USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 852 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 79 GLN : amide:sc= -11.4! C(o=-15!,f=-8.4!) USER MOD Set 1.2: A 93 GLN : amide:sc= -3.58! C(o=-15!,f=-8.4!) USER MOD Single : A 1 GLY N :NH3+ 168:sc= 0 (180deg=-0.122) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 12:sc= 0.0939 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : A 16 GLN : amide:sc= -2.47! K(o=-2.5!,f=-0.57) USER MOD Single : A 21 THR OG1 : rot -76:sc= 0.193! USER MOD Single : A 25 SER OG : rot -175:sc= -3.34 USER MOD Single : A 26 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.21) USER MOD Single : A 27 HIS : no HD1:sc= -0.0313 X(o=-0.031,f=-0.17) USER MOD Single : A 30 GLN : amide:sc= -0.93 K(o=-0.93,f=-2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -9.55! C(o=-9.6!,f=-7!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -7.84! C(o=-7.8!,f=-13!) USER MOD Single : A 55 GLN : amide:sc= -9.81! C(o=-9.8!,f=-8.3!) USER MOD Single : A 57 GLN : amide:sc= -1.14! K(o=-1.1!,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -148:sc= 1.16 (180deg=-0.276) USER MOD Single : A 77 SER OG : rot 180:sc= -0.187 USER MOD Single : A 82 SER OG : rot 61:sc= -2.62! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0142 USER MOD Single : A 89 GLN : amide:sc= -1.56! K(o=-1.6!,f=-0.19) USER MOD Single : A 92 ASN : amide:sc= -0.0334 K(o=-0.033,f=-1.8!) USER MOD Single : A 96 GLN : amide:sc= 1.15 K(o=1.1,f=-0.0075) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 101 GLN : amide:sc= -0.0126 K(o=-0.013,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.926 10.369 29.117 1.00 0.00 N ATOM 2 CA GLY A 1 -9.659 10.122 30.565 1.00 0.00 C ATOM 3 C GLY A 1 -9.963 8.665 30.894 1.00 0.00 C ATOM 4 O GLY A 1 -10.558 8.361 31.928 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.918 11.392 28.932 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.190 9.908 28.545 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.856 9.979 28.864 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.619 10.350 30.798 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.275 10.781 31.177 1.00 0.00 H new ATOM 10 N SER A 2 -9.551 7.771 30.004 1.00 0.00 N ATOM 11 CA SER A 2 -9.785 6.347 30.201 1.00 0.00 C ATOM 12 C SER A 2 -9.027 5.842 31.422 1.00 0.00 C ATOM 13 O SER A 2 -8.079 6.477 31.883 1.00 0.00 O ATOM 14 CB SER A 2 -9.330 5.576 28.961 1.00 0.00 C ATOM 15 OG SER A 2 -7.917 5.434 28.991 1.00 0.00 O ATOM 0 H SER A 2 -9.056 8.005 29.144 1.00 0.00 H new ATOM 0 HA SER A 2 -10.851 6.189 30.362 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.805 4.596 28.933 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.635 6.104 28.058 1.00 0.00 H new ATOM 0 HG SER A 2 -7.621 4.939 28.199 1.00 0.00 H new ATOM 21 N SER A 3 -9.453 4.696 31.943 1.00 0.00 N ATOM 22 CA SER A 3 -8.808 4.111 33.112 1.00 0.00 C ATOM 23 C SER A 3 -8.790 2.591 32.999 1.00 0.00 C ATOM 24 O SER A 3 -7.910 2.017 32.358 1.00 0.00 O ATOM 25 CB SER A 3 -9.553 4.523 34.384 1.00 0.00 C ATOM 26 OG SER A 3 -9.155 5.837 34.754 1.00 0.00 O ATOM 0 H SER A 3 -10.237 4.157 31.577 1.00 0.00 H new ATOM 0 HA SER A 3 -7.782 4.476 33.162 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.629 4.490 34.216 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.334 3.823 35.191 1.00 0.00 H new ATOM 0 HG SER A 3 -8.643 6.242 34.023 1.00 0.00 H new ATOM 32 N LEU A 4 -9.768 1.947 33.621 1.00 0.00 N ATOM 33 CA LEU A 4 -9.859 0.495 33.578 1.00 0.00 C ATOM 34 C LEU A 4 -10.511 0.048 32.272 1.00 0.00 C ATOM 35 O LEU A 4 -11.483 -0.707 32.272 1.00 0.00 O ATOM 36 CB LEU A 4 -10.672 -0.006 34.773 1.00 0.00 C ATOM 37 CG LEU A 4 -10.570 -1.527 34.864 1.00 0.00 C ATOM 38 CD1 LEU A 4 -9.105 -1.932 35.021 1.00 0.00 C ATOM 39 CD2 LEU A 4 -11.365 -2.011 36.079 1.00 0.00 C ATOM 0 H LEU A 4 -10.505 2.404 34.158 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.855 0.072 33.628 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.303 0.448 35.692 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.715 0.292 34.666 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.974 -1.976 33.957 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.033 -3.018 35.086 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.536 -1.581 34.160 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.700 -1.486 35.929 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.296 -3.097 36.150 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.956 -1.562 36.984 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.410 -1.720 35.970 1.00 0.00 H new ATOM 51 N SER A 5 -9.973 0.533 31.159 1.00 0.00 N ATOM 52 CA SER A 5 -10.510 0.191 29.847 1.00 0.00 C ATOM 53 C SER A 5 -10.125 -1.232 29.452 1.00 0.00 C ATOM 54 O SER A 5 -9.157 -1.792 29.964 1.00 0.00 O ATOM 55 CB SER A 5 -9.981 1.170 28.798 1.00 0.00 C ATOM 56 OG SER A 5 -9.200 0.460 27.848 1.00 0.00 O ATOM 0 H SER A 5 -9.170 1.161 31.138 1.00 0.00 H new ATOM 0 HA SER A 5 -11.597 0.256 29.898 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.811 1.673 28.301 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.380 1.943 29.276 1.00 0.00 H new ATOM 0 HG SER A 5 -8.860 1.083 27.173 1.00 0.00 H new ATOM 62 N PRO A 6 -10.869 -1.810 28.550 1.00 0.00 N ATOM 63 CA PRO A 6 -10.625 -3.190 28.052 1.00 0.00 C ATOM 64 C PRO A 6 -9.161 -3.416 27.679 1.00 0.00 C ATOM 65 O PRO A 6 -8.340 -2.501 27.738 1.00 0.00 O ATOM 66 CB PRO A 6 -11.517 -3.324 26.810 1.00 0.00 C ATOM 67 CG PRO A 6 -12.225 -2.015 26.631 1.00 0.00 C ATOM 68 CD PRO A 6 -12.033 -1.200 27.907 1.00 0.00 C ATOM 0 HA PRO A 6 -10.853 -3.930 28.819 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.919 -3.562 25.930 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.234 -4.135 26.937 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.823 -1.478 25.771 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.285 -2.178 26.438 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.859 -0.147 27.685 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.914 -1.249 28.548 1.00 0.00 H new ATOM 76 N GLN A 7 -8.847 -4.645 27.292 1.00 0.00 N ATOM 77 CA GLN A 7 -7.487 -4.994 26.907 1.00 0.00 C ATOM 78 C GLN A 7 -7.102 -4.276 25.615 1.00 0.00 C ATOM 79 O GLN A 7 -7.959 -3.974 24.786 1.00 0.00 O ATOM 80 CB GLN A 7 -7.391 -6.506 26.707 1.00 0.00 C ATOM 81 CG GLN A 7 -7.902 -7.211 27.965 1.00 0.00 C ATOM 82 CD GLN A 7 -7.718 -8.718 27.834 1.00 0.00 C ATOM 83 OE1 GLN A 7 -6.608 -9.226 27.995 1.00 0.00 O ATOM 84 NE2 GLN A 7 -8.749 -9.467 27.552 1.00 0.00 N ATOM 0 H GLN A 7 -9.514 -5.415 27.237 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.801 -4.684 27.696 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.980 -6.809 25.841 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -6.359 -6.794 26.508 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.363 -6.846 28.840 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.956 -6.978 28.119 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.667 -9.042 27.419 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.637 -10.477 27.464 1.00 0.00 H new ATOM 93 N ALA A 8 -5.810 -4.002 25.450 1.00 0.00 N ATOM 94 CA ALA A 8 -5.332 -3.311 24.255 1.00 0.00 C ATOM 95 C ALA A 8 -5.959 -3.914 22.998 1.00 0.00 C ATOM 96 O ALA A 8 -6.158 -5.125 22.911 1.00 0.00 O ATOM 97 CB ALA A 8 -3.807 -3.410 24.171 1.00 0.00 C ATOM 0 H ALA A 8 -5.082 -4.245 26.121 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.623 -2.263 24.322 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.457 -2.893 23.278 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.363 -2.950 25.054 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.513 -4.458 24.122 1.00 0.00 H new ATOM 103 N LEU A 9 -6.277 -3.055 22.033 1.00 0.00 N ATOM 104 CA LEU A 9 -6.895 -3.508 20.788 1.00 0.00 C ATOM 105 C LEU A 9 -5.843 -3.986 19.789 1.00 0.00 C ATOM 106 O LEU A 9 -4.667 -4.123 20.124 1.00 0.00 O ATOM 107 CB LEU A 9 -7.707 -2.367 20.167 1.00 0.00 C ATOM 108 CG LEU A 9 -6.922 -1.057 20.286 1.00 0.00 C ATOM 109 CD1 LEU A 9 -7.284 -0.136 19.119 1.00 0.00 C ATOM 110 CD2 LEU A 9 -7.268 -0.362 21.607 1.00 0.00 C ATOM 0 H LEU A 9 -6.119 -2.049 22.087 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.552 -4.346 21.023 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.916 -2.584 19.120 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.669 -2.274 20.672 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.855 -1.276 20.262 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.725 0.796 19.204 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.033 -0.625 18.178 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.352 0.078 19.142 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.707 0.569 21.686 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.336 -0.146 21.635 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.008 -1.014 22.440 1.00 0.00 H new ATOM 122 N ALA A 10 -6.284 -4.239 18.559 1.00 0.00 N ATOM 123 CA ALA A 10 -5.386 -4.703 17.504 1.00 0.00 C ATOM 124 C ALA A 10 -4.378 -3.620 17.135 1.00 0.00 C ATOM 125 O ALA A 10 -4.609 -2.434 17.374 1.00 0.00 O ATOM 126 CB ALA A 10 -6.193 -5.092 16.263 1.00 0.00 C ATOM 0 H ALA A 10 -7.256 -4.131 18.268 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.845 -5.573 17.876 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.516 -5.437 15.482 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.890 -5.891 16.518 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.749 -4.226 15.905 1.00 0.00 H new ATOM 132 N GLN A 11 -3.260 -4.039 16.550 1.00 0.00 N ATOM 133 CA GLN A 11 -2.218 -3.100 16.148 1.00 0.00 C ATOM 134 C GLN A 11 -2.514 -2.537 14.762 1.00 0.00 C ATOM 135 O GLN A 11 -3.073 -3.226 13.909 1.00 0.00 O ATOM 136 CB GLN A 11 -0.860 -3.804 16.110 1.00 0.00 C ATOM 137 CG GLN A 11 -0.628 -4.551 17.420 1.00 0.00 C ATOM 138 CD GLN A 11 -0.863 -3.618 18.601 1.00 0.00 C ATOM 139 OE1 GLN A 11 -1.748 -3.861 19.420 1.00 0.00 O ATOM 140 NE2 GLN A 11 -0.121 -2.552 18.735 1.00 0.00 N ATOM 0 H GLN A 11 -3.053 -5.016 16.345 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.195 -2.288 16.875 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.825 -4.501 15.272 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.066 -3.074 15.951 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.299 -5.407 17.484 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.390 -4.941 17.451 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.612 -2.352 18.055 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.275 -1.919 19.520 1.00 0.00 H new ATOM 149 N PRO A 12 -2.135 -1.312 14.521 1.00 0.00 N ATOM 150 CA PRO A 12 -2.350 -0.655 13.205 1.00 0.00 C ATOM 151 C PRO A 12 -1.827 -1.522 12.063 1.00 0.00 C ATOM 152 O PRO A 12 -0.958 -2.370 12.266 1.00 0.00 O ATOM 153 CB PRO A 12 -1.560 0.659 13.284 1.00 0.00 C ATOM 154 CG PRO A 12 -0.911 0.712 14.635 1.00 0.00 C ATOM 155 CD PRO A 12 -1.474 -0.427 15.482 1.00 0.00 C ATOM 0 HA PRO A 12 -3.409 -0.492 13.006 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.809 0.703 12.495 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.222 1.514 13.142 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.171 0.616 14.541 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.106 1.672 15.112 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.683 -0.948 16.021 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.177 -0.056 16.228 1.00 0.00 H new ATOM 163 N LEU A 13 -2.352 -1.305 10.860 1.00 0.00 N ATOM 164 CA LEU A 13 -1.914 -2.074 9.705 1.00 0.00 C ATOM 165 C LEU A 13 -0.513 -1.632 9.311 1.00 0.00 C ATOM 166 O LEU A 13 -0.245 -0.437 9.205 1.00 0.00 O ATOM 167 CB LEU A 13 -2.867 -1.845 8.532 1.00 0.00 C ATOM 168 CG LEU A 13 -2.636 -2.905 7.459 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.749 -2.811 6.424 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.291 -2.658 6.775 1.00 0.00 C ATOM 0 H LEU A 13 -3.073 -0.611 10.663 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.910 -3.134 9.959 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.900 -1.885 8.878 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.710 -0.851 8.113 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.633 -3.895 7.916 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.593 -3.565 5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.711 -2.981 6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.741 -1.820 5.970 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.128 -3.416 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.293 -1.670 6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.492 -2.711 7.514 1.00 0.00 H new ATOM 182 N LEU A 14 0.387 -2.589 9.106 1.00 0.00 N ATOM 183 CA LEU A 14 1.743 -2.247 8.743 1.00 0.00 C ATOM 184 C LEU A 14 1.886 -2.237 7.229 1.00 0.00 C ATOM 185 O LEU A 14 1.846 -3.280 6.574 1.00 0.00 O ATOM 186 CB LEU A 14 2.715 -3.249 9.366 1.00 0.00 C ATOM 187 CG LEU A 14 2.800 -3.029 10.886 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.791 -1.905 11.190 1.00 0.00 C ATOM 189 CD2 LEU A 14 1.425 -2.648 11.445 1.00 0.00 C ATOM 0 H LEU A 14 0.200 -3.589 9.185 1.00 0.00 H new ATOM 0 HA LEU A 14 1.977 -1.252 9.121 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.385 -4.266 9.156 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.702 -3.136 8.919 1.00 0.00 H new ATOM 0 HG LEU A 14 3.135 -3.955 11.354 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.848 -1.752 12.268 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.776 -2.175 10.809 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.456 -0.985 10.710 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.500 -2.495 12.522 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.082 -1.729 10.971 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.714 -3.449 11.241 1.00 0.00 H new ATOM 201 N LEU A 15 2.034 -1.037 6.689 1.00 0.00 N ATOM 202 CA LEU A 15 2.161 -0.854 5.256 1.00 0.00 C ATOM 203 C LEU A 15 3.500 -0.195 4.939 1.00 0.00 C ATOM 204 O LEU A 15 3.881 0.781 5.585 1.00 0.00 O ATOM 205 CB LEU A 15 1.006 0.037 4.782 1.00 0.00 C ATOM 206 CG LEU A 15 0.794 -0.100 3.276 1.00 0.00 C ATOM 207 CD1 LEU A 15 2.025 0.417 2.540 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.550 -1.571 2.930 1.00 0.00 C ATOM 0 H LEU A 15 2.069 -0.172 7.228 1.00 0.00 H new ATOM 0 HA LEU A 15 2.121 -1.816 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.091 -0.236 5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.218 1.077 5.030 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.073 0.486 2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.874 0.319 1.465 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.185 1.466 2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.898 -0.164 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.398 -1.672 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.414 -2.164 3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.336 -1.926 3.456 1.00 0.00 H new ATOM 220 N GLN A 16 4.218 -0.725 3.951 1.00 0.00 N ATOM 221 CA GLN A 16 5.509 -0.146 3.596 1.00 0.00 C ATOM 222 C GLN A 16 5.632 0.067 2.095 1.00 0.00 C ATOM 223 O GLN A 16 4.963 -0.595 1.302 1.00 0.00 O ATOM 224 CB GLN A 16 6.647 -1.043 4.079 1.00 0.00 C ATOM 225 CG GLN A 16 6.843 -0.846 5.580 1.00 0.00 C ATOM 226 CD GLN A 16 8.023 -1.679 6.066 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.381 -1.624 7.243 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.657 -2.452 5.226 1.00 0.00 N ATOM 0 H GLN A 16 3.937 -1.533 3.396 1.00 0.00 H new ATOM 0 HA GLN A 16 5.577 0.825 4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.418 -2.087 3.864 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.567 -0.802 3.546 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.018 0.208 5.797 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.938 -1.136 6.114 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.360 -2.497 4.251 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.449 -3.010 5.545 1.00 0.00 H new ATOM 237 N LEU A 17 6.494 1.005 1.720 1.00 0.00 N ATOM 238 CA LEU A 17 6.709 1.317 0.317 1.00 0.00 C ATOM 239 C LEU A 17 8.190 1.542 0.034 1.00 0.00 C ATOM 240 O LEU A 17 8.833 2.378 0.665 1.00 0.00 O ATOM 241 CB LEU A 17 5.912 2.571 -0.053 1.00 0.00 C ATOM 242 CG LEU A 17 6.040 2.848 -1.552 1.00 0.00 C ATOM 243 CD1 LEU A 17 5.119 1.907 -2.331 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.637 4.296 -1.834 1.00 0.00 C ATOM 0 H LEU A 17 7.053 1.560 2.368 1.00 0.00 H new ATOM 0 HA LEU A 17 6.370 0.475 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.863 2.437 0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.278 3.426 0.516 1.00 0.00 H new ATOM 0 HG LEU A 17 7.072 2.684 -1.863 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.213 2.107 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.400 0.873 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.087 2.069 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.727 4.497 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.605 4.454 -1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.291 4.970 -1.281 1.00 0.00 H new ATOM 256 N PHE A 18 8.726 0.804 -0.930 1.00 0.00 N ATOM 257 CA PHE A 18 10.130 0.957 -1.288 1.00 0.00 C ATOM 258 C PHE A 18 10.256 1.888 -2.478 1.00 0.00 C ATOM 259 O PHE A 18 9.654 1.657 -3.525 1.00 0.00 O ATOM 260 CB PHE A 18 10.748 -0.399 -1.626 1.00 0.00 C ATOM 261 CG PHE A 18 11.040 -1.142 -0.350 1.00 0.00 C ATOM 262 CD1 PHE A 18 9.998 -1.457 0.527 1.00 0.00 C ATOM 263 CD2 PHE A 18 12.355 -1.509 -0.041 1.00 0.00 C ATOM 264 CE1 PHE A 18 10.268 -2.140 1.715 1.00 0.00 C ATOM 265 CE2 PHE A 18 12.627 -2.194 1.148 1.00 0.00 C ATOM 266 CZ PHE A 18 11.580 -2.508 2.027 1.00 0.00 C ATOM 0 H PHE A 18 8.219 0.104 -1.471 1.00 0.00 H new ATOM 0 HA PHE A 18 10.663 1.381 -0.437 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.066 -0.977 -2.250 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.665 -0.261 -2.199 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.984 -1.172 0.286 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.159 -1.264 -0.720 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.463 -2.384 2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.640 -2.480 1.388 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.788 -3.035 2.946 1.00 0.00 H new ATOM 276 N VAL A 19 11.023 2.951 -2.303 1.00 0.00 N ATOM 277 CA VAL A 19 11.191 3.922 -3.373 1.00 0.00 C ATOM 278 C VAL A 19 12.658 4.262 -3.606 1.00 0.00 C ATOM 279 O VAL A 19 13.486 4.164 -2.699 1.00 0.00 O ATOM 280 CB VAL A 19 10.431 5.192 -3.012 1.00 0.00 C ATOM 281 CG1 VAL A 19 9.031 4.816 -2.527 1.00 0.00 C ATOM 282 CG2 VAL A 19 11.173 5.926 -1.894 1.00 0.00 C ATOM 0 H VAL A 19 11.532 3.163 -1.445 1.00 0.00 H new ATOM 0 HA VAL A 19 10.800 3.485 -4.292 1.00 0.00 H new ATOM 0 HB VAL A 19 10.358 5.838 -3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.481 5.720 -2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.502 4.285 -3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.110 4.174 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.631 6.835 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.241 5.281 -1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.176 6.186 -2.232 1.00 0.00 H new ATOM 292 N ASP A 20 12.960 4.684 -4.831 1.00 0.00 N ATOM 293 CA ASP A 20 14.316 5.071 -5.190 1.00 0.00 C ATOM 294 C ASP A 20 14.434 6.594 -5.172 1.00 0.00 C ATOM 295 O ASP A 20 15.397 7.161 -5.685 1.00 0.00 O ATOM 296 CB ASP A 20 14.679 4.528 -6.573 1.00 0.00 C ATOM 297 CG ASP A 20 13.816 5.191 -7.638 1.00 0.00 C ATOM 298 OD1 ASP A 20 13.230 6.218 -7.343 1.00 0.00 O ATOM 299 OD2 ASP A 20 13.757 4.661 -8.735 1.00 0.00 O ATOM 0 H ASP A 20 12.283 4.766 -5.589 1.00 0.00 H new ATOM 0 HA ASP A 20 15.010 4.648 -4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.733 4.714 -6.780 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.535 3.448 -6.598 1.00 0.00 H new ATOM 304 N THR A 21 13.438 7.236 -4.561 1.00 0.00 N ATOM 305 CA THR A 21 13.401 8.694 -4.445 1.00 0.00 C ATOM 306 C THR A 21 12.924 9.367 -5.734 1.00 0.00 C ATOM 307 O THR A 21 12.991 10.589 -5.856 1.00 0.00 O ATOM 308 CB THR A 21 14.787 9.223 -4.077 1.00 0.00 C ATOM 309 OG1 THR A 21 15.593 9.295 -5.245 1.00 0.00 O ATOM 310 CG2 THR A 21 15.438 8.283 -3.063 1.00 0.00 C ATOM 0 H THR A 21 12.640 6.764 -4.136 1.00 0.00 H new ATOM 0 HA THR A 21 12.685 8.937 -3.660 1.00 0.00 H new ATOM 0 HB THR A 21 14.693 10.217 -3.641 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.887 8.394 -5.496 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.427 8.660 -2.800 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.820 8.230 -2.167 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.533 7.288 -3.498 1.00 0.00 H new ATOM 318 N ARG A 22 12.422 8.581 -6.683 1.00 0.00 N ATOM 319 CA ARG A 22 11.924 9.155 -7.931 1.00 0.00 C ATOM 320 C ARG A 22 10.582 9.851 -7.687 1.00 0.00 C ATOM 321 O ARG A 22 9.759 9.364 -6.910 1.00 0.00 O ATOM 322 CB ARG A 22 11.769 8.063 -8.994 1.00 0.00 C ATOM 323 CG ARG A 22 10.798 6.985 -8.504 1.00 0.00 C ATOM 324 CD ARG A 22 10.851 5.789 -9.456 1.00 0.00 C ATOM 325 NE ARG A 22 10.330 6.168 -10.765 1.00 0.00 N ATOM 326 CZ ARG A 22 10.589 5.443 -11.850 1.00 0.00 C ATOM 327 NH1 ARG A 22 10.173 4.208 -11.926 1.00 0.00 N ATOM 328 NH2 ARG A 22 11.252 5.971 -12.841 1.00 0.00 N ATOM 0 H ARG A 22 12.349 7.566 -6.616 1.00 0.00 H new ATOM 0 HA ARG A 22 12.643 9.890 -8.292 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.402 8.499 -9.923 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.739 7.617 -9.213 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.062 6.673 -7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.785 7.385 -8.459 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.878 5.436 -9.553 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.267 4.964 -9.049 1.00 0.00 H new ATOM 0 HE ARG A 22 9.755 7.006 -10.850 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.649 3.798 -11.153 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.372 3.653 -12.758 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.571 6.938 -12.783 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.452 5.417 -13.674 1.00 0.00 H new ATOM 342 N PRO A 23 10.352 10.984 -8.311 1.00 0.00 N ATOM 343 CA PRO A 23 9.090 11.756 -8.127 1.00 0.00 C ATOM 344 C PRO A 23 7.864 10.875 -8.306 1.00 0.00 C ATOM 345 O PRO A 23 6.859 11.044 -7.615 1.00 0.00 O ATOM 346 CB PRO A 23 9.121 12.837 -9.213 1.00 0.00 C ATOM 347 CG PRO A 23 10.381 12.646 -9.998 1.00 0.00 C ATOM 348 CD PRO A 23 11.264 11.644 -9.249 1.00 0.00 C ATOM 0 HA PRO A 23 9.026 12.171 -7.121 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.249 12.755 -9.861 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.094 13.831 -8.766 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.153 12.278 -10.999 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.902 13.596 -10.118 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.719 10.927 -9.932 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.078 12.145 -8.725 1.00 0.00 H new ATOM 356 N LEU A 24 7.960 9.934 -9.236 1.00 0.00 N ATOM 357 CA LEU A 24 6.859 9.022 -9.507 1.00 0.00 C ATOM 358 C LEU A 24 6.455 8.292 -8.232 1.00 0.00 C ATOM 359 O LEU A 24 5.269 8.106 -7.959 1.00 0.00 O ATOM 360 CB LEU A 24 7.292 8.007 -10.563 1.00 0.00 C ATOM 361 CG LEU A 24 6.097 7.148 -10.963 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.355 7.823 -12.117 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.590 5.769 -11.402 1.00 0.00 C ATOM 0 H LEU A 24 8.787 9.783 -9.814 1.00 0.00 H new ATOM 0 HA LEU A 24 6.005 9.592 -9.873 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.691 8.523 -11.436 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.091 7.378 -10.172 1.00 0.00 H new ATOM 0 HG LEU A 24 5.422 7.036 -10.115 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.500 7.212 -12.406 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.008 8.807 -11.801 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.028 7.932 -12.968 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.738 5.152 -11.689 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.263 5.877 -12.253 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.121 5.293 -10.578 1.00 0.00 H new ATOM 375 N SER A 25 7.453 7.893 -7.446 1.00 0.00 N ATOM 376 CA SER A 25 7.197 7.201 -6.191 1.00 0.00 C ATOM 377 C SER A 25 6.483 8.140 -5.234 1.00 0.00 C ATOM 378 O SER A 25 5.485 7.776 -4.613 1.00 0.00 O ATOM 379 CB SER A 25 8.517 6.740 -5.573 1.00 0.00 C ATOM 380 OG SER A 25 9.225 5.944 -6.515 1.00 0.00 O ATOM 0 H SER A 25 8.440 8.037 -7.657 1.00 0.00 H new ATOM 0 HA SER A 25 6.570 6.329 -6.381 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.118 7.603 -5.285 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.326 6.167 -4.666 1.00 0.00 H new ATOM 0 HG SER A 25 10.034 5.583 -6.096 1.00 0.00 H new ATOM 386 N GLN A 26 6.982 9.367 -5.154 1.00 0.00 N ATOM 387 CA GLN A 26 6.362 10.371 -4.308 1.00 0.00 C ATOM 388 C GLN A 26 4.967 10.636 -4.843 1.00 0.00 C ATOM 389 O GLN A 26 4.024 10.890 -4.093 1.00 0.00 O ATOM 390 CB GLN A 26 7.195 11.655 -4.329 1.00 0.00 C ATOM 391 CG GLN A 26 8.537 11.399 -3.640 1.00 0.00 C ATOM 392 CD GLN A 26 8.313 11.145 -2.153 1.00 0.00 C ATOM 393 OE1 GLN A 26 7.779 12.003 -1.450 1.00 0.00 O ATOM 394 NE2 GLN A 26 8.688 10.010 -1.628 1.00 0.00 N ATOM 0 H GLN A 26 7.807 9.686 -5.661 1.00 0.00 H new ATOM 0 HA GLN A 26 6.306 10.021 -3.277 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.357 11.980 -5.357 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.660 12.458 -3.821 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.032 10.541 -4.095 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.196 12.256 -3.777 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.130 9.300 -2.211 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.539 9.834 -0.635 1.00 0.00 H new ATOM 403 N HIS A 27 4.859 10.543 -6.162 1.00 0.00 N ATOM 404 CA HIS A 27 3.596 10.736 -6.856 1.00 0.00 C ATOM 405 C HIS A 27 2.633 9.625 -6.447 1.00 0.00 C ATOM 406 O HIS A 27 1.526 9.871 -5.956 1.00 0.00 O ATOM 407 CB HIS A 27 3.869 10.642 -8.357 1.00 0.00 C ATOM 408 CG HIS A 27 2.961 11.549 -9.130 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.683 11.884 -8.710 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.156 12.207 -10.315 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.163 12.714 -9.633 1.00 0.00 C ATOM 412 NE2 HIS A 27 2.021 12.944 -10.634 1.00 0.00 N ATOM 0 H HIS A 27 5.644 10.332 -6.778 1.00 0.00 H new ATOM 0 HA HIS A 27 3.159 11.703 -6.608 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.907 10.905 -8.558 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.731 9.614 -8.691 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.055 12.161 -10.911 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.173 13.142 -9.573 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.874 13.533 -11.454 1.00 0.00 H new ATOM 420 N ILE A 28 3.090 8.390 -6.641 1.00 0.00 N ATOM 421 CA ILE A 28 2.304 7.220 -6.288 1.00 0.00 C ATOM 422 C ILE A 28 2.073 7.171 -4.782 1.00 0.00 C ATOM 423 O ILE A 28 1.029 6.709 -4.323 1.00 0.00 O ATOM 424 CB ILE A 28 3.018 5.949 -6.747 1.00 0.00 C ATOM 425 CG1 ILE A 28 3.105 5.941 -8.276 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.234 4.724 -6.273 1.00 0.00 C ATOM 427 CD1 ILE A 28 3.949 4.751 -8.737 1.00 0.00 C ATOM 0 H ILE A 28 4.004 8.178 -7.042 1.00 0.00 H new ATOM 0 HA ILE A 28 1.338 7.286 -6.789 1.00 0.00 H new ATOM 0 HB ILE A 28 4.022 5.921 -6.325 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.106 5.879 -8.707 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.548 6.872 -8.630 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.743 3.817 -6.600 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.170 4.732 -5.185 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.230 4.749 -6.696 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.009 4.748 -9.825 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.952 4.832 -8.318 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.488 3.824 -8.396 1.00 0.00 H new ATOM 439 N VAL A 29 3.047 7.659 -4.014 1.00 0.00 N ATOM 440 CA VAL A 29 2.910 7.665 -2.564 1.00 0.00 C ATOM 441 C VAL A 29 1.642 8.409 -2.179 1.00 0.00 C ATOM 442 O VAL A 29 0.869 7.948 -1.339 1.00 0.00 O ATOM 443 CB VAL A 29 4.121 8.329 -1.907 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.824 8.571 -0.425 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.335 7.406 -2.034 1.00 0.00 C ATOM 0 H VAL A 29 3.922 8.048 -4.366 1.00 0.00 H new ATOM 0 HA VAL A 29 2.852 6.634 -2.214 1.00 0.00 H new ATOM 0 HB VAL A 29 4.329 9.279 -2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.685 9.044 0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.955 9.222 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.620 7.619 0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.200 7.876 -1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.125 6.458 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.546 7.225 -3.088 1.00 0.00 H new ATOM 455 N GLN A 30 1.420 9.553 -2.818 1.00 0.00 N ATOM 456 CA GLN A 30 0.221 10.328 -2.547 1.00 0.00 C ATOM 457 C GLN A 30 -1.002 9.488 -2.873 1.00 0.00 C ATOM 458 O GLN A 30 -1.965 9.448 -2.107 1.00 0.00 O ATOM 459 CB GLN A 30 0.197 11.599 -3.394 1.00 0.00 C ATOM 460 CG GLN A 30 1.348 12.516 -2.986 1.00 0.00 C ATOM 461 CD GLN A 30 1.210 12.909 -1.519 1.00 0.00 C ATOM 462 OE1 GLN A 30 1.584 12.142 -0.632 1.00 0.00 O ATOM 463 NE2 GLN A 30 0.689 14.064 -1.214 1.00 0.00 N ATOM 0 H GLN A 30 2.045 9.957 -3.516 1.00 0.00 H new ATOM 0 HA GLN A 30 0.216 10.608 -1.494 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.280 11.344 -4.451 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.754 12.115 -3.265 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.300 12.011 -3.147 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.351 13.409 -3.611 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.381 14.696 -1.953 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.589 14.336 -0.236 1.00 0.00 H new ATOM 472 N ARG A 31 -0.946 8.797 -4.010 1.00 0.00 N ATOM 473 CA ARG A 31 -2.057 7.946 -4.409 1.00 0.00 C ATOM 474 C ARG A 31 -2.254 6.852 -3.372 1.00 0.00 C ATOM 475 O ARG A 31 -3.381 6.515 -3.017 1.00 0.00 O ATOM 476 CB ARG A 31 -1.793 7.318 -5.777 1.00 0.00 C ATOM 477 CG ARG A 31 -1.777 8.411 -6.846 1.00 0.00 C ATOM 478 CD ARG A 31 -1.718 7.765 -8.230 1.00 0.00 C ATOM 479 NE ARG A 31 -1.487 8.780 -9.252 1.00 0.00 N ATOM 480 CZ ARG A 31 -2.199 8.804 -10.374 1.00 0.00 C ATOM 481 NH1 ARG A 31 -2.021 7.882 -11.282 1.00 0.00 N ATOM 482 NH2 ARG A 31 -3.072 9.751 -10.570 1.00 0.00 N ATOM 0 H ARG A 31 -0.158 8.810 -4.658 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.958 8.556 -4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.840 6.789 -5.768 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.564 6.582 -6.006 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.668 9.032 -6.760 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.917 9.065 -6.701 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.921 7.022 -8.259 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.651 7.239 -8.434 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.765 9.485 -9.103 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.335 7.143 -11.130 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.568 7.901 -12.143 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.209 10.473 -9.863 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.619 9.770 -11.431 1.00 0.00 H new ATOM 496 N VAL A 32 -1.144 6.321 -2.868 1.00 0.00 N ATOM 497 CA VAL A 32 -1.217 5.285 -1.849 1.00 0.00 C ATOM 498 C VAL A 32 -1.861 5.852 -0.589 1.00 0.00 C ATOM 499 O VAL A 32 -2.841 5.310 -0.083 1.00 0.00 O ATOM 500 CB VAL A 32 0.186 4.764 -1.526 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.153 4.000 -0.202 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.649 3.823 -2.642 1.00 0.00 C ATOM 0 H VAL A 32 -0.199 6.587 -3.144 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.821 4.459 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 32 0.876 5.604 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.151 3.629 0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.179 4.666 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.537 3.160 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.648 3.451 -2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.042 2.983 -2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.671 4.364 -3.588 1.00 0.00 H new ATOM 512 N LYS A 33 -1.312 6.959 -0.101 1.00 0.00 N ATOM 513 CA LYS A 33 -1.848 7.610 1.087 1.00 0.00 C ATOM 514 C LYS A 33 -3.282 8.071 0.853 1.00 0.00 C ATOM 515 O LYS A 33 -4.137 7.950 1.731 1.00 0.00 O ATOM 516 CB LYS A 33 -0.987 8.815 1.447 1.00 0.00 C ATOM 517 CG LYS A 33 0.392 8.342 1.906 1.00 0.00 C ATOM 518 CD LYS A 33 1.181 9.539 2.438 1.00 0.00 C ATOM 519 CE LYS A 33 2.610 9.108 2.768 1.00 0.00 C ATOM 520 NZ LYS A 33 2.719 8.830 4.226 1.00 0.00 N ATOM 0 H LYS A 33 -0.500 7.422 -0.508 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.839 6.889 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.888 9.474 0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.466 9.393 2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.290 7.584 2.683 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.926 7.879 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.194 10.337 1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.697 9.939 3.329 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.874 8.218 2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.313 9.891 2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.691 8.537 4.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.483 9.690 4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.059 8.069 4.485 1.00 0.00 H new ATOM 534 N ASN A 34 -3.530 8.617 -0.333 1.00 0.00 N ATOM 535 CA ASN A 34 -4.853 9.117 -0.681 1.00 0.00 C ATOM 536 C ASN A 34 -5.896 8.001 -0.668 1.00 0.00 C ATOM 537 O ASN A 34 -6.977 8.163 -0.102 1.00 0.00 O ATOM 538 CB ASN A 34 -4.797 9.762 -2.066 1.00 0.00 C ATOM 539 CG ASN A 34 -3.876 10.979 -2.035 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.904 11.753 -1.079 1.00 0.00 O ATOM 541 ND2 ASN A 34 -3.053 11.195 -3.028 1.00 0.00 N ATOM 0 H ASN A 34 -2.832 8.724 -1.069 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.150 9.855 0.064 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.436 9.040 -2.799 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.798 10.060 -2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.434 12.005 -3.010 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.030 10.553 -3.820 1.00 0.00 H new ATOM 548 N ILE A 35 -5.569 6.868 -1.280 1.00 0.00 N ATOM 549 CA ILE A 35 -6.497 5.739 -1.311 1.00 0.00 C ATOM 550 C ILE A 35 -6.661 5.154 0.082 1.00 0.00 C ATOM 551 O ILE A 35 -7.778 4.991 0.574 1.00 0.00 O ATOM 552 CB ILE A 35 -5.975 4.658 -2.249 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.928 5.201 -3.679 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.901 3.442 -2.195 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.149 4.230 -4.567 1.00 0.00 C ATOM 0 H ILE A 35 -4.681 6.706 -1.756 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.463 6.097 -1.669 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.972 4.364 -1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.940 5.331 -4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.454 6.182 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.526 2.669 -2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.933 3.054 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.905 3.735 -2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.115 4.616 -5.586 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.134 4.123 -4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.642 3.258 -4.564 1.00 0.00 H new ATOM 567 N LEU A 36 -5.536 4.853 0.721 1.00 0.00 N ATOM 568 CA LEU A 36 -5.563 4.302 2.065 1.00 0.00 C ATOM 569 C LEU A 36 -6.257 5.283 2.997 1.00 0.00 C ATOM 570 O LEU A 36 -6.974 4.892 3.913 1.00 0.00 O ATOM 571 CB LEU A 36 -4.137 4.048 2.557 1.00 0.00 C ATOM 572 CG LEU A 36 -3.464 3.003 1.666 1.00 0.00 C ATOM 573 CD1 LEU A 36 -2.023 2.793 2.131 1.00 0.00 C ATOM 574 CD2 LEU A 36 -4.228 1.682 1.771 1.00 0.00 C ATOM 0 H LEU A 36 -4.602 4.981 0.331 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.107 3.358 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.566 4.976 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.155 3.702 3.591 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.467 3.347 0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.541 2.048 1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.478 3.735 2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.021 2.446 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.751 0.934 1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.221 1.339 2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.258 1.830 1.445 1.00 0.00 H new ATOM 586 N ALA A 37 -6.044 6.563 2.738 1.00 0.00 N ATOM 587 CA ALA A 37 -6.660 7.608 3.535 1.00 0.00 C ATOM 588 C ALA A 37 -8.162 7.625 3.299 1.00 0.00 C ATOM 589 O ALA A 37 -8.928 8.101 4.137 1.00 0.00 O ATOM 590 CB ALA A 37 -6.065 8.968 3.162 1.00 0.00 C ATOM 0 H ALA A 37 -5.449 6.902 1.982 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.466 7.408 4.589 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.532 9.747 3.764 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.991 8.959 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.247 9.168 2.106 1.00 0.00 H new ATOM 596 N ALA A 38 -8.579 7.113 2.143 1.00 0.00 N ATOM 597 CA ALA A 38 -9.995 7.093 1.810 1.00 0.00 C ATOM 598 C ALA A 38 -10.691 5.874 2.410 1.00 0.00 C ATOM 599 O ALA A 38 -11.920 5.802 2.432 1.00 0.00 O ATOM 600 CB ALA A 38 -10.181 7.092 0.291 1.00 0.00 C ATOM 0 H ALA A 38 -7.965 6.713 1.433 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.447 7.990 2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.245 7.077 0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.728 7.989 -0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.703 6.209 -0.134 1.00 0.00 H new ATOM 606 N VAL A 39 -9.905 4.913 2.887 1.00 0.00 N ATOM 607 CA VAL A 39 -10.474 3.701 3.469 1.00 0.00 C ATOM 608 C VAL A 39 -10.805 3.898 4.947 1.00 0.00 C ATOM 609 O VAL A 39 -11.560 3.123 5.530 1.00 0.00 O ATOM 610 CB VAL A 39 -9.496 2.533 3.302 1.00 0.00 C ATOM 611 CG1 VAL A 39 -8.396 2.610 4.362 1.00 0.00 C ATOM 612 CG2 VAL A 39 -10.256 1.212 3.446 1.00 0.00 C ATOM 0 H VAL A 39 -8.886 4.948 2.883 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.402 3.476 2.943 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.038 2.589 2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.707 1.775 4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.852 3.549 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.843 2.561 5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.563 0.379 3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.717 1.163 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.030 1.152 2.680 1.00 0.00 H new ATOM 622 N GLU A 40 -10.240 4.940 5.546 1.00 0.00 N ATOM 623 CA GLU A 40 -10.491 5.225 6.954 1.00 0.00 C ATOM 624 C GLU A 40 -10.536 3.932 7.763 1.00 0.00 C ATOM 625 O GLU A 40 -9.537 3.220 7.870 1.00 0.00 O ATOM 626 CB GLU A 40 -11.821 5.965 7.102 1.00 0.00 C ATOM 627 CG GLU A 40 -11.790 7.246 6.265 1.00 0.00 C ATOM 628 CD GLU A 40 -10.712 8.191 6.788 1.00 0.00 C ATOM 629 OE1 GLU A 40 -10.282 8.001 7.912 1.00 0.00 O ATOM 630 OE2 GLU A 40 -10.334 9.091 6.055 1.00 0.00 O ATOM 0 H GLU A 40 -9.611 5.596 5.084 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.680 5.848 7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.642 5.326 6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.000 6.207 8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.595 7.002 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.763 7.736 6.301 1.00 0.00 H new ATOM 637 N ALA A 41 -11.703 3.637 8.330 1.00 0.00 N ATOM 638 CA ALA A 41 -11.881 2.428 9.130 1.00 0.00 C ATOM 639 C ALA A 41 -11.397 2.651 10.561 1.00 0.00 C ATOM 640 O ALA A 41 -10.621 3.569 10.828 1.00 0.00 O ATOM 641 CB ALA A 41 -11.114 1.262 8.502 1.00 0.00 C ATOM 0 H ALA A 41 -12.538 4.217 8.251 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.944 2.188 9.154 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.254 0.366 9.107 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.488 1.081 7.494 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.053 1.507 8.457 1.00 0.00 H new ATOM 647 N THR A 42 -11.861 1.805 11.479 1.00 0.00 N ATOM 648 CA THR A 42 -11.468 1.920 12.880 1.00 0.00 C ATOM 649 C THR A 42 -10.018 1.483 13.069 1.00 0.00 C ATOM 650 O THR A 42 -9.471 1.577 14.168 1.00 0.00 O ATOM 651 CB THR A 42 -12.385 1.061 13.757 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.285 -0.300 13.361 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.831 1.532 13.606 1.00 0.00 C ATOM 0 H THR A 42 -12.504 1.039 11.279 1.00 0.00 H new ATOM 0 HA THR A 42 -11.561 2.964 13.177 1.00 0.00 H new ATOM 0 HB THR A 42 -12.081 1.159 14.799 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.871 -0.848 13.924 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.480 0.919 14.231 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.908 2.574 13.915 1.00 0.00 H new ATOM 0 HG23 THR A 42 -14.137 1.439 12.564 1.00 0.00 H new ATOM 661 N VAL A 43 -9.400 1.006 11.993 1.00 0.00 N ATOM 662 CA VAL A 43 -8.019 0.555 12.050 1.00 0.00 C ATOM 663 C VAL A 43 -7.156 1.316 11.046 1.00 0.00 C ATOM 664 O VAL A 43 -6.976 0.870 9.913 1.00 0.00 O ATOM 665 CB VAL A 43 -7.953 -0.936 11.733 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.305 -1.750 12.981 1.00 0.00 C ATOM 667 CG2 VAL A 43 -8.947 -1.260 10.618 1.00 0.00 C ATOM 0 H VAL A 43 -9.835 0.923 11.074 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.640 0.742 13.055 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.943 -1.191 11.412 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.256 -2.814 12.747 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.597 -1.520 13.777 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.313 -1.497 13.308 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.902 -2.325 10.389 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.955 -1.000 10.942 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.694 -0.686 9.727 1.00 0.00 H new ATOM 677 N PRO A 44 -6.617 2.441 11.436 1.00 0.00 N ATOM 678 CA PRO A 44 -5.751 3.254 10.540 1.00 0.00 C ATOM 679 C PRO A 44 -4.524 2.466 10.083 1.00 0.00 C ATOM 680 O PRO A 44 -4.052 1.577 10.792 1.00 0.00 O ATOM 681 CB PRO A 44 -5.349 4.482 11.368 1.00 0.00 C ATOM 682 CG PRO A 44 -6.004 4.359 12.712 1.00 0.00 C ATOM 683 CD PRO A 44 -6.777 3.040 12.766 1.00 0.00 C ATOM 0 HA PRO A 44 -6.274 3.538 9.627 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.265 4.534 11.474 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.665 5.399 10.871 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.253 4.389 13.502 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.678 5.199 12.881 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.382 2.385 13.542 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.829 3.210 12.997 1.00 0.00 H new ATOM 691 N ILE A 45 -4.016 2.787 8.894 1.00 0.00 N ATOM 692 CA ILE A 45 -2.850 2.085 8.359 1.00 0.00 C ATOM 693 C ILE A 45 -1.581 2.903 8.560 1.00 0.00 C ATOM 694 O ILE A 45 -1.596 4.128 8.434 1.00 0.00 O ATOM 695 CB ILE A 45 -3.025 1.814 6.864 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.388 1.164 6.614 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.912 0.873 6.385 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.347 2.204 6.034 1.00 0.00 C ATOM 0 H ILE A 45 -4.388 3.519 8.289 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.762 1.142 8.898 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.970 2.754 6.316 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.283 0.326 5.925 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.788 0.763 7.545 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.034 0.678 5.320 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.942 1.338 6.560 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.968 -0.067 6.935 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.319 1.743 5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.460 3.028 6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.947 2.584 5.094 1.00 0.00 H new ATOM 710 N SER A 46 -0.482 2.218 8.858 1.00 0.00 N ATOM 711 CA SER A 46 0.792 2.894 9.054 1.00 0.00 C ATOM 712 C SER A 46 1.641 2.748 7.799 1.00 0.00 C ATOM 713 O SER A 46 1.963 1.633 7.386 1.00 0.00 O ATOM 714 CB SER A 46 1.530 2.286 10.247 1.00 0.00 C ATOM 715 OG SER A 46 2.651 3.098 10.570 1.00 0.00 O ATOM 0 H SER A 46 -0.449 1.204 8.968 1.00 0.00 H new ATOM 0 HA SER A 46 0.610 3.950 9.251 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.861 2.213 11.104 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.856 1.273 10.010 1.00 0.00 H new ATOM 0 HG SER A 46 3.125 2.712 11.336 1.00 0.00 H new ATOM 721 N LEU A 47 1.990 3.871 7.185 1.00 0.00 N ATOM 722 CA LEU A 47 2.788 3.829 5.967 1.00 0.00 C ATOM 723 C LEU A 47 4.240 4.200 6.247 1.00 0.00 C ATOM 724 O LEU A 47 4.538 5.326 6.650 1.00 0.00 O ATOM 725 CB LEU A 47 2.212 4.797 4.933 1.00 0.00 C ATOM 726 CG LEU A 47 2.318 4.183 3.534 1.00 0.00 C ATOM 727 CD1 LEU A 47 1.814 5.189 2.501 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.775 3.830 3.230 1.00 0.00 C ATOM 0 H LEU A 47 1.738 4.807 7.503 1.00 0.00 H new ATOM 0 HA LEU A 47 2.757 2.810 5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.170 5.016 5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.752 5.743 4.967 1.00 0.00 H new ATOM 0 HG LEU A 47 1.713 3.277 3.492 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.888 4.755 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.774 5.437 2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.420 6.094 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.843 3.394 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.385 4.732 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.137 3.112 3.966 1.00 0.00 H new ATOM 740 N GLN A 48 5.139 3.255 6.004 1.00 0.00 N ATOM 741 CA GLN A 48 6.557 3.489 6.205 1.00 0.00 C ATOM 742 C GLN A 48 7.311 3.205 4.908 1.00 0.00 C ATOM 743 O GLN A 48 7.300 2.085 4.403 1.00 0.00 O ATOM 744 CB GLN A 48 7.077 2.587 7.324 1.00 0.00 C ATOM 745 CG GLN A 48 6.867 3.271 8.675 1.00 0.00 C ATOM 746 CD GLN A 48 7.535 2.459 9.781 1.00 0.00 C ATOM 747 OE1 GLN A 48 7.064 1.374 10.128 1.00 0.00 O ATOM 748 NE2 GLN A 48 8.610 2.919 10.357 1.00 0.00 N ATOM 0 H GLN A 48 4.908 2.320 5.667 1.00 0.00 H new ATOM 0 HA GLN A 48 6.716 4.529 6.489 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.556 1.630 7.305 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.136 2.376 7.172 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.283 4.278 8.650 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.801 3.371 8.879 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.999 3.817 10.069 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.063 2.381 11.096 1.00 0.00 H new ATOM 757 N VAL A 49 7.959 4.228 4.370 1.00 0.00 N ATOM 758 CA VAL A 49 8.700 4.071 3.122 1.00 0.00 C ATOM 759 C VAL A 49 10.150 3.724 3.400 1.00 0.00 C ATOM 760 O VAL A 49 10.769 4.273 4.311 1.00 0.00 O ATOM 761 CB VAL A 49 8.655 5.360 2.302 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.281 5.114 0.927 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.202 5.811 2.132 1.00 0.00 C ATOM 0 H VAL A 49 7.989 5.166 4.770 1.00 0.00 H new ATOM 0 HA VAL A 49 8.231 3.263 2.561 1.00 0.00 H new ATOM 0 HB VAL A 49 9.215 6.138 2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.249 6.034 0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.317 4.799 1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.724 4.334 0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.172 6.730 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.638 5.034 1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.760 5.990 3.112 1.00 0.00 H new ATOM 773 N ILE A 50 10.690 2.817 2.602 1.00 0.00 N ATOM 774 CA ILE A 50 12.068 2.417 2.768 1.00 0.00 C ATOM 775 C ILE A 50 12.851 2.790 1.524 1.00 0.00 C ATOM 776 O ILE A 50 12.445 2.477 0.404 1.00 0.00 O ATOM 777 CB ILE A 50 12.146 0.914 3.018 1.00 0.00 C ATOM 778 CG1 ILE A 50 11.167 0.558 4.143 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.571 0.554 3.433 1.00 0.00 C ATOM 780 CD1 ILE A 50 11.308 -0.917 4.537 1.00 0.00 C ATOM 0 H ILE A 50 10.196 2.350 1.841 1.00 0.00 H new ATOM 0 HA ILE A 50 12.498 2.932 3.627 1.00 0.00 H new ATOM 0 HB ILE A 50 11.885 0.360 2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.356 1.191 5.010 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.145 0.757 3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.637 -0.519 3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.263 0.831 2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.832 1.093 4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.605 -1.149 5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 50 11.095 -1.546 3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.325 -1.106 4.882 1.00 0.00 H new ATOM 792 N ASN A 51 13.964 3.475 1.722 1.00 0.00 N ATOM 793 CA ASN A 51 14.774 3.900 0.600 1.00 0.00 C ATOM 794 C ASN A 51 15.698 2.769 0.161 1.00 0.00 C ATOM 795 O ASN A 51 16.645 2.420 0.864 1.00 0.00 O ATOM 796 CB ASN A 51 15.605 5.117 0.999 1.00 0.00 C ATOM 797 CG ASN A 51 16.019 5.894 -0.242 1.00 0.00 C ATOM 798 OD1 ASN A 51 15.229 6.666 -0.782 1.00 0.00 O ATOM 799 ND2 ASN A 51 17.219 5.737 -0.730 1.00 0.00 N ATOM 0 H ASN A 51 14.322 3.745 2.638 1.00 0.00 H new ATOM 0 HA ASN A 51 14.119 4.164 -0.230 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.028 5.759 1.665 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.490 4.799 1.551 1.00 0.00 H new ATOM 0 HD21 ASN A 51 17.503 6.255 -1.561 1.00 0.00 H new ATOM 0 HD22 ASN A 51 17.873 5.096 -0.280 1.00 0.00 H new ATOM 806 N VAL A 52 15.410 2.194 -1.002 1.00 0.00 N ATOM 807 CA VAL A 52 16.214 1.093 -1.522 1.00 0.00 C ATOM 808 C VAL A 52 17.674 1.502 -1.679 1.00 0.00 C ATOM 809 O VAL A 52 18.569 0.659 -1.643 1.00 0.00 O ATOM 810 CB VAL A 52 15.661 0.642 -2.873 1.00 0.00 C ATOM 811 CG1 VAL A 52 14.203 0.216 -2.702 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.741 1.802 -3.871 1.00 0.00 C ATOM 0 H VAL A 52 14.631 2.470 -1.600 1.00 0.00 H new ATOM 0 HA VAL A 52 16.163 0.270 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 52 16.247 -0.198 -3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.803 -0.107 -3.663 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.146 -0.607 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.619 1.058 -2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.347 1.481 -4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.153 2.642 -3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.780 2.110 -3.989 1.00 0.00 H new ATOM 822 N ALA A 53 17.911 2.796 -1.846 1.00 0.00 N ATOM 823 CA ALA A 53 19.269 3.288 -1.998 1.00 0.00 C ATOM 824 C ALA A 53 20.003 3.181 -0.673 1.00 0.00 C ATOM 825 O ALA A 53 21.222 3.330 -0.612 1.00 0.00 O ATOM 826 CB ALA A 53 19.257 4.748 -2.457 1.00 0.00 C ATOM 0 H ALA A 53 17.188 3.515 -1.879 1.00 0.00 H new ATOM 0 HA ALA A 53 19.778 2.684 -2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.282 5.103 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.742 4.824 -3.415 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.739 5.358 -1.717 1.00 0.00 H new ATOM 832 N ASP A 54 19.247 2.929 0.390 1.00 0.00 N ATOM 833 CA ASP A 54 19.834 2.812 1.710 1.00 0.00 C ATOM 834 C ASP A 54 19.980 1.352 2.121 1.00 0.00 C ATOM 835 O ASP A 54 20.958 0.979 2.769 1.00 0.00 O ATOM 836 CB ASP A 54 18.964 3.544 2.730 1.00 0.00 C ATOM 837 CG ASP A 54 18.964 5.039 2.435 1.00 0.00 C ATOM 838 OD1 ASP A 54 19.854 5.485 1.728 1.00 0.00 O ATOM 839 OD2 ASP A 54 18.076 5.719 2.923 1.00 0.00 O ATOM 0 H ASP A 54 18.235 2.803 0.360 1.00 0.00 H new ATOM 0 HA ASP A 54 20.826 3.262 1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.945 3.158 2.696 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.339 3.363 3.737 1.00 0.00 H new ATOM 844 N GLN A 55 18.997 0.530 1.759 1.00 0.00 N ATOM 845 CA GLN A 55 19.038 -0.876 2.123 1.00 0.00 C ATOM 846 C GLN A 55 18.580 -1.764 0.973 1.00 0.00 C ATOM 847 O GLN A 55 17.498 -2.347 1.018 1.00 0.00 O ATOM 848 CB GLN A 55 18.143 -1.105 3.333 1.00 0.00 C ATOM 849 CG GLN A 55 16.708 -0.706 2.987 1.00 0.00 C ATOM 850 CD GLN A 55 16.084 0.029 4.165 1.00 0.00 C ATOM 851 OE1 GLN A 55 16.147 1.256 4.237 1.00 0.00 O ATOM 852 NE2 GLN A 55 15.476 -0.652 5.095 1.00 0.00 N ATOM 0 H GLN A 55 18.176 0.811 1.222 1.00 0.00 H new ATOM 0 HA GLN A 55 20.069 -1.140 2.360 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.179 -2.153 3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.501 -0.519 4.180 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.700 -0.069 2.103 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.121 -1.593 2.746 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.426 -1.669 5.032 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.050 -0.168 5.886 1.00 0.00 H new ATOM 861 N PRO A 56 19.389 -1.885 -0.041 1.00 0.00 N ATOM 862 CA PRO A 56 19.078 -2.731 -1.225 1.00 0.00 C ATOM 863 C PRO A 56 19.212 -4.219 -0.906 1.00 0.00 C ATOM 864 O PRO A 56 18.832 -5.080 -1.703 1.00 0.00 O ATOM 865 CB PRO A 56 20.104 -2.307 -2.284 1.00 0.00 C ATOM 866 CG PRO A 56 20.954 -1.231 -1.675 1.00 0.00 C ATOM 867 CD PRO A 56 20.690 -1.226 -0.171 1.00 0.00 C ATOM 0 HA PRO A 56 18.050 -2.593 -1.560 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.717 -3.156 -2.587 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.603 -1.940 -3.180 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.009 -1.416 -1.877 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.712 -0.261 -2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.467 -1.764 0.373 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.666 -0.212 0.227 1.00 0.00 H new ATOM 875 N GLN A 57 19.768 -4.510 0.265 1.00 0.00 N ATOM 876 CA GLN A 57 19.976 -5.891 0.687 1.00 0.00 C ATOM 877 C GLN A 57 18.659 -6.588 1.006 1.00 0.00 C ATOM 878 O GLN A 57 18.431 -7.721 0.577 1.00 0.00 O ATOM 879 CB GLN A 57 20.870 -5.909 1.929 1.00 0.00 C ATOM 880 CG GLN A 57 20.857 -7.303 2.564 1.00 0.00 C ATOM 881 CD GLN A 57 21.705 -7.302 3.831 1.00 0.00 C ATOM 882 OE1 GLN A 57 21.737 -8.296 4.557 1.00 0.00 O ATOM 883 NE2 GLN A 57 22.399 -6.239 4.142 1.00 0.00 N ATOM 0 H GLN A 57 20.082 -3.810 0.938 1.00 0.00 H new ATOM 0 HA GLN A 57 20.451 -6.427 -0.135 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.889 -5.634 1.658 1.00 0.00 H new ATOM 0 HB3 GLN A 57 20.521 -5.169 2.649 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.834 -7.595 2.801 1.00 0.00 H new ATOM 0 HG3 GLN A 57 21.243 -8.038 1.858 1.00 0.00 H new ATOM 0 HE21 GLN A 57 22.371 -5.417 3.539 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.969 -6.232 4.988 1.00 0.00 H new ATOM 892 N LEU A 58 17.795 -5.925 1.762 1.00 0.00 N ATOM 893 CA LEU A 58 16.527 -6.527 2.117 1.00 0.00 C ATOM 894 C LEU A 58 15.622 -6.582 0.891 1.00 0.00 C ATOM 895 O LEU A 58 14.759 -7.454 0.782 1.00 0.00 O ATOM 896 CB LEU A 58 15.875 -5.747 3.268 1.00 0.00 C ATOM 897 CG LEU A 58 14.976 -4.641 2.725 1.00 0.00 C ATOM 898 CD1 LEU A 58 13.704 -5.260 2.148 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.605 -3.691 3.867 1.00 0.00 C ATOM 0 H LEU A 58 17.948 -4.987 2.133 1.00 0.00 H new ATOM 0 HA LEU A 58 16.691 -7.548 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 58 15.291 -6.426 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.647 -5.316 3.905 1.00 0.00 H new ATOM 0 HG LEU A 58 15.500 -4.091 1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 58 13.060 -4.471 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.966 -5.945 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.177 -5.806 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.962 -2.898 3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 58 14.077 -4.244 4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.511 -3.254 4.286 1.00 0.00 H new ATOM 911 N VAL A 59 15.844 -5.662 -0.046 1.00 0.00 N ATOM 912 CA VAL A 59 15.056 -5.641 -1.273 1.00 0.00 C ATOM 913 C VAL A 59 15.286 -6.952 -2.018 1.00 0.00 C ATOM 914 O VAL A 59 14.350 -7.558 -2.540 1.00 0.00 O ATOM 915 CB VAL A 59 15.483 -4.462 -2.150 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.506 -4.316 -3.315 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.479 -3.174 -1.323 1.00 0.00 C ATOM 0 H VAL A 59 16.553 -4.932 0.020 1.00 0.00 H new ATOM 0 HA VAL A 59 13.999 -5.528 -1.033 1.00 0.00 H new ATOM 0 HB VAL A 59 16.487 -4.644 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.809 -3.476 -3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.508 -5.230 -3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.503 -4.137 -2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.784 -2.337 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.476 -2.992 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 59 16.175 -3.274 -0.490 1.00 0.00 H new ATOM 927 N GLU A 60 16.544 -7.394 -2.038 1.00 0.00 N ATOM 928 CA GLU A 60 16.896 -8.648 -2.696 1.00 0.00 C ATOM 929 C GLU A 60 16.305 -9.832 -1.936 1.00 0.00 C ATOM 930 O GLU A 60 15.906 -10.829 -2.537 1.00 0.00 O ATOM 931 CB GLU A 60 18.417 -8.795 -2.760 1.00 0.00 C ATOM 932 CG GLU A 60 18.999 -7.704 -3.660 1.00 0.00 C ATOM 933 CD GLU A 60 20.511 -7.869 -3.772 1.00 0.00 C ATOM 934 OE1 GLU A 60 21.060 -8.648 -3.009 1.00 0.00 O ATOM 935 OE2 GLU A 60 21.097 -7.213 -4.616 1.00 0.00 O ATOM 0 H GLU A 60 17.329 -6.905 -1.609 1.00 0.00 H new ATOM 0 HA GLU A 60 16.488 -8.634 -3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.842 -8.721 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.682 -9.779 -3.146 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.545 -7.757 -4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.762 -6.721 -3.253 1.00 0.00 H new ATOM 942 N TYR A 61 16.246 -9.716 -0.612 1.00 0.00 N ATOM 943 CA TYR A 61 15.692 -10.789 0.206 1.00 0.00 C ATOM 944 C TYR A 61 14.294 -11.143 -0.276 1.00 0.00 C ATOM 945 O TYR A 61 13.932 -12.316 -0.373 1.00 0.00 O ATOM 946 CB TYR A 61 15.636 -10.357 1.671 1.00 0.00 C ATOM 947 CG TYR A 61 15.021 -11.463 2.496 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.807 -12.540 2.921 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.664 -11.409 2.835 1.00 0.00 C ATOM 950 CE1 TYR A 61 15.234 -13.564 3.686 1.00 0.00 C ATOM 951 CE2 TYR A 61 13.092 -12.432 3.598 1.00 0.00 C ATOM 952 CZ TYR A 61 13.877 -13.511 4.024 1.00 0.00 C ATOM 953 OH TYR A 61 13.311 -14.520 4.776 1.00 0.00 O ATOM 0 H TYR A 61 16.570 -8.902 -0.089 1.00 0.00 H new ATOM 0 HA TYR A 61 16.335 -11.665 0.116 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.639 -10.132 2.034 1.00 0.00 H new ATOM 0 HB3 TYR A 61 15.049 -9.444 1.770 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.854 -12.582 2.660 1.00 0.00 H new ATOM 0 HD2 TYR A 61 13.058 -10.577 2.507 1.00 0.00 H new ATOM 0 HE1 TYR A 61 15.840 -14.395 4.015 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.045 -12.390 3.859 1.00 0.00 H new ATOM 0 HH TYR A 61 12.361 -14.326 4.921 1.00 0.00 H new ATOM 963 N TYR A 62 13.518 -10.116 -0.590 1.00 0.00 N ATOM 964 CA TYR A 62 12.167 -10.312 -1.081 1.00 0.00 C ATOM 965 C TYR A 62 12.193 -10.559 -2.579 1.00 0.00 C ATOM 966 O TYR A 62 11.160 -10.489 -3.247 1.00 0.00 O ATOM 967 CB TYR A 62 11.330 -9.068 -0.797 1.00 0.00 C ATOM 968 CG TYR A 62 11.052 -8.958 0.678 1.00 0.00 C ATOM 969 CD1 TYR A 62 10.305 -9.948 1.322 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.536 -7.862 1.400 1.00 0.00 C ATOM 971 CE1 TYR A 62 10.040 -9.844 2.692 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.270 -7.757 2.769 1.00 0.00 C ATOM 973 CZ TYR A 62 10.523 -8.748 3.416 1.00 0.00 C ATOM 974 OH TYR A 62 10.260 -8.644 4.766 1.00 0.00 O ATOM 0 H TYR A 62 13.803 -9.140 -0.513 1.00 0.00 H new ATOM 0 HA TYR A 62 11.730 -11.173 -0.576 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.857 -8.179 -1.143 1.00 0.00 H new ATOM 0 HB3 TYR A 62 10.392 -9.118 -1.349 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.932 -10.793 0.762 1.00 0.00 H new ATOM 0 HD2 TYR A 62 12.114 -7.098 0.901 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.463 -10.609 3.190 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.641 -6.910 3.327 1.00 0.00 H new ATOM 0 HH TYR A 62 10.668 -7.825 5.117 1.00 0.00 H new ATOM 984 N ARG A 63 13.383 -10.821 -3.109 1.00 0.00 N ATOM 985 CA ARG A 63 13.517 -11.039 -4.538 1.00 0.00 C ATOM 986 C ARG A 63 13.008 -9.806 -5.259 1.00 0.00 C ATOM 987 O ARG A 63 12.935 -9.757 -6.486 1.00 0.00 O ATOM 988 CB ARG A 63 12.715 -12.266 -4.956 1.00 0.00 C ATOM 989 CG ARG A 63 13.383 -13.511 -4.378 1.00 0.00 C ATOM 990 CD ARG A 63 12.644 -14.755 -4.860 1.00 0.00 C ATOM 991 NE ARG A 63 11.379 -14.904 -4.146 1.00 0.00 N ATOM 992 CZ ARG A 63 10.308 -14.188 -4.477 1.00 0.00 C ATOM 993 NH1 ARG A 63 9.941 -14.102 -5.725 1.00 0.00 N ATOM 994 NH2 ARG A 63 9.622 -13.574 -3.550 1.00 0.00 N ATOM 0 H ARG A 63 14.252 -10.886 -2.579 1.00 0.00 H new ATOM 0 HA ARG A 63 14.562 -11.212 -4.795 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.689 -12.187 -4.596 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.667 -12.333 -6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.427 -13.553 -4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.374 -13.469 -3.289 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.458 -14.683 -5.932 1.00 0.00 H new ATOM 0 HD3 ARG A 63 13.264 -15.638 -4.703 1.00 0.00 H new ATOM 0 HE ARG A 63 11.315 -15.571 -3.377 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.475 -14.584 -6.448 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.120 -13.553 -5.978 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.908 -13.644 -2.573 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.801 -13.025 -3.803 1.00 0.00 H new ATOM 1008 N LEU A 64 12.668 -8.809 -4.456 1.00 0.00 N ATOM 1009 CA LEU A 64 12.170 -7.539 -4.956 1.00 0.00 C ATOM 1010 C LEU A 64 13.247 -6.862 -5.799 1.00 0.00 C ATOM 1011 O LEU A 64 14.407 -6.786 -5.393 1.00 0.00 O ATOM 1012 CB LEU A 64 11.795 -6.669 -3.749 1.00 0.00 C ATOM 1013 CG LEU A 64 10.836 -5.544 -4.141 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.548 -4.555 -5.054 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.619 -6.122 -4.860 1.00 0.00 C ATOM 0 H LEU A 64 12.730 -8.859 -3.439 1.00 0.00 H new ATOM 0 HA LEU A 64 11.293 -7.688 -5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.333 -7.290 -2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.698 -6.242 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 64 10.506 -5.029 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.861 -3.755 -5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.406 -4.132 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.887 -5.069 -5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.941 -5.314 -5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.943 -6.647 -5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.103 -6.819 -4.199 1.00 0.00 H new ATOM 1027 N VAL A 65 12.868 -6.394 -6.982 1.00 0.00 N ATOM 1028 CA VAL A 65 13.827 -5.744 -7.874 1.00 0.00 C ATOM 1029 C VAL A 65 13.184 -4.604 -8.662 1.00 0.00 C ATOM 1030 O VAL A 65 13.878 -3.839 -9.331 1.00 0.00 O ATOM 1031 CB VAL A 65 14.408 -6.764 -8.858 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.891 -6.463 -9.084 1.00 0.00 C ATOM 1033 CG2 VAL A 65 14.254 -8.177 -8.292 1.00 0.00 C ATOM 0 H VAL A 65 11.916 -6.450 -7.345 1.00 0.00 H new ATOM 0 HA VAL A 65 14.620 -5.330 -7.251 1.00 0.00 H new ATOM 0 HB VAL A 65 13.872 -6.697 -9.805 1.00 0.00 H new ATOM 0 HG11 VAL A 65 16.307 -7.188 -9.784 1.00 0.00 H new ATOM 0 HG12 VAL A 65 16.000 -5.459 -9.494 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.424 -6.528 -8.135 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.669 -8.898 -8.996 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.786 -8.249 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.197 -8.392 -8.133 1.00 0.00 H new ATOM 1043 N VAL A 66 11.863 -4.489 -8.590 1.00 0.00 N ATOM 1044 CA VAL A 66 11.171 -3.437 -9.312 1.00 0.00 C ATOM 1045 C VAL A 66 10.730 -2.338 -8.364 1.00 0.00 C ATOM 1046 O VAL A 66 10.201 -2.607 -7.286 1.00 0.00 O ATOM 1047 CB VAL A 66 9.942 -4.010 -10.006 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.377 -4.854 -11.202 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.164 -4.876 -9.014 1.00 0.00 C ATOM 0 H VAL A 66 11.259 -5.105 -8.045 1.00 0.00 H new ATOM 0 HA VAL A 66 11.857 -3.021 -10.049 1.00 0.00 H new ATOM 0 HB VAL A 66 9.305 -3.198 -10.357 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.497 -5.263 -11.698 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.932 -4.232 -11.904 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.013 -5.670 -10.859 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.283 -5.289 -9.505 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.800 -5.690 -8.665 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.854 -4.267 -8.165 1.00 0.00 H new ATOM 1059 N THR A 67 10.937 -1.098 -8.778 1.00 0.00 N ATOM 1060 CA THR A 67 10.538 0.029 -7.957 1.00 0.00 C ATOM 1061 C THR A 67 9.796 1.061 -8.808 1.00 0.00 C ATOM 1062 O THR A 67 10.070 1.200 -9.999 1.00 0.00 O ATOM 1063 CB THR A 67 11.765 0.657 -7.298 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.789 0.827 -8.268 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.262 -0.270 -6.187 1.00 0.00 C ATOM 0 H THR A 67 11.373 -0.850 -9.666 1.00 0.00 H new ATOM 0 HA THR A 67 9.866 -0.321 -7.174 1.00 0.00 H new ATOM 0 HB THR A 67 11.503 1.628 -6.878 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.576 1.231 -7.846 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.138 0.170 -5.711 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.474 -0.404 -5.445 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.528 -1.238 -6.612 1.00 0.00 H new ATOM 1073 N PRO A 68 8.858 1.767 -8.233 1.00 0.00 N ATOM 1074 CA PRO A 68 8.495 1.633 -6.795 1.00 0.00 C ATOM 1075 C PRO A 68 7.736 0.341 -6.516 1.00 0.00 C ATOM 1076 O PRO A 68 7.186 -0.279 -7.426 1.00 0.00 O ATOM 1077 CB PRO A 68 7.602 2.845 -6.502 1.00 0.00 C ATOM 1078 CG PRO A 68 7.474 3.622 -7.778 1.00 0.00 C ATOM 1079 CD PRO A 68 8.036 2.765 -8.911 1.00 0.00 C ATOM 0 HA PRO A 68 9.384 1.598 -6.166 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.623 2.524 -6.147 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.038 3.463 -5.717 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.430 3.870 -7.970 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.018 4.564 -7.707 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.239 2.298 -9.490 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.627 3.362 -9.606 1.00 0.00 H new ATOM 1087 N ALA A 69 7.713 -0.056 -5.254 1.00 0.00 N ATOM 1088 CA ALA A 69 7.020 -1.275 -4.869 1.00 0.00 C ATOM 1089 C ALA A 69 6.451 -1.128 -3.463 1.00 0.00 C ATOM 1090 O ALA A 69 7.111 -0.595 -2.569 1.00 0.00 O ATOM 1091 CB ALA A 69 7.985 -2.458 -4.907 1.00 0.00 C ATOM 0 H ALA A 69 8.161 0.442 -4.485 1.00 0.00 H new ATOM 0 HA ALA A 69 6.205 -1.453 -5.571 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.458 -3.367 -4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.380 -2.573 -5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.807 -2.279 -4.214 1.00 0.00 H new ATOM 1097 N LEU A 70 5.228 -1.602 -3.277 1.00 0.00 N ATOM 1098 CA LEU A 70 4.572 -1.515 -1.981 1.00 0.00 C ATOM 1099 C LEU A 70 4.378 -2.910 -1.406 1.00 0.00 C ATOM 1100 O LEU A 70 3.893 -3.808 -2.093 1.00 0.00 O ATOM 1101 CB LEU A 70 3.223 -0.812 -2.143 1.00 0.00 C ATOM 1102 CG LEU A 70 2.722 -0.325 -0.787 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.546 0.629 -1.000 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.262 -1.517 0.048 1.00 0.00 C ATOM 0 H LEU A 70 4.671 -2.050 -4.005 1.00 0.00 H new ATOM 0 HA LEU A 70 5.193 -0.940 -1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.323 0.031 -2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.498 -1.496 -2.584 1.00 0.00 H new ATOM 0 HG LEU A 70 3.527 0.192 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.183 0.981 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.872 1.481 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.743 0.107 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.905 -1.167 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.455 -2.035 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.097 -2.202 0.196 1.00 0.00 H new ATOM 1116 N VAL A 71 4.782 -3.100 -0.153 1.00 0.00 N ATOM 1117 CA VAL A 71 4.660 -4.412 0.465 1.00 0.00 C ATOM 1118 C VAL A 71 3.918 -4.362 1.799 1.00 0.00 C ATOM 1119 O VAL A 71 4.297 -3.628 2.711 1.00 0.00 O ATOM 1120 CB VAL A 71 6.055 -5.000 0.682 1.00 0.00 C ATOM 1121 CG1 VAL A 71 5.923 -6.402 1.275 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.800 -5.077 -0.658 1.00 0.00 C ATOM 0 H VAL A 71 5.188 -2.378 0.442 1.00 0.00 H new ATOM 0 HA VAL A 71 4.078 -5.040 -0.209 1.00 0.00 H new ATOM 0 HB VAL A 71 6.615 -4.363 1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.915 -6.826 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.398 -6.346 2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.362 -7.036 0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.793 -5.496 -0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.244 -5.713 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.892 -4.077 -1.081 1.00 0.00 H new ATOM 1132 N LYS A 72 2.877 -5.187 1.909 1.00 0.00 N ATOM 1133 CA LYS A 72 2.098 -5.279 3.140 1.00 0.00 C ATOM 1134 C LYS A 72 2.657 -6.400 4.007 1.00 0.00 C ATOM 1135 O LYS A 72 2.850 -7.517 3.529 1.00 0.00 O ATOM 1136 CB LYS A 72 0.630 -5.579 2.822 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.207 -5.399 4.089 1.00 0.00 C ATOM 1138 CD LYS A 72 -1.370 -6.391 4.079 1.00 0.00 C ATOM 1139 CE LYS A 72 -2.449 -5.930 5.060 1.00 0.00 C ATOM 1140 NZ LYS A 72 -3.084 -7.120 5.693 1.00 0.00 N ATOM 0 H LYS A 72 2.555 -5.800 1.160 1.00 0.00 H new ATOM 0 HA LYS A 72 2.161 -4.327 3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.272 -4.912 2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.528 -6.597 2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.412 -5.558 4.972 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.586 -4.379 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.787 -6.468 3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.016 -7.385 4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.011 -5.288 5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.201 -5.337 4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.082 -6.912 5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.027 -7.930 5.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.587 -7.349 6.577 1.00 0.00 H new ATOM 1154 N ILE A 73 2.924 -6.111 5.275 1.00 0.00 N ATOM 1155 CA ILE A 73 3.468 -7.136 6.157 1.00 0.00 C ATOM 1156 C ILE A 73 2.413 -7.681 7.120 1.00 0.00 C ATOM 1157 O ILE A 73 2.588 -8.766 7.673 1.00 0.00 O ATOM 1158 CB ILE A 73 4.669 -6.595 6.938 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.526 -5.081 7.135 1.00 0.00 C ATOM 1160 CG2 ILE A 73 5.956 -6.896 6.163 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.180 -4.343 5.961 1.00 0.00 C ATOM 0 H ILE A 73 2.777 -5.199 5.708 1.00 0.00 H new ATOM 0 HA ILE A 73 3.797 -7.962 5.526 1.00 0.00 H new ATOM 0 HB ILE A 73 4.710 -7.077 7.915 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.472 -4.812 7.205 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.994 -4.781 8.072 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.813 -6.512 6.717 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.060 -7.973 6.035 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.912 -6.417 5.185 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.076 -3.267 6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.238 -4.602 5.912 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.692 -4.634 5.031 1.00 0.00 H new ATOM 1173 N GLY A 74 1.319 -6.948 7.321 1.00 0.00 N ATOM 1174 CA GLY A 74 0.275 -7.429 8.221 1.00 0.00 C ATOM 1175 C GLY A 74 -0.391 -6.281 8.971 1.00 0.00 C ATOM 1176 O GLY A 74 -0.110 -5.111 8.712 1.00 0.00 O ATOM 0 H GLY A 74 1.135 -6.044 6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.476 -7.975 7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.705 -8.131 8.936 1.00 0.00 H new ATOM 1180 N PRO A 75 -1.275 -6.595 9.886 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.632 -8.003 10.216 1.00 0.00 C ATOM 1182 C PRO A 75 -2.315 -8.705 9.049 1.00 0.00 C ATOM 1183 O PRO A 75 -2.665 -8.074 8.051 1.00 0.00 O ATOM 1184 CB PRO A 75 -2.568 -7.908 11.428 1.00 0.00 C ATOM 1185 CG PRO A 75 -2.714 -6.457 11.771 1.00 0.00 C ATOM 1186 CD PRO A 75 -2.028 -5.628 10.684 1.00 0.00 C ATOM 0 HA PRO A 75 -0.743 -8.596 10.431 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.539 -8.347 11.198 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.159 -8.462 12.273 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.768 -6.189 11.842 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.266 -6.251 12.743 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.758 -5.097 10.074 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.369 -4.877 11.118 1.00 0.00 H new ATOM 1194 N GLY A 76 -2.486 -10.017 9.173 1.00 0.00 N ATOM 1195 CA GLY A 76 -3.110 -10.798 8.113 1.00 0.00 C ATOM 1196 C GLY A 76 -2.042 -11.405 7.210 1.00 0.00 C ATOM 1197 O GLY A 76 -0.880 -11.515 7.600 1.00 0.00 O ATOM 0 H GLY A 76 -2.204 -10.558 9.990 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.723 -11.588 8.546 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.775 -10.164 7.527 1.00 0.00 H new ATOM 1201 N SER A 77 -2.436 -11.801 6.006 1.00 0.00 N ATOM 1202 CA SER A 77 -1.490 -12.395 5.069 1.00 0.00 C ATOM 1203 C SER A 77 -0.525 -11.352 4.519 1.00 0.00 C ATOM 1204 O SER A 77 -0.833 -10.162 4.469 1.00 0.00 O ATOM 1205 CB SER A 77 -2.228 -13.054 3.908 1.00 0.00 C ATOM 1206 OG SER A 77 -1.341 -13.176 2.804 1.00 0.00 O ATOM 0 H SER A 77 -3.392 -11.723 5.658 1.00 0.00 H new ATOM 0 HA SER A 77 -0.921 -13.147 5.615 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.596 -14.036 4.205 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.097 -12.459 3.628 1.00 0.00 H new ATOM 0 HG SER A 77 -1.808 -13.600 2.054 1.00 0.00 H new ATOM 1212 N ARG A 78 0.642 -11.822 4.093 1.00 0.00 N ATOM 1213 CA ARG A 78 1.661 -10.945 3.525 1.00 0.00 C ATOM 1214 C ARG A 78 1.432 -10.788 2.025 1.00 0.00 C ATOM 1215 O ARG A 78 1.064 -11.745 1.346 1.00 0.00 O ATOM 1216 CB ARG A 78 3.051 -11.537 3.768 1.00 0.00 C ATOM 1217 CG ARG A 78 4.117 -10.517 3.364 1.00 0.00 C ATOM 1218 CD ARG A 78 5.504 -11.079 3.669 1.00 0.00 C ATOM 1219 NE ARG A 78 5.814 -12.180 2.766 1.00 0.00 N ATOM 1220 CZ ARG A 78 7.058 -12.399 2.352 1.00 0.00 C ATOM 1221 NH1 ARG A 78 7.766 -11.417 1.864 1.00 0.00 N ATOM 1222 NH2 ARG A 78 7.576 -13.593 2.440 1.00 0.00 N ATOM 0 H ARG A 78 0.907 -12.806 4.130 1.00 0.00 H new ATOM 0 HA ARG A 78 1.595 -9.969 4.005 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.166 -11.803 4.819 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.173 -12.454 3.192 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.032 -10.288 2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.965 -9.583 3.905 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.253 -10.294 3.566 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.545 -11.425 4.702 1.00 0.00 H new ATOM 0 HE ARG A 78 5.064 -12.793 2.446 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.365 -10.481 1.800 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.721 -11.585 1.546 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.026 -14.360 2.827 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.531 -13.759 2.122 1.00 0.00 H new ATOM 1236 N GLN A 79 1.648 -9.584 1.506 1.00 0.00 N ATOM 1237 CA GLN A 79 1.452 -9.348 0.081 1.00 0.00 C ATOM 1238 C GLN A 79 2.494 -8.380 -0.459 1.00 0.00 C ATOM 1239 O GLN A 79 3.066 -7.590 0.290 1.00 0.00 O ATOM 1240 CB GLN A 79 0.054 -8.781 -0.167 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.988 -9.728 0.428 1.00 0.00 C ATOM 1242 CD GLN A 79 -2.378 -9.344 -0.059 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -3.367 -9.959 0.339 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -2.513 -8.365 -0.909 1.00 0.00 N ATOM 0 H GLN A 79 1.953 -8.770 2.040 1.00 0.00 H new ATOM 0 HA GLN A 79 1.559 -10.301 -0.438 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -0.036 -7.793 0.285 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.117 -8.659 -1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.764 -10.755 0.141 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.950 -9.686 1.517 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.691 -7.857 -1.237 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.440 -8.107 -1.246 1.00 0.00 H new ATOM 1253 N VAL A 80 2.730 -8.444 -1.765 1.00 0.00 N ATOM 1254 CA VAL A 80 3.703 -7.565 -2.401 1.00 0.00 C ATOM 1255 C VAL A 80 3.101 -6.907 -3.638 1.00 0.00 C ATOM 1256 O VAL A 80 2.662 -7.592 -4.562 1.00 0.00 O ATOM 1257 CB VAL A 80 4.936 -8.373 -2.806 1.00 0.00 C ATOM 1258 CG1 VAL A 80 5.997 -7.434 -3.386 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.499 -9.092 -1.579 1.00 0.00 C ATOM 0 H VAL A 80 2.264 -9.092 -2.400 1.00 0.00 H new ATOM 0 HA VAL A 80 3.987 -6.788 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 80 4.657 -9.109 -3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.875 -8.011 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.593 -6.926 -4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.279 -6.695 -2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.378 -9.668 -1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.778 -8.358 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.743 -9.763 -1.172 1.00 0.00 H new ATOM 1269 N LEU A 81 3.094 -5.579 -3.657 1.00 0.00 N ATOM 1270 CA LEU A 81 2.554 -4.847 -4.797 1.00 0.00 C ATOM 1271 C LEU A 81 3.640 -3.997 -5.446 1.00 0.00 C ATOM 1272 O LEU A 81 4.333 -3.242 -4.765 1.00 0.00 O ATOM 1273 CB LEU A 81 1.412 -3.936 -4.347 1.00 0.00 C ATOM 1274 CG LEU A 81 0.379 -4.728 -3.545 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.601 -3.750 -2.903 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.390 -5.669 -4.474 1.00 0.00 C ATOM 0 H LEU A 81 3.452 -4.992 -2.904 1.00 0.00 H new ATOM 0 HA LEU A 81 2.181 -5.572 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.807 -3.122 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.936 -3.483 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 81 0.885 -5.314 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.343 -4.304 -2.328 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.059 -3.074 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.101 -3.173 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.124 -6.230 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.900 -5.086 -5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.306 -6.362 -4.947 1.00 0.00 H new ATOM 1288 N SER A 82 3.783 -4.108 -6.761 1.00 0.00 N ATOM 1289 CA SER A 82 4.787 -3.322 -7.468 1.00 0.00 C ATOM 1290 C SER A 82 4.458 -3.209 -8.947 1.00 0.00 C ATOM 1291 O SER A 82 3.560 -3.881 -9.454 1.00 0.00 O ATOM 1292 CB SER A 82 6.171 -3.948 -7.311 1.00 0.00 C ATOM 1293 OG SER A 82 7.107 -3.203 -8.078 1.00 0.00 O ATOM 0 H SER A 82 3.226 -4.725 -7.352 1.00 0.00 H new ATOM 0 HA SER A 82 4.786 -2.325 -7.028 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.464 -3.954 -6.261 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.154 -4.986 -7.643 1.00 0.00 H new ATOM 0 HG SER A 82 7.142 -2.282 -7.746 1.00 0.00 H new ATOM 1299 N GLY A 83 5.211 -2.361 -9.633 1.00 0.00 N ATOM 1300 CA GLY A 83 5.016 -2.168 -11.071 1.00 0.00 C ATOM 1301 C GLY A 83 4.012 -1.058 -11.365 1.00 0.00 C ATOM 1302 O GLY A 83 3.041 -1.264 -12.093 1.00 0.00 O ATOM 0 H GLY A 83 5.958 -1.798 -9.226 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.971 -1.927 -11.538 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.669 -3.099 -11.519 1.00 0.00 H new ATOM 1306 N ILE A 84 4.268 0.116 -10.801 1.00 0.00 N ATOM 1307 CA ILE A 84 3.408 1.284 -10.993 1.00 0.00 C ATOM 1308 C ILE A 84 1.919 0.933 -10.917 1.00 0.00 C ATOM 1309 O ILE A 84 1.066 1.805 -11.074 1.00 0.00 O ATOM 1310 CB ILE A 84 3.719 1.933 -12.349 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.146 1.083 -13.492 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.234 2.027 -12.516 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.229 1.866 -14.806 1.00 0.00 C ATOM 0 H ILE A 84 5.074 0.288 -10.199 1.00 0.00 H new ATOM 0 HA ILE A 84 3.618 1.982 -10.182 1.00 0.00 H new ATOM 0 HB ILE A 84 3.268 2.925 -12.381 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.701 0.149 -13.578 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.110 0.819 -13.279 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.466 2.487 -13.477 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.652 2.634 -11.713 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.667 1.027 -12.478 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.822 1.261 -15.616 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.654 2.788 -14.717 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.270 2.107 -15.021 1.00 0.00 H new ATOM 1325 N ASP A 85 1.609 -0.332 -10.661 1.00 0.00 N ATOM 1326 CA ASP A 85 0.217 -0.754 -10.554 1.00 0.00 C ATOM 1327 C ASP A 85 -0.173 -0.852 -9.088 1.00 0.00 C ATOM 1328 O ASP A 85 -1.243 -1.358 -8.744 1.00 0.00 O ATOM 1329 CB ASP A 85 0.009 -2.105 -11.244 1.00 0.00 C ATOM 1330 CG ASP A 85 0.767 -3.201 -10.501 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.212 -2.944 -9.395 1.00 0.00 O ATOM 1332 OD2 ASP A 85 0.888 -4.285 -11.051 1.00 0.00 O ATOM 0 H ASP A 85 2.293 -1.076 -10.525 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.414 -0.016 -11.049 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.054 -2.345 -11.275 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.354 -2.051 -12.277 1.00 0.00 H new ATOM 1337 N LEU A 86 0.717 -0.368 -8.234 1.00 0.00 N ATOM 1338 CA LEU A 86 0.496 -0.397 -6.798 1.00 0.00 C ATOM 1339 C LEU A 86 -0.887 0.138 -6.439 1.00 0.00 C ATOM 1340 O LEU A 86 -1.565 -0.412 -5.572 1.00 0.00 O ATOM 1341 CB LEU A 86 1.557 0.456 -6.101 1.00 0.00 C ATOM 1342 CG LEU A 86 2.953 0.063 -6.601 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.358 0.933 -7.799 1.00 0.00 C ATOM 1344 CD2 LEU A 86 3.963 0.266 -5.473 1.00 0.00 C ATOM 0 H LEU A 86 1.604 0.052 -8.514 1.00 0.00 H new ATOM 0 HA LEU A 86 0.564 -1.433 -6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.374 1.512 -6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.496 0.318 -5.021 1.00 0.00 H new ATOM 0 HG LEU A 86 2.937 -0.982 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.351 0.641 -8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.640 0.795 -8.608 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.371 1.981 -7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.958 -0.011 -5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.964 1.313 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.689 -0.358 -4.623 1.00 0.00 H new ATOM 1356 N THR A 87 -1.297 1.223 -7.090 1.00 0.00 N ATOM 1357 CA THR A 87 -2.597 1.820 -6.799 1.00 0.00 C ATOM 1358 C THR A 87 -3.741 0.901 -7.209 1.00 0.00 C ATOM 1359 O THR A 87 -4.710 0.749 -6.466 1.00 0.00 O ATOM 1360 CB THR A 87 -2.742 3.168 -7.515 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.642 2.968 -8.917 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.645 4.132 -7.055 1.00 0.00 C ATOM 0 H THR A 87 -0.758 1.701 -7.812 1.00 0.00 H new ATOM 0 HA THR A 87 -2.649 1.973 -5.721 1.00 0.00 H new ATOM 0 HB THR A 87 -3.714 3.598 -7.272 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.736 3.828 -9.378 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.759 5.086 -7.571 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.726 4.289 -5.979 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.668 3.709 -7.287 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.637 0.286 -8.382 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.690 -0.608 -8.835 1.00 0.00 C ATOM 1372 C ASP A 88 -4.662 -1.899 -8.034 1.00 0.00 C ATOM 1373 O ASP A 88 -5.702 -2.386 -7.586 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.525 -0.917 -10.323 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.912 0.300 -11.157 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -5.375 1.267 -10.576 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -4.742 0.245 -12.364 1.00 0.00 O ATOM 0 H ASP A 88 -2.850 0.388 -9.023 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.650 -0.115 -8.683 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.493 -1.197 -10.532 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.148 -1.768 -10.597 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.468 -2.446 -7.845 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.330 -3.675 -7.082 1.00 0.00 C ATOM 1384 C GLN A 89 -3.679 -3.421 -5.620 1.00 0.00 C ATOM 1385 O GLN A 89 -4.365 -4.226 -4.991 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.904 -4.222 -7.208 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.964 -5.739 -7.412 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.572 -6.291 -7.706 1.00 0.00 C ATOM 1389 OE1 GLN A 89 -0.387 -7.507 -7.774 1.00 0.00 O ATOM 1390 NE2 GLN A 89 0.422 -5.466 -7.884 1.00 0.00 N ATOM 0 H GLN A 89 -2.594 -2.063 -8.205 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.019 -4.419 -7.481 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.393 -3.750 -8.047 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.330 -3.986 -6.312 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.371 -6.217 -6.521 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.637 -5.975 -8.236 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.266 -4.460 -7.827 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.356 -5.827 -8.080 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.226 -2.287 -5.081 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.532 -1.953 -3.696 1.00 0.00 C ATOM 1401 C LEU A 90 -5.041 -1.881 -3.495 1.00 0.00 C ATOM 1402 O LEU A 90 -5.579 -2.427 -2.532 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.896 -0.614 -3.323 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.261 -0.252 -1.883 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.541 -1.197 -0.920 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.836 1.189 -1.602 1.00 0.00 C ATOM 0 H LEU A 90 -2.657 -1.599 -5.574 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.124 -2.731 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.813 -0.673 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.241 0.165 -4.003 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.338 -0.348 -1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.802 -0.938 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.844 -2.224 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.464 -1.103 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.095 1.451 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.759 1.284 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.351 1.861 -2.289 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.715 -1.203 -4.419 1.00 0.00 N ATOM 1419 CA ALA A 91 -7.166 -1.062 -4.350 1.00 0.00 C ATOM 1420 C ALA A 91 -7.836 -2.429 -4.369 1.00 0.00 C ATOM 1421 O ALA A 91 -8.900 -2.618 -3.782 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.672 -0.231 -5.530 1.00 0.00 C ATOM 0 H ALA A 91 -5.282 -0.744 -5.221 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.416 -0.556 -3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.756 -0.133 -5.468 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.216 0.758 -5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.406 -0.726 -6.464 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.209 -3.377 -5.057 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.744 -4.725 -5.155 1.00 0.00 C ATOM 1430 C ASN A 92 -7.398 -5.538 -3.916 1.00 0.00 C ATOM 1431 O ASN A 92 -8.202 -6.338 -3.437 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.161 -5.419 -6.384 1.00 0.00 C ATOM 1433 CG ASN A 92 -7.709 -4.790 -7.659 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -8.721 -4.090 -7.620 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -7.099 -4.999 -8.795 1.00 0.00 N ATOM 0 H ASN A 92 -6.330 -3.234 -5.554 1.00 0.00 H new ATOM 0 HA ASN A 92 -8.829 -4.657 -5.240 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.074 -5.342 -6.371 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.406 -6.481 -6.360 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.461 -4.582 -9.653 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.261 -5.579 -8.825 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.186 -5.341 -3.416 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.722 -6.070 -2.249 1.00 0.00 C ATOM 1444 C GLN A 93 -6.292 -5.491 -0.962 1.00 0.00 C ATOM 1445 O GLN A 93 -6.590 -6.225 -0.021 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.196 -6.028 -2.195 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.617 -6.777 -3.391 1.00 0.00 C ATOM 1448 CD GLN A 93 -4.165 -8.195 -3.415 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -4.112 -8.898 -2.406 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.695 -8.663 -4.505 1.00 0.00 N ATOM 0 H GLN A 93 -5.509 -4.683 -3.801 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.067 -7.100 -2.336 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.851 -4.994 -2.200 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.843 -6.478 -1.267 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.874 -6.261 -4.316 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.529 -6.797 -3.329 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -4.739 -8.081 -5.341 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.067 -9.613 -4.524 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.434 -4.175 -0.919 1.00 0.00 N ATOM 1460 CA LEU A 94 -6.960 -3.526 0.269 1.00 0.00 C ATOM 1461 C LEU A 94 -8.289 -4.155 0.692 1.00 0.00 C ATOM 1462 O LEU A 94 -8.397 -4.691 1.794 1.00 0.00 O ATOM 1463 CB LEU A 94 -7.124 -2.029 0.006 1.00 0.00 C ATOM 1464 CG LEU A 94 -8.109 -1.432 1.012 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.623 -1.723 2.433 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -8.190 0.079 0.804 1.00 0.00 C ATOM 0 H LEU A 94 -6.195 -3.543 -1.683 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.255 -3.665 1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.159 -1.528 0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.484 -1.866 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.094 -1.875 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.324 -1.298 3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.559 -2.801 2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.639 -1.278 2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.891 0.508 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.204 0.520 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.532 0.289 -0.209 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.291 -4.118 -0.152 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.617 -4.715 0.163 1.00 0.00 C ATOM 1480 C PRO A 95 -10.475 -6.129 0.714 1.00 0.00 C ATOM 1481 O PRO A 95 -11.071 -6.478 1.733 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.357 -4.755 -1.183 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.420 -4.205 -2.216 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.282 -3.504 -1.481 1.00 0.00 C ATOM 0 HA PRO A 95 -11.143 -4.137 0.923 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.649 -5.775 -1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.271 -4.163 -1.138 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.033 -5.005 -2.846 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.940 -3.506 -2.871 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.327 -3.656 -1.985 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.445 -2.428 -1.425 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.680 -6.938 0.023 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.454 -8.319 0.430 1.00 0.00 C ATOM 1494 C GLN A 96 -8.839 -8.375 1.823 1.00 0.00 C ATOM 1495 O GLN A 96 -9.127 -9.284 2.602 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.540 -9.005 -0.584 1.00 0.00 C ATOM 1497 CG GLN A 96 -9.243 -9.021 -1.943 1.00 0.00 C ATOM 1498 CD GLN A 96 -8.377 -9.728 -2.978 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -8.171 -10.939 -2.895 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -7.864 -9.040 -3.963 1.00 0.00 N ATOM 0 H GLN A 96 -9.181 -6.661 -0.822 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.410 -8.841 0.463 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.590 -8.475 -0.656 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -8.315 -10.022 -0.263 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.205 -9.527 -1.857 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.448 -8.000 -2.266 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.037 -8.037 -4.029 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.291 -9.506 -4.666 1.00 0.00 H new ATOM 1509 N TRP A 97 -8.003 -7.394 2.137 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.368 -7.341 3.449 1.00 0.00 C ATOM 1511 C TRP A 97 -8.427 -7.149 4.525 1.00 0.00 C ATOM 1512 O TRP A 97 -8.349 -7.739 5.600 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.383 -6.174 3.512 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.340 -6.332 2.455 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -5.168 -7.429 1.683 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.325 -5.374 2.039 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -4.111 -7.204 0.818 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.559 -5.950 1.002 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -3.999 -4.072 2.460 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.506 -5.260 0.400 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -2.940 -3.374 1.858 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -2.195 -3.968 0.829 1.00 0.00 C ATOM 0 H TRP A 97 -7.750 -6.631 1.509 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.834 -8.277 3.615 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.913 -5.232 3.374 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.914 -6.135 4.495 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.758 -8.332 1.733 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.780 -7.880 0.130 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.567 -3.606 3.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.936 -5.722 -0.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.698 -2.375 2.189 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.382 -3.427 0.369 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.413 -6.312 4.222 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.492 -6.036 5.157 1.00 0.00 C ATOM 1535 C LEU A 98 -11.478 -7.201 5.210 1.00 0.00 C ATOM 1536 O LEU A 98 -12.025 -7.522 6.265 1.00 0.00 O ATOM 1537 CB LEU A 98 -11.234 -4.774 4.717 1.00 0.00 C ATOM 1538 CG LEU A 98 -10.255 -3.604 4.620 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -11.015 -2.338 4.222 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -9.582 -3.390 5.977 1.00 0.00 C ATOM 0 H LEU A 98 -9.485 -5.814 3.335 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.062 -5.895 6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.713 -4.940 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.025 -4.540 5.429 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.496 -3.824 3.869 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.319 -1.502 4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.496 -2.491 3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.773 -2.117 4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.884 -2.556 5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.340 -3.168 6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.042 -4.293 6.262 1.00 0.00 H new ATOM 1552 N VAL A 99 -11.715 -7.809 4.054 1.00 0.00 N ATOM 1553 CA VAL A 99 -12.657 -8.919 3.954 1.00 0.00 C ATOM 1554 C VAL A 99 -12.170 -10.153 4.709 1.00 0.00 C ATOM 1555 O VAL A 99 -12.930 -10.772 5.453 1.00 0.00 O ATOM 1556 CB VAL A 99 -12.877 -9.271 2.483 1.00 0.00 C ATOM 1557 CG1 VAL A 99 -13.872 -10.428 2.380 1.00 0.00 C ATOM 1558 CG2 VAL A 99 -13.435 -8.052 1.748 1.00 0.00 C ATOM 0 H VAL A 99 -11.269 -7.553 3.173 1.00 0.00 H new ATOM 0 HA VAL A 99 -13.595 -8.601 4.410 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.929 -9.566 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.030 -10.680 1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.476 -11.296 2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -14.821 -10.133 2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -13.593 -8.301 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -14.383 -7.759 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -12.727 -7.227 1.823 1.00 0.00 H new ATOM 1568 N GLN A 100 -10.907 -10.513 4.512 1.00 0.00 N ATOM 1569 CA GLN A 100 -10.355 -11.687 5.186 1.00 0.00 C ATOM 1570 C GLN A 100 -11.296 -12.875 5.012 1.00 0.00 C ATOM 1571 O GLN A 100 -11.823 -13.407 5.989 1.00 0.00 O ATOM 1572 CB GLN A 100 -10.174 -11.401 6.679 1.00 0.00 C ATOM 1573 CG GLN A 100 -9.213 -10.226 6.857 1.00 0.00 C ATOM 1574 CD GLN A 100 -9.089 -9.870 8.335 1.00 0.00 C ATOM 1575 OE1 GLN A 100 -9.809 -10.418 9.171 1.00 0.00 O ATOM 1576 NE2 GLN A 100 -8.215 -8.977 8.709 1.00 0.00 N ATOM 0 H GLN A 100 -10.254 -10.020 3.903 1.00 0.00 H new ATOM 0 HA GLN A 100 -9.386 -11.920 4.744 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.136 -11.171 7.136 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.784 -12.284 7.185 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.234 -10.483 6.453 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.573 -9.363 6.296 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.620 -8.524 8.015 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.127 -8.731 9.695 1.00 0.00 H new ATOM 1585 N GLN A 101 -11.528 -13.272 3.764 1.00 0.00 N ATOM 1586 CA GLN A 101 -12.436 -14.381 3.491 1.00 0.00 C ATOM 1587 C GLN A 101 -11.947 -15.667 4.146 1.00 0.00 C ATOM 1588 O GLN A 101 -10.823 -16.113 3.913 1.00 0.00 O ATOM 1589 CB GLN A 101 -12.569 -14.596 1.983 1.00 0.00 C ATOM 1590 CG GLN A 101 -13.158 -13.340 1.344 1.00 0.00 C ATOM 1591 CD GLN A 101 -13.342 -13.549 -0.155 1.00 0.00 C ATOM 1592 OE1 GLN A 101 -12.840 -14.524 -0.713 1.00 0.00 O ATOM 1593 NE2 GLN A 101 -14.035 -12.682 -0.845 1.00 0.00 N ATOM 0 H GLN A 101 -11.107 -12.849 2.937 1.00 0.00 H new ATOM 0 HA GLN A 101 -13.409 -14.126 3.911 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.594 -14.816 1.548 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -13.209 -15.455 1.782 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -14.116 -13.103 1.806 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.500 -12.490 1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.450 -11.875 -0.380 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -14.161 -12.813 -1.849 1.00 0.00 H new ATOM 1602 N GLU A 102 -12.815 -16.260 4.959 1.00 0.00 N ATOM 1603 CA GLU A 102 -12.492 -17.503 5.651 1.00 0.00 C ATOM 1604 C GLU A 102 -13.097 -18.687 4.904 1.00 0.00 C ATOM 1605 O GLU A 102 -14.276 -18.672 4.548 1.00 0.00 O ATOM 1606 CB GLU A 102 -13.050 -17.454 7.075 1.00 0.00 C ATOM 1607 CG GLU A 102 -12.436 -16.266 7.819 1.00 0.00 C ATOM 1608 CD GLU A 102 -13.047 -16.150 9.211 1.00 0.00 C ATOM 1609 OE1 GLU A 102 -14.086 -15.521 9.329 1.00 0.00 O ATOM 1610 OE2 GLU A 102 -12.467 -16.690 10.139 1.00 0.00 O ATOM 0 H GLU A 102 -13.749 -15.899 5.155 1.00 0.00 H new ATOM 0 HA GLU A 102 -11.409 -17.622 5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -14.136 -17.360 7.049 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.823 -18.382 7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.356 -16.394 7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -12.609 -15.347 7.259 1.00 0.00 H new ATOM 1617 N GLY A 103 -12.287 -19.712 4.665 1.00 0.00 N ATOM 1618 CA GLY A 103 -12.767 -20.892 3.957 1.00 0.00 C ATOM 1619 C GLY A 103 -13.864 -20.520 2.963 1.00 0.00 C ATOM 1620 O GLY A 103 -13.670 -19.657 2.104 1.00 0.00 O ATOM 0 H GLY A 103 -11.307 -19.750 4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -11.939 -21.367 3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -13.150 -21.620 4.672 1.00 0.00 H new ATOM 1624 N ILE A 104 -15.014 -21.176 3.083 1.00 0.00 N ATOM 1625 CA ILE A 104 -16.138 -20.908 2.191 1.00 0.00 C ATOM 1626 C ILE A 104 -17.337 -20.385 2.975 1.00 0.00 C ATOM 1627 O ILE A 104 -17.663 -20.900 4.043 1.00 0.00 O ATOM 1628 CB ILE A 104 -16.542 -22.185 1.458 1.00 0.00 C ATOM 1629 CG1 ILE A 104 -17.717 -21.882 0.526 1.00 0.00 C ATOM 1630 CG2 ILE A 104 -16.964 -23.247 2.474 1.00 0.00 C ATOM 1631 CD1 ILE A 104 -18.002 -23.099 -0.355 1.00 0.00 C ATOM 0 H ILE A 104 -15.192 -21.894 3.785 1.00 0.00 H new ATOM 0 HA ILE A 104 -15.825 -20.152 1.471 1.00 0.00 H new ATOM 0 HB ILE A 104 -15.697 -22.554 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -18.602 -21.629 1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -17.487 -21.017 -0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -17.252 -24.158 1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -16.131 -23.462 3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -17.810 -22.879 3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -18.839 -22.880 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -17.119 -23.332 -0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -18.251 -23.953 0.274 1.00 0.00 H new ATOM 1643 N PHE A 105 -17.996 -19.366 2.435 1.00 0.00 N ATOM 1644 CA PHE A 105 -19.163 -18.791 3.095 1.00 0.00 C ATOM 1645 C PHE A 105 -18.816 -18.353 4.514 1.00 0.00 C ATOM 1646 O PHE A 105 -18.572 -19.220 5.338 1.00 0.00 O ATOM 1647 CB PHE A 105 -20.292 -19.827 3.141 1.00 0.00 C ATOM 1648 CG PHE A 105 -21.496 -19.315 2.378 1.00 0.00 C ATOM 1649 CD1 PHE A 105 -22.449 -18.519 3.026 1.00 0.00 C ATOM 1650 CD2 PHE A 105 -21.656 -19.637 1.025 1.00 0.00 C ATOM 1651 CE1 PHE A 105 -23.562 -18.047 2.321 1.00 0.00 C ATOM 1652 CE2 PHE A 105 -22.770 -19.164 0.321 1.00 0.00 C ATOM 1653 CZ PHE A 105 -23.723 -18.369 0.968 1.00 0.00 C ATOM 1654 OXT PHE A 105 -18.796 -17.157 4.756 1.00 0.00 O ATOM 0 H PHE A 105 -17.746 -18.924 1.550 1.00 0.00 H new ATOM 0 HA PHE A 105 -19.488 -17.918 2.528 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -19.951 -20.768 2.710 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -20.567 -20.032 4.176 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -22.325 -18.270 4.069 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -20.921 -20.250 0.525 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -24.297 -17.434 2.821 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -22.894 -19.413 -0.723 1.00 0.00 H new ATOM 0 HZ PHE A 105 -24.582 -18.004 0.424 1.00 0.00 H new TER 1664 PHE A 105