.00 0.55 H new ATOM 0 HD11 LEU A 78 2.805 15.855 0.206 1.00 1.12 H new ATOM 0 HD12 LEU A 78 3.899 15.215 -1.043 1.00 1.12 H new ATOM 0 HD13 LEU A 78 3.482 16.945 -1.028 1.00 1.12 H new ATOM 0 HD21 LEU A 78 0.507 16.518 -0.370 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.080 17.630 -1.635 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -0.089 16.350 -2.038 1.00 1.00 H new ATOM 1252 N LEU A 79 4.251 12.803 -2.923 1.00 0.20 N ATOM 1253 CA LEU A 79 5.525 12.255 -2.490 1.00 0.20 C ATOM 1254 C LEU A 79 6.124 11.349 -3.565 1.00 0.20 C ATOM 1255 O LEU A 79 7.346 11.271 -3.709 1.00 0.22 O ATOM 1256 CB LEU A 79 5.355 11.458 -1.193 1.00 0.22 C ATOM 1257 CG LEU A 79 5.874 12.136 0.076 1.00 0.38 C ATOM 1258 CD1 LEU A 79 5.016 13.328 0.443 1.00 0.79 C ATOM 1259 CD2 LEU A 79 5.928 11.144 1.227 1.00 0.75 C ATOM 0 H LEU A 79 3.462 12.162 -2.836 1.00 0.20 H new ATOM 0 HA LEU A 79 6.202 13.091 -2.314 1.00 0.20 H new ATOM 0 HB2 LEU A 79 4.296 11.240 -1.059 1.00 0.22 H new ATOM 0 HB3 LEU A 79 5.866 10.502 -1.306 1.00 0.22 H new ATOM 0 HG LEU A 79 6.885 12.494 -0.121 1.00 0.38 H new ATOM 0 HD11 LEU A 79 5.406 13.792 1.349 1.00 0.79 H new ATOM 0 HD12 LEU A 79 5.032 14.052 -0.372 1.00 0.79 H new ATOM 0 HD13 LEU A 79 3.991 12.999 0.616 1.00 0.79 H new ATOM 0 HD21 LEU A 79 6.300 11.644 2.121 1.00 0.75 H new ATOM 0 HD22 LEU A 79 4.928 10.754 1.418 1.00 0.75 H new ATOM 0 HD23 LEU A 79 6.595 10.322 0.968 1.00 0.75 H new ATOM 1271 N GLY A 80 5.266 10.688 -4.334 1.00 0.20 N ATOM 1272 CA GLY A 80 5.750 9.761 -5.342 1.00 0.22 C ATOM 1273 C GLY A 80 4.757 8.660 -5.650 1.00 0.19 C ATOM 1274 O GLY A 80 4.698 8.177 -6.783 1.00 0.22 O ATOM 0 H GLY A 80 4.251 10.776 -4.279 1.00 0.20 H new ATOM 0 HA2 GLY A 80 5.973 10.310 -6.257 1.00 0.22 H new ATOM 0 HA3 GLY A 80 6.685 9.316 -5.001 1.00 0.22 H new ATOM 1278 N GLU A 81 3.974 8.266 -4.643 1.00 0.17 N ATOM 1279 CA GLU A 81 2.921 7.279 -4.815 1.00 0.20 C ATOM 1280 C GLU A 81 3.419 5.919 -5.327 1.00 0.16 C ATOM 1281 O GLU A 81 4.475 5.437 -4.922 1.00 0.17 O ATOM 1282 CB GLU A 81 1.863 7.858 -5.753 1.00 0.33 C ATOM 1283 CG GLU A 81 0.642 8.312 -5.028 1.00 0.48 C ATOM 1284 CD GLU A 81 -0.508 8.632 -5.962 1.00 0.38 C ATOM 1285 OE1 GLU A 81 -0.436 9.665 -6.656 1.00 0.41 O ATOM 1286 OE2 GLU A 81 -1.497 7.866 -5.987 1.00 0.58 O ATOM 0 H GLU A 81 4.056 8.624 -3.692 1.00 0.17 H new ATOM 0 HA GLU A 81 2.498 7.074 -3.831 1.00 0.20 H new ATOM 0 HB2 GLU A 81 2.289 8.698 -6.301 1.00 0.33 H new ATOM 0 HB3 GLU A 81 1.585 7.105 -6.490 1.00 0.33 H new ATOM 0 HG2 GLU A 81 0.331 7.537 -4.328 1.00 0.48 H new ATOM 0 HG3 GLU A 81 0.883 9.196 -4.438 1.00 0.48 H new ATOM 1293 N LEU A 82 2.608 5.321 -6.204 1.00 0.16 N ATOM 1294 CA LEU A 82 2.806 3.985 -6.767 1.00 0.18 C ATOM 1295 C LEU A 82 4.272 3.645 -7.061 1.00 0.16 C ATOM 1296 O LEU A 82 4.781 2.629 -6.581 1.00 0.20 O ATOM 1297 CB LEU A 82 1.990 3.855 -8.067 1.00 0.24 C ATOM 1298 CG LEU A 82 2.370 4.798 -9.222 1.00 0.28 C ATOM 1299 CD1 LEU A 82 1.609 4.417 -10.483 1.00 1.06 C ATOM 1300 CD2 LEU A 82 2.096 6.254 -8.860 1.00 1.19 C ATOM 0 H LEU A 82 1.763 5.773 -6.554 1.00 0.16 H new ATOM 0 HA LEU A 82 2.467 3.278 -6.009 1.00 0.18 H new ATOM 0 HB2 LEU A 82 2.079 2.829 -8.423 1.00 0.24 H new ATOM 0 HB3 LEU A 82 0.940 4.019 -7.826 1.00 0.24 H new ATOM 0 HG LEU A 82 3.439 4.693 -9.406 1.00 0.28 H new ATOM 0 HD11 LEU A 82 1.886 5.091 -11.293 1.00 1.06 H new ATOM 0 HD12 LEU A 82 1.857 3.393 -10.762 1.00 1.06 H new ATOM 0 HD13 LEU A 82 0.537 4.493 -10.298 1.00 1.06 H new ATOM 0 HD21 LEU A 82 2.375 6.895 -9.696 1.00 1.19 H new ATOM 0 HD22 LEU A 82 1.036 6.382 -8.643 1.00 1.19 H new ATOM 0 HD23 LEU A 82 2.682 6.527 -7.982 1.00 1.19 H new ATOM 1312 N ASP A 83 4.960 4.487 -7.821 1.00 0.20 N ATOM 1313 CA ASP A 83 6.325 4.177 -8.223 1.00 0.24 C ATOM 1314 C ASP A 83 7.301 4.736 -7.206 1.00 0.26 C ATOM 1315 O ASP A 83 7.989 5.726 -7.454 1.00 0.56 O ATOM 1316 CB ASP A 83 6.639 4.725 -9.615 1.00 0.34 C ATOM 1317 CG ASP A 83 7.854 4.057 -10.238 1.00 1.21 C ATOM 1318 OD1 ASP A 83 8.989 4.450 -9.897 1.00 2.00 O ATOM 1319 OD2 ASP A 83 7.687 3.130 -11.062 1.00 1.72 O ATOM 0 H ASP A 83 4.602 5.377 -8.167 1.00 0.20 H new ATOM 0 HA ASP A 83 6.427 3.093 -8.265 1.00 0.24 H new ATOM 0 HB2 ASP A 83 5.775 4.580 -10.263 1.00 0.34 H new ATOM 0 HB3 ASP A 83 6.811 5.799 -9.550 1.00 0.34 H new ATOM 1324 N TYR A 84 7.298 4.134 -6.033 1.00 0.21 N ATOM 1325 CA TYR A 84 8.167 4.533 -4.965 1.00 0.19 C ATOM 1326 C TYR A 84 9.243 3.484 -4.729 1.00 0.21 C ATOM 1327 O TYR A 84 8.928 2.352 -4.374 1.00 0.33 O ATOM 1328 CB TYR A 84 7.354 4.720 -3.688 1.00 0.19 C ATOM 1329 CG TYR A 84 7.472 6.097 -3.104 1.00 0.19 C ATOM 1330 CD1 TYR A 84 8.708 6.648 -2.826 1.00 0.24 C ATOM 1331 CD2 TYR A 84 6.343 6.838 -2.831 1.00 0.19 C ATOM 1332 CE1 TYR A 84 8.817 7.911 -2.289 1.00 0.28 C ATOM 1333 CE2 TYR A 84 6.435 8.101 -2.295 1.00 0.21 C ATOM 1334 CZ TYR A 84 7.709 8.635 -2.030 1.00 0.25 C ATOM 1335 OH TYR A 84 7.753 9.902 -1.503 1.00 0.30 O ATOM 0 H TYR A 84 6.686 3.351 -5.802 1.00 0.21 H new ATOM 0 HA TYR A 84 8.647 5.472 -5.240 1.00 0.19 H new ATOM 0 HB2 TYR A 84 6.305 4.512 -3.900 1.00 0.19 H new ATOM 0 HB3 TYR A 84 7.681 3.990 -2.948 1.00 0.19 H new ATOM 0 HD1 TYR A 84 9.602 6.079 -3.033 1.00 0.24 H new ATOM 0 HD2 TYR A 84 5.370 6.420 -3.041 1.00 0.19 H new ATOM 0 HE1 TYR A 84 9.792 8.323 -2.075 1.00 0.28 H new ATOM 0 HE2 TYR A 84 5.544 8.673 -2.081 1.00 0.21 H new ATOM 0 HH TYR A 84 7.999 10.540 -2.205 1.00 0.30 H new ATOM 1345 N GLN A 85 10.504 3.869 -4.885 1.00 0.27 N ATOM 1346 CA GLN A 85 11.633 2.989 -4.553 1.00 0.28 C ATOM 1347 C GLN A 85 11.741 2.744 -3.040 1.00 0.24 C ATOM 1348 O GLN A 85 12.772 2.288 -2.553 1.00 0.28 O ATOM 1349 CB GLN A 85 12.961 3.554 -5.090 1.00 0.40 C ATOM 1350 CG GLN A 85 13.139 5.074 -4.979 1.00 0.70 C ATOM 1351 CD GLN A 85 12.731 5.646 -3.636 1.00 0.77 C ATOM 1352 OE1 GLN A 85 13.515 5.690 -2.690 1.00 1.74 O ATOM 1353 NE2 GLN A 85 11.508 6.141 -3.572 1.00 0.74 N ATOM 0 H GLN A 85 10.777 4.785 -5.240 1.00 0.27 H new ATOM 0 HA GLN A 85 11.438 2.033 -5.039 1.00 0.28 H new ATOM 0 HB2 GLN A 85 13.780 3.072 -4.556 1.00 0.40 H new ATOM 0 HB3 GLN A 85 13.055 3.273 -6.139 1.00 0.40 H new ATOM 0 HG2 GLN A 85 14.184 5.322 -5.166 1.00 0.70 H new ATOM 0 HG3 GLN A 85 12.553 5.556 -5.761 1.00 0.70 H new ATOM 0 HE21 GLN A 85 10.891 6.082 -4.382 1.00 0.74 H new ATOM 0 HE22 GLN A 85 11.181 6.582 -2.712 1.00 0.74 H new ATOM 1362 N LEU A 86 10.639 3.003 -2.339 1.00 0.22 N ATOM 1363 CA LEU A 86 10.527 2.864 -0.884 1.00 0.24 C ATOM 1364 C LEU A 86 11.559 3.654 -0.080 1.00 0.30 C ATOM 1365 O LEU A 86 12.666 3.942 -0.535 1.00 0.34 O ATOM 1366 CB LEU A 86 10.602 1.395 -0.538 1.00 0.25 C ATOM 1367 CG LEU A 86 9.523 0.580 -1.209 1.00 0.29 C ATOM 1368 CD1 LEU A 86 10.013 -0.822 -1.410 1.00 0.75 C ATOM 1369 CD2 LEU A 86 8.241 0.609 -0.390 1.00 0.86 C ATOM 0 H LEU A 86 9.775 3.324 -2.776 1.00 0.22 H new ATOM 0 HA LEU A 86 9.567 3.296 -0.600 1.00 0.24 H new ATOM 0 HB2 LEU A 86 11.578 1.007 -0.829 1.00 0.25 H new ATOM 0 HB3 LEU A 86 10.522 1.276 0.543 1.00 0.25 H new ATOM 0 HG LEU A 86 9.294 1.012 -2.183 1.00 0.29 H new ATOM 0 HD11 LEU A 86 9.236 -1.413 -1.894 1.00 0.75 H new ATOM 0 HD12 LEU A 86 10.904 -0.810 -2.038 1.00 0.75 H new ATOM 0 HD13 LEU A 86 10.256 -1.264 -0.444 1.00 0.75 H new ATOM 0 HD21 LEU A 86 7.476 0.016 -0.891 1.00 0.86 H new ATOM 0 HD22 LEU A 86 8.432 0.194 0.600 1.00 0.86 H new ATOM 0 HD23 LEU A 86 7.895 1.638 -0.291 1.00 0.86 H new ATOM 1381 N GLN A 87 11.166 4.023 1.128 1.00 0.39 N ATOM 1382 CA GLN A 87 12.063 4.685 2.049 1.00 0.51 C ATOM 1383 C GLN A 87 12.084 3.896 3.351 1.00 0.76 C ATOM 1384 O GLN A 87 11.128 3.189 3.668 1.00 1.74 O ATOM 1385 CB GLN A 87 11.613 6.133 2.274 1.00 0.46 C ATOM 1386 CG GLN A 87 11.311 6.871 0.973 1.00 0.86 C ATOM 1387 CD GLN A 87 9.823 7.089 0.731 1.00 0.65 C ATOM 1388 OE1 GLN A 87 9.278 8.139 1.068 1.00 1.18 O ATOM 1389 NE2 GLN A 87 9.153 6.097 0.154 1.00 0.48 N ATOM 0 H GLN A 87 10.225 3.872 1.491 1.00 0.39 H new ATOM 0 HA GLN A 87 13.073 4.720 1.640 1.00 0.51 H new ATOM 0 HB2 GLN A 87 10.723 6.138 2.903 1.00 0.46 H new ATOM 0 HB3 GLN A 87 12.391 6.669 2.818 1.00 0.46 H new ATOM 0 HG2 GLN A 87 11.814 7.838 0.987 1.00 0.86 H new ATOM 0 HG3 GLN A 87 11.728 6.307 0.139 1.00 0.86 H new ATOM 0 HE21 GLN A 87 9.639 5.240 -0.112 1.00 0.48 H new ATOM 0 HE22 GLN A 87 8.153 6.192 -0.023 1.00 0.48 H new ATOM 1398 N ASP A 88 13.168 3.981 4.095 1.00 0.43 N ATOM 1399 CA ASP A 88 13.305 3.175 5.298 1.00 0.40 C ATOM 1400 C ASP A 88 12.309 3.618 6.362 1.00 0.32 C ATOM 1401 O ASP A 88 12.103 4.814 6.577 1.00 0.36 O ATOM 1402 CB ASP A 88 14.736 3.234 5.848 1.00 0.56 C ATOM 1403 CG ASP A 88 15.131 4.612 6.337 1.00 1.40 C ATOM 1404 OD1 ASP A 88 15.429 5.482 5.497 1.00 2.44 O ATOM 1405 OD2 ASP A 88 15.154 4.828 7.565 1.00 1.53 O ATOM 0 H ASP A 88 13.960 4.591 3.894 1.00 0.43 H new ATOM 0 HA ASP A 88 13.089 2.141 5.029 1.00 0.40 H new ATOM 0 HB2 ASP A 88 14.833 2.523 6.668 1.00 0.56 H new ATOM 0 HB3 ASP A 88 15.431 2.919 5.070 1.00 0.56 H new ATOM 1410 N GLN A 89 11.667 2.634 6.988 1.00 0.31 N ATOM 1411 CA GLN A 89 10.710 2.868 8.072 1.00 0.34 C ATOM 1412 C GLN A 89 9.421 3.499 7.551 1.00 0.34 C ATOM 1413 O GLN A 89 8.670 4.116 8.310 1.00 0.42 O ATOM 1414 CB GLN A 89 11.318 3.744 9.175 1.00 0.40 C ATOM 1415 CG GLN A 89 12.497 3.106 9.894 1.00 0.62 C ATOM 1416 CD GLN A 89 12.150 1.759 10.498 1.00 0.77 C ATOM 1417 OE1 GLN A 89 11.680 1.675 11.632 1.00 1.56 O ATOM 1418 NE2 GLN A 89 12.393 0.692 9.751 1.00 0.71 N ATOM 0 H GLN A 89 11.795 1.648 6.759 1.00 0.31 H new ATOM 0 HA GLN A 89 10.468 1.895 8.500 1.00 0.34 H new ATOM 0 HB2 GLN A 89 11.641 4.689 8.738 1.00 0.40 H new ATOM 0 HB3 GLN A 89 10.544 3.979 9.906 1.00 0.40 H new ATOM 0 HG2 GLN A 89 13.323 2.984 9.193 1.00 0.62 H new ATOM 0 HG3 GLN A 89 12.843 3.775 10.682 1.00 0.62 H new ATOM 0 HE21 GLN A 89 12.783 0.803 8.815 1.00 0.71 H new ATOM 0 HE22 GLN A 89 12.190 -0.240 10.112 1.00 0.71 H new ATOM 1427 N ASP A 90 9.157 3.324 6.263 1.00 0.30 N ATOM 1428 CA ASP A 90 7.925 3.822 5.665 1.00 0.34 C ATOM 1429 C ASP A 90 6.726 3.117 6.264 1.00 0.32 C ATOM 1430 O ASP A 90 6.669 1.887 6.285 1.00 0.45 O ATOM 1431 CB ASP A 90 7.913 3.598 4.151 1.00 0.45 C ATOM 1432 CG ASP A 90 8.498 4.735 3.363 1.00 0.75 C ATOM 1433 OD1 ASP A 90 8.612 5.825 3.941 1.00 1.17 O ATOM 1434 OD2 ASP A 90 8.868 4.536 2.185 1.00 1.06 O ATOM 0 H ASP A 90 9.778 2.842 5.613 1.00 0.30 H new ATOM 0 HA ASP A 90 7.874 4.891 5.871 1.00 0.34 H new ATOM 0 HB2 ASP A 90 8.468 2.688 3.924 1.00 0.45 H new ATOM 0 HB3 ASP A 90 6.886 3.434 3.826 1.00 0.45 H new ATOM 1439 N SER A 91 5.782 3.879 6.782 1.00 0.23 N ATOM 1440 CA SER A 91 4.520 3.310 7.180 1.00 0.21 C ATOM 1441 C SER A 91 3.507 3.597 6.091 1.00 0.17 C ATOM 1442 O SER A 91 2.964 4.696 6.006 1.00 0.17 O ATOM 1443 CB SER A 91 4.066 3.895 8.511 1.00 0.25 C ATOM 1444 OG SER A 91 2.907 3.248 9.006 1.00 1.14 O ATOM 0 H SER A 91 5.868 4.884 6.934 1.00 0.23 H new ATOM 0 HA SER A 91 4.621 2.233 7.315 1.00 0.21 H new ATOM 0 HB2 SER A 91 4.871 3.805 9.240 1.00 0.25 H new ATOM 0 HB3 SER A 91 3.863 4.959 8.389 1.00 0.25 H new ATOM 0 HG SER A 91 2.648 3.650 9.861 1.00 1.14 H new ATOM 1450 N ILE A 92 3.308 2.624 5.226 1.00 0.17 N ATOM 1451 CA ILE A 92 2.403 2.775 4.105 1.00 0.15 C ATOM 1452 C ILE A 92 1.008 2.338 4.529 1.00 0.14 C ATOM 1453 O ILE A 92 0.746 1.149 4.716 1.00 0.17 O ATOM 1454 CB ILE A 92 2.871 1.943 2.885 1.00 0.17 C ATOM 1455 CG1 ILE A 92 4.390 2.091 2.664 1.00 0.19 C ATOM 1456 CG2 ILE A 92 2.112 2.360 1.636 1.00 0.19 C ATOM 1457 CD1 ILE A 92 4.865 3.519 2.460 1.00 0.21 C ATOM 0 H ILE A 92 3.765 1.713 5.279 1.00 0.17 H new ATOM 0 HA ILE A 92 2.391 3.823 3.806 1.00 0.15 H new ATOM 0 HB ILE A 92 2.659 0.894 3.090 1.00 0.17 H new ATOM 0 HG12 ILE A 92 4.911 1.668 3.523 1.00 0.19 H new ATOM 0 HG13 ILE A 92 4.676 1.499 1.794 1.00 0.19 H new ATOM 0 HG21 ILE A 92 2.453 1.766 0.788 1.00 0.19 H new ATOM 0 HG22 ILE A 92 1.045 2.198 1.788 1.00 0.19 H new ATOM 0 HG23 ILE A 92 2.293 3.416 1.436 1.00 0.19 H new ATOM 0 HD11 ILE A 92 5.945 3.526 2.313 1.00 0.21 H new ATOM 0 HD12 ILE A 92 4.376 3.943 1.583 1.00 0.21 H new ATOM 0 HD13 ILE A 92 4.615 4.115 3.338 1.00 0.21 H new ATOM 1469 N LEU A 93 0.123 3.302 4.697 1.00 0.13 N ATOM 1470 CA LEU A 93 -1.197 3.031 5.235 1.00 0.14 C ATOM 1471 C LEU A 93 -2.294 3.413 4.254 1.00 0.14 C ATOM 1472 O LEU A 93 -2.318 4.526 3.728 1.00 0.19 O ATOM 1473 CB LEU A 93 -1.380 3.774 6.562 1.00 0.18 C ATOM 1474 CG LEU A 93 -2.813 3.839 7.100 1.00 0.32 C ATOM 1475 CD1 LEU A 93 -3.450 2.462 7.143 1.00 0.63 C ATOM 1476 CD2 LEU A 93 -2.832 4.462 8.482 1.00 0.56 C ATOM 0 H LEU A 93 0.294 4.281 4.468 1.00 0.13 H new ATOM 0 HA LEU A 93 -1.277 1.958 5.409 1.00 0.14 H new ATOM 0 HB2 LEU A 93 -0.752 3.296 7.314 1.00 0.18 H new ATOM 0 HB3 LEU A 93 -1.012 4.793 6.440 1.00 0.18 H new ATOM 0 HG LEU A 93 -3.394 4.461 6.420 1.00 0.32 H new ATOM 0 HD11 LEU A 93 -4.466 2.543 7.529 1.00 0.63 H new ATOM 0 HD12 LEU A 93 -3.477 2.042 6.138 1.00 0.63 H new ATOM 0 HD13 LEU A 93 -2.866 1.811 7.793 1.00 0.63 H new ATOM 0 HD21 LEU A 93 -3.857 4.501 8.850 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -2.226 3.861 9.160 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -2.426 5.472 8.431 1.00 0.56 H new ATOM 1488 N PHE A 94 -3.198 2.470 4.021 1.00 0.13 N ATOM 1489 CA PHE A 94 -4.366 2.705 3.191 1.00 0.14 C ATOM 1490 C PHE A 94 -5.538 3.157 4.061 1.00 0.13 C ATOM 1491 O PHE A 94 -6.029 2.406 4.914 1.00 0.15 O ATOM 1492 CB PHE A 94 -4.737 1.427 2.426 1.00 0.18 C ATOM 1493 CG PHE A 94 -3.682 0.970 1.454 1.00 0.21 C ATOM 1494 CD1 PHE A 94 -2.486 0.445 1.909 1.00 0.27 C ATOM 1495 CD2 PHE A 94 -3.885 1.070 0.084 1.00 0.26 C ATOM 1496 CE1 PHE A 94 -1.514 0.022 1.019 1.00 0.32 C ATOM 1497 CE2 PHE A 94 -2.918 0.649 -0.807 1.00 0.31 C ATOM 1498 CZ PHE A 94 -1.737 0.129 -0.348 1.00 0.33 C ATOM 0 H PHE A 94 -3.140 1.525 4.402 1.00 0.13 H new ATOM 0 HA PHE A 94 -4.137 3.489 2.470 1.00 0.14 H new ATOM 0 HB2 PHE A 94 -4.927 0.628 3.143 1.00 0.18 H new ATOM 0 HB3 PHE A 94 -5.667 1.597 1.884 1.00 0.18 H new ATOM 0 HD1 PHE A 94 -2.308 0.364 2.971 1.00 0.27 H new ATOM 0 HD2 PHE A 94 -4.811 1.482 -0.289 1.00 0.26 H new ATOM 0 HE1 PHE A 94 -0.585 -0.390 1.386 1.00 0.32 H new ATOM 0 HE2 PHE A 94 -3.093 0.730 -1.870 1.00 0.31 H new ATOM 0 HZ PHE A 94 -0.981 -0.197 -1.047 1.00 0.33 H new ATOM 1508 N ILE A 95 -5.986 4.379 3.844 1.00 0.13 N ATOM 1509 CA ILE A 95 -7.059 4.955 4.635 1.00 0.17 C ATOM 1510 C ILE A 95 -8.244 5.306 3.761 1.00 0.18 C ATOM 1511 O ILE A 95 -8.181 6.236 2.958 1.00 0.20 O ATOM 1512 CB ILE A 95 -6.588 6.217 5.393 1.00 0.26 C ATOM 1513 CG1 ILE A 95 -5.590 5.827 6.478 1.00 0.27 C ATOM 1514 CG2 ILE A 95 -7.771 6.969 5.997 1.00 0.35 C ATOM 1515 CD1 ILE A 95 -6.182 4.913 7.525 1.00 1.16 C ATOM 0 H ILE A 95 -5.620 4.997 3.120 1.00 0.13 H new ATOM 0 HA ILE A 95 -7.360 4.203 5.364 1.00 0.17 H new ATOM 0 HB ILE A 95 -6.099 6.884 4.683 1.00 0.26 H new ATOM 0 HG12 ILE A 95 -4.734 5.335 6.016 1.00 0.27 H new ATOM 0 HG13 ILE A 95 -5.216 6.730 6.961 1.00 0.27 H new ATOM 0 HG21 ILE A 95 -7.410 7.852 6.524 1.00 0.35 H new ATOM 0 HG22 ILE A 95 -8.452 7.274 5.203 1.00 0.35 H new ATOM 0 HG23 ILE A 95 -8.297 6.319 6.696 1.00 0.35 H new ATOM 0 HD11 ILE A 95 -5.423 4.672 8.269 1.00 1.16 H new ATOM 0 HD12 ILE A 95 -7.020 5.412 8.011 1.00 1.16 H new ATOM 0 HD13 ILE A 95 -6.531 3.995 7.052 1.00 1.16 H new ATOM 1527 N SER A 96 -9.316 4.546 3.895 1.00 0.20 N ATOM 1528 CA SER A 96 -10.538 4.866 3.194 1.00 0.24 C ATOM 1529 C SER A 96 -11.153 6.114 3.808 1.00 0.28 C ATOM 1530 O SER A 96 -11.500 6.136 4.991 1.00 0.35 O ATOM 1531 CB SER A 96 -11.517 3.690 3.228 1.00 0.31 C ATOM 1532 OG SER A 96 -12.630 3.925 2.385 1.00 0.37 O ATOM 0 H SER A 96 -9.362 3.711 4.478 1.00 0.20 H new ATOM 0 HA SER A 96 -10.310 5.061 2.146 1.00 0.24 H new ATOM 0 HB2 SER A 96 -11.006 2.779 2.915 1.00 0.31 H new ATOM 0 HB3 SER A 96 -11.859 3.528 4.250 1.00 0.31 H new ATOM 0 HG SER A 96 -13.238 3.158 2.425 1.00 0.37 H new ATOM 1538 N THR A 97 -11.259 7.160 3.009 1.00 0.27 N ATOM 1539 CA THR A 97 -11.742 8.433 3.496 1.00 0.36 C ATOM 1540 C THR A 97 -13.241 8.576 3.233 1.00 0.48 C ATOM 1541 O THR A 97 -13.826 9.640 3.447 1.00 0.58 O ATOM 1542 CB THR A 97 -10.964 9.606 2.857 1.00 0.34 C ATOM 1543 OG1 THR A 97 -11.315 10.835 3.492 1.00 0.43 O ATOM 1544 CG2 THR A 97 -11.245 9.712 1.365 1.00 0.35 C ATOM 0 H THR A 97 -11.016 7.150 2.018 1.00 0.27 H new ATOM 0 HA THR A 97 -11.575 8.466 4.573 1.00 0.36 H new ATOM 0 HB THR A 97 -9.901 9.410 2.996 1.00 0.34 H new ATOM 0 HG1 THR A 97 -12.266 10.821 3.729 1.00 0.43 H new ATOM 0 HG21 THR A 97 -10.682 10.547 0.947 1.00 0.35 H new ATOM 0 HG22 THR A 97 -10.944 8.788 0.871 1.00 0.35 H new ATOM 0 HG23 THR A 97 -12.311 9.877 1.206 1.00 0.35 H new ATOM 1552 N LEU A 98 -13.854 7.488 2.777 1.00 0.53 N ATOM 1553 CA LEU A 98 -15.287 7.464 2.535 1.00 0.70 C ATOM 1554 C LEU A 98 -16.033 7.308 3.853 1.00 0.79 C ATOM 1555 O LEU A 98 -16.166 6.206 4.383 1.00 1.27 O ATOM 1556 CB LEU A 98 -15.661 6.328 1.577 1.00 0.98 C ATOM 1557 CG LEU A 98 -15.000 6.388 0.197 1.00 0.82 C ATOM 1558 CD1 LEU A 98 -15.505 5.254 -0.682 1.00 0.94 C ATOM 1559 CD2 LEU A 98 -15.259 7.733 -0.468 1.00 1.09 C ATOM 0 H LEU A 98 -13.377 6.611 2.568 1.00 0.53 H new ATOM 0 HA LEU A 98 -15.574 8.407 2.071 1.00 0.70 H new ATOM 0 HB2 LEU A 98 -15.399 5.379 2.046 1.00 0.98 H new ATOM 0 HB3 LEU A 98 -16.743 6.330 1.443 1.00 0.98 H new ATOM 0 HG LEU A 98 -13.924 6.274 0.328 1.00 0.82 H new ATOM 0 HD11 LEU A 98 -15.026 5.310 -1.659 1.00 0.94 H new ATOM 0 HD12 LEU A 98 -15.267 4.298 -0.216 1.00 0.94 H new ATOM 0 HD13 LEU A 98 -16.585 5.340 -0.802 1.00 0.94 H new ATOM 0 HD21 LEU A 98 -14.780 7.753 -1.447 1.00 1.09 H new ATOM 0 HD22 LEU A 98 -16.333 7.880 -0.586 1.00 1.09 H new ATOM 0 HD23 LEU A 98 -14.850 8.530 0.152 1.00 1.09 H new ATOM 1571 N HIS A 99 -16.488 8.427 4.390 1.00 1.41 N ATOM 1572 CA HIS A 99 -17.164 8.440 5.678 1.00 1.74 C ATOM 1573 C HIS A 99 -18.668 8.586 5.489 1.00 2.61 C ATOM 1574 O HIS A 99 -19.459 8.035 6.256 1.00 3.47 O ATOM 1575 CB HIS A 99 -16.615 9.586 6.534 1.00 2.60 C ATOM 1576 CG HIS A 99 -17.244 9.699 7.890 1.00 3.33 C ATOM 1577 ND1 HIS A 99 -16.979 8.825 8.921 1.00 4.18 N ATOM 1578 CD2 HIS A 99 -18.123 10.601 8.382 1.00 3.94 C ATOM 1579 CE1 HIS A 99 -17.668 9.184 9.986 1.00 5.03 C ATOM 1580 NE2 HIS A 99 -18.369 10.260 9.686 1.00 4.93 N ATOM 0 H HIS A 99 -16.401 9.344 3.952 1.00 1.41 H new ATOM 0 HA HIS A 99 -16.978 7.495 6.188 1.00 1.74 H new ATOM 0 HB2 HIS A 99 -15.540 9.451 6.655 1.00 2.60 H new ATOM 0 HB3 HIS A 99 -16.760 10.525 6.000 1.00 2.60 H new ATOM 0 HD2 HIS A 99 -18.552 11.435 7.847 1.00 3.94 H new ATOM 0 HE1 HIS A 99 -17.660 8.682 10.942 1.00 5.03 H new ATOM 0 HE2 HIS A 99 -18.993 10.757 10.321 1.00 4.93 H new ATOM 1589 N GLY A 100 -19.055 9.331 4.461 1.00 3.03 N ATOM 1590 CA GLY A 100 -20.461 9.541 4.189 1.00 4.27 C ATOM 1591 C GLY A 100 -21.048 8.448 3.320 1.00 4.88 C ATOM 1592 O GLY A 100 -22.235 8.133 3.417 1.00 5.56 O ATOM 0 H GLY A 100 -18.419 9.793 3.811 1.00 3.03 H new ATOM 0 HA2 GLY A 100 -21.008 9.587 5.131 1.00 4.27 H new ATOM 0 HA3 GLY A 100 -20.594 10.504 3.696 1.00 4.27 H new ATOM 1596 N GLY A 101 -20.215 7.870 2.472 1.00 5.05 N ATOM 1597 CA GLY A 101 -20.658 6.807 1.598 1.00 6.01 C ATOM 1598 C GLY A 101 -19.502 6.168 0.869 1.00 6.44 C ATOM 1599 O GLY A 101 -18.984 5.144 1.357 1.00 6.66 O ATOM 1600 OXT GLY A 101 -19.085 6.716 -0.171 1.00 6.91 O ATOM 0 H GLY A 101 -19.231 8.121 2.373 1.00 5.05 H new ATOM 0 HA2 GLY A 101 -21.183 6.051 2.181 1.00 6.01 H new ATOM 0 HA3 GLY A 101 -21.370 7.203 0.875 1.00 6.01 H new TER 1604 GLY A 101