USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 674 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 18 LYS NZ :NH3+ -152:sc= 1.22 (180deg=0) USER MOD Set 1.2: A 75 ASN : amide:sc= 1.02 K(o=2.2,f=-9.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0213 (180deg=-0.199) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.201 K(o=-0.2,f=-5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 87:sc= 0.439 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 21 GLN :FLIP amide:sc= 0 F(o=-0.94,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0079 USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -0.772! (180deg=-1.89!) USER MOD Single : A 40 CYS SG : rot 11:sc= 1.29 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 55 THR OG1 : rot 35:sc= 0.0812 USER MOD Single : A 56 SER OG : rot -126:sc= 0.691 USER MOD Single : A 57 THR OG1 : rot -10:sc= 0.618 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.077 K(o=-0.077,f=-0.8) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 69 MET CE :methyl -178:sc= -1.37 (180deg=-1.39) USER MOD Single : A 70 CYS SG : rot 65:sc= 0.984 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 MET CE :methyl 168:sc= -0.458 (180deg=-1.29) USER MOD Single : A 78 TYR OH : rot 60:sc= -0.282 USER MOD Single : A 80 GLN : amide:sc= -0.0347 K(o=-0.035,f=-2.7) USER MOD Single : A 82 LYS NZ :NH3+ -160:sc= -0.0755 (180deg=-0.454) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.073 -14.970 -0.938 1.00 0.00 N ATOM 2 CA MET A 1 10.371 -15.125 -1.649 1.00 0.00 C ATOM 3 C MET A 1 10.972 -16.508 -1.385 1.00 0.00 C ATOM 4 O MET A 1 11.665 -17.074 -2.239 1.00 0.00 O ATOM 5 CB MET A 1 11.352 -14.031 -1.206 1.00 0.00 C ATOM 6 CG MET A 1 12.712 -14.100 -1.890 1.00 0.00 C ATOM 7 SD MET A 1 13.824 -12.773 -1.372 1.00 0.00 S ATOM 8 CE MET A 1 15.314 -13.215 -2.269 1.00 0.00 C ATOM 0 H1 MET A 1 8.579 -14.129 -1.297 1.00 0.00 H new ATOM 0 H2 MET A 1 8.485 -15.813 -1.101 1.00 0.00 H new ATOM 0 H3 MET A 1 9.247 -14.860 0.082 1.00 0.00 H new ATOM 0 HA MET A 1 10.189 -15.026 -2.719 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.906 -13.056 -1.405 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.496 -14.102 -0.128 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.175 -15.062 -1.671 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.573 -14.051 -2.970 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.097 -12.489 -2.053 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.644 -14.207 -1.960 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.107 -13.218 -3.339 1.00 0.00 H new ATOM 17 N GLY A 2 10.704 -17.046 -0.203 1.00 0.00 N ATOM 18 CA GLY A 2 11.221 -18.352 0.150 1.00 0.00 C ATOM 19 C GLY A 2 10.527 -19.466 -0.605 1.00 0.00 C ATOM 20 O GLY A 2 11.129 -20.113 -1.465 1.00 0.00 O ATOM 0 H GLY A 2 10.137 -16.600 0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 2 12.290 -18.386 -0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.100 -18.511 1.221 1.00 0.00 H new ATOM 24 N ARG A 3 9.266 -19.680 -0.288 1.00 0.00 N ATOM 25 CA ARG A 3 8.469 -20.709 -0.931 1.00 0.00 C ATOM 26 C ARG A 3 7.012 -20.270 -0.996 1.00 0.00 C ATOM 27 O ARG A 3 6.529 -19.577 -0.101 1.00 0.00 O ATOM 28 CB ARG A 3 8.600 -22.060 -0.191 1.00 0.00 C ATOM 29 CG ARG A 3 8.237 -22.010 1.296 1.00 0.00 C ATOM 30 CD ARG A 3 9.434 -21.633 2.172 1.00 0.00 C ATOM 31 NE ARG A 3 10.451 -22.692 2.195 1.00 0.00 N ATOM 32 CZ ARG A 3 11.524 -22.706 3.003 1.00 0.00 C ATOM 33 NH1 ARG A 3 11.739 -21.708 3.861 1.00 0.00 N ATOM 34 NH2 ARG A 3 12.378 -23.721 2.950 1.00 0.00 N ATOM 0 H ARG A 3 8.764 -19.147 0.422 1.00 0.00 H new ATOM 0 HA ARG A 3 8.842 -20.851 -1.945 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.960 -22.792 -0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 3 9.626 -22.415 -0.289 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.436 -21.287 1.448 1.00 0.00 H new ATOM 0 HG3 ARG A 3 7.853 -22.982 1.607 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.879 -20.710 1.800 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.092 -21.436 3.188 1.00 0.00 H new ATOM 0 HE ARG A 3 10.334 -23.474 1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.086 -20.926 3.907 1.00 0.00 H new ATOM 0 HH12 ARG A 3 12.556 -21.727 4.471 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.219 -24.488 2.297 1.00 0.00 H new ATOM 0 HH22 ARG A 3 13.194 -23.734 3.563 1.00 0.00 H new ATOM 48 N LEU A 4 6.326 -20.661 -2.058 1.00 0.00 N ATOM 49 CA LEU A 4 4.930 -20.295 -2.262 1.00 0.00 C ATOM 50 C LEU A 4 4.122 -21.516 -2.666 1.00 0.00 C ATOM 51 O LEU A 4 4.687 -22.531 -3.072 1.00 0.00 O ATOM 52 CB LEU A 4 4.814 -19.221 -3.347 1.00 0.00 C ATOM 53 CG LEU A 4 5.482 -17.878 -3.042 1.00 0.00 C ATOM 54 CD1 LEU A 4 5.410 -16.970 -4.254 1.00 0.00 C ATOM 55 CD2 LEU A 4 4.827 -17.212 -1.838 1.00 0.00 C ATOM 0 H LEU A 4 6.718 -21.239 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 4 4.537 -19.898 -1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.244 -19.616 -4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.756 -19.042 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 4 6.530 -18.060 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.888 -16.018 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.923 -17.441 -5.092 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.367 -16.797 -4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.317 -16.259 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.771 -17.041 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.924 -17.859 -0.967 1.00 0.00 H new ATOM 67 N TYR A 5 2.806 -21.427 -2.542 1.00 0.00 N ATOM 68 CA TYR A 5 1.946 -22.529 -2.940 1.00 0.00 C ATOM 69 C TYR A 5 0.620 -22.013 -3.493 1.00 0.00 C ATOM 70 O TYR A 5 0.371 -22.076 -4.697 1.00 0.00 O ATOM 71 CB TYR A 5 1.697 -23.480 -1.764 1.00 0.00 C ATOM 72 CG TYR A 5 0.990 -24.755 -2.161 1.00 0.00 C ATOM 73 CD1 TYR A 5 1.682 -25.779 -2.786 1.00 0.00 C ATOM 74 CD2 TYR A 5 -0.367 -24.932 -1.916 1.00 0.00 C ATOM 75 CE1 TYR A 5 1.051 -26.945 -3.157 1.00 0.00 C ATOM 76 CE2 TYR A 5 -1.008 -26.098 -2.285 1.00 0.00 C ATOM 77 CZ TYR A 5 -0.292 -27.101 -2.907 1.00 0.00 C ATOM 78 OH TYR A 5 -0.923 -28.265 -3.282 1.00 0.00 O ATOM 0 H TYR A 5 2.316 -20.612 -2.173 1.00 0.00 H new ATOM 0 HA TYR A 5 2.456 -23.082 -3.729 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.652 -23.732 -1.302 1.00 0.00 H new ATOM 0 HB3 TYR A 5 1.103 -22.964 -1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.737 -25.661 -2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.927 -24.147 -1.430 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.608 -27.733 -3.642 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.062 -26.224 -2.088 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.870 -28.218 -3.034 1.00 0.00 H new ATOM 88 N SER A 6 -0.219 -21.495 -2.615 1.00 0.00 N ATOM 89 CA SER A 6 -1.520 -20.982 -3.005 1.00 0.00 C ATOM 90 C SER A 6 -1.393 -19.588 -3.628 1.00 0.00 C ATOM 91 O SER A 6 -0.379 -18.903 -3.440 1.00 0.00 O ATOM 92 CB SER A 6 -2.449 -20.953 -1.792 1.00 0.00 C ATOM 93 OG SER A 6 -2.586 -22.252 -1.231 1.00 0.00 O ATOM 0 H SER A 6 -0.020 -21.418 -1.618 1.00 0.00 H new ATOM 0 HA SER A 6 -1.947 -21.644 -3.759 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.054 -20.268 -1.042 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.428 -20.574 -2.087 1.00 0.00 H new ATOM 0 HG SER A 6 -3.183 -22.212 -0.455 1.00 0.00 H new ATOM 99 N GLY A 7 -2.406 -19.191 -4.389 1.00 0.00 N ATOM 100 CA GLY A 7 -2.403 -17.884 -5.016 1.00 0.00 C ATOM 101 C GLY A 7 -2.550 -16.761 -4.007 1.00 0.00 C ATOM 102 O GLY A 7 -3.243 -16.915 -2.996 1.00 0.00 O ATOM 0 H GLY A 7 -3.233 -19.755 -4.583 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.474 -17.752 -5.571 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.217 -17.829 -5.739 1.00 0.00 H new ATOM 106 N ASN A 8 -1.925 -15.627 -4.301 1.00 0.00 N ATOM 107 CA ASN A 8 -1.928 -14.469 -3.396 1.00 0.00 C ATOM 108 C ASN A 8 -1.229 -13.263 -4.028 1.00 0.00 C ATOM 109 O ASN A 8 -1.736 -12.137 -3.979 1.00 0.00 O ATOM 110 CB ASN A 8 -1.271 -14.818 -2.032 1.00 0.00 C ATOM 111 CG ASN A 8 0.197 -15.252 -2.135 1.00 0.00 C ATOM 112 OD1 ASN A 8 0.642 -15.776 -3.156 1.00 0.00 O ATOM 113 ND2 ASN A 8 0.946 -15.044 -1.067 1.00 0.00 N ATOM 0 H ASN A 8 -1.404 -15.478 -5.165 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.970 -14.204 -3.218 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.336 -13.949 -1.377 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.842 -15.617 -1.560 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.928 -15.320 -1.071 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.543 -14.607 -0.238 1.00 0.00 H new ATOM 120 N LEU A 9 -0.081 -13.513 -4.633 1.00 0.00 N ATOM 121 CA LEU A 9 0.711 -12.453 -5.248 1.00 0.00 C ATOM 122 C LEU A 9 0.004 -11.839 -6.441 1.00 0.00 C ATOM 123 O LEU A 9 0.253 -10.694 -6.782 1.00 0.00 O ATOM 124 CB LEU A 9 2.110 -12.919 -5.642 1.00 0.00 C ATOM 125 CG LEU A 9 3.014 -13.358 -4.489 1.00 0.00 C ATOM 126 CD1 LEU A 9 4.405 -13.689 -5.007 1.00 0.00 C ATOM 127 CD2 LEU A 9 3.081 -12.281 -3.410 1.00 0.00 C ATOM 0 H LEU A 9 0.328 -14.444 -4.714 1.00 0.00 H new ATOM 0 HA LEU A 9 0.824 -11.684 -4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.012 -13.751 -6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.605 -12.109 -6.179 1.00 0.00 H new ATOM 0 HG LEU A 9 2.588 -14.256 -4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.038 -14.000 -4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.339 -14.497 -5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.836 -12.807 -5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.730 -12.616 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.481 -11.362 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.081 -12.095 -3.019 1.00 0.00 H new ATOM 139 N ALA A 10 -0.873 -12.602 -7.073 1.00 0.00 N ATOM 140 CA ALA A 10 -1.621 -12.108 -8.222 1.00 0.00 C ATOM 141 C ALA A 10 -2.369 -10.817 -7.866 1.00 0.00 C ATOM 142 O ALA A 10 -2.288 -9.820 -8.590 1.00 0.00 O ATOM 143 CB ALA A 10 -2.594 -13.169 -8.709 1.00 0.00 C ATOM 0 H ALA A 10 -1.086 -13.565 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.917 -11.884 -9.024 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.147 -12.789 -9.568 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.042 -14.063 -9.000 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.292 -13.418 -7.909 1.00 0.00 H new ATOM 149 N ALA A 11 -3.082 -10.839 -6.744 1.00 0.00 N ATOM 150 CA ALA A 11 -3.802 -9.661 -6.269 1.00 0.00 C ATOM 151 C ALA A 11 -2.828 -8.599 -5.756 1.00 0.00 C ATOM 152 O ALA A 11 -3.013 -7.404 -5.986 1.00 0.00 O ATOM 153 CB ALA A 11 -4.788 -10.050 -5.170 1.00 0.00 C ATOM 0 H ALA A 11 -3.177 -11.660 -6.146 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.358 -9.239 -7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.318 -9.162 -4.825 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.505 -10.771 -5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.246 -10.496 -4.336 1.00 0.00 H new ATOM 159 N PHE A 12 -1.800 -9.058 -5.052 1.00 0.00 N ATOM 160 CA PHE A 12 -0.786 -8.177 -4.473 1.00 0.00 C ATOM 161 C PHE A 12 -0.051 -7.344 -5.539 1.00 0.00 C ATOM 162 O PHE A 12 0.079 -6.127 -5.394 1.00 0.00 O ATOM 163 CB PHE A 12 0.225 -9.006 -3.664 1.00 0.00 C ATOM 164 CG PHE A 12 1.305 -8.195 -2.993 1.00 0.00 C ATOM 165 CD1 PHE A 12 1.042 -7.500 -1.823 1.00 0.00 C ATOM 166 CD2 PHE A 12 2.581 -8.136 -3.532 1.00 0.00 C ATOM 167 CE1 PHE A 12 2.033 -6.760 -1.205 1.00 0.00 C ATOM 168 CE2 PHE A 12 3.575 -7.397 -2.918 1.00 0.00 C ATOM 169 CZ PHE A 12 3.300 -6.708 -1.753 1.00 0.00 C ATOM 0 H PHE A 12 -1.644 -10.048 -4.865 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.302 -7.476 -3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.314 -9.570 -2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.693 -9.733 -4.328 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.053 -7.537 -1.390 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.801 -8.674 -4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.817 -6.222 -0.294 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.565 -7.359 -3.349 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.074 -6.129 -1.271 1.00 0.00 H new ATOM 179 N LYS A 13 0.407 -7.992 -6.619 1.00 0.00 N ATOM 180 CA LYS A 13 1.176 -7.313 -7.667 1.00 0.00 C ATOM 181 C LYS A 13 0.386 -6.186 -8.332 1.00 0.00 C ATOM 182 O LYS A 13 0.951 -5.148 -8.674 1.00 0.00 O ATOM 183 CB LYS A 13 1.616 -8.314 -8.743 1.00 0.00 C ATOM 184 CG LYS A 13 2.596 -9.380 -8.260 1.00 0.00 C ATOM 185 CD LYS A 13 3.003 -10.318 -9.397 1.00 0.00 C ATOM 186 CE LYS A 13 1.816 -11.112 -9.925 1.00 0.00 C ATOM 187 NZ LYS A 13 2.222 -12.133 -10.925 1.00 0.00 N ATOM 0 H LYS A 13 0.257 -8.987 -6.788 1.00 0.00 H new ATOM 0 HA LYS A 13 2.048 -6.876 -7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.731 -8.808 -9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.074 -7.765 -9.565 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.483 -8.900 -7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.141 -9.957 -7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.442 -9.737 -10.208 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.772 -11.005 -9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.310 -11.602 -9.093 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.097 -10.429 -10.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.381 -12.648 -11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.681 -11.665 -11.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.888 -12.802 -10.488 1.00 0.00 H new ATOM 201 N ALA A 14 -0.912 -6.397 -8.506 1.00 0.00 N ATOM 202 CA ALA A 14 -1.777 -5.436 -9.202 1.00 0.00 C ATOM 203 C ALA A 14 -1.750 -4.044 -8.554 1.00 0.00 C ATOM 204 O ALA A 14 -1.964 -3.029 -9.231 1.00 0.00 O ATOM 205 CB ALA A 14 -3.205 -5.963 -9.259 1.00 0.00 C ATOM 0 H ALA A 14 -1.398 -7.230 -8.174 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.387 -5.325 -10.214 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.838 -5.243 -9.777 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.221 -6.912 -9.795 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.579 -6.112 -8.246 1.00 0.00 H new ATOM 211 N ALA A 15 -1.494 -3.999 -7.253 1.00 0.00 N ATOM 212 CA ALA A 15 -1.432 -2.737 -6.520 1.00 0.00 C ATOM 213 C ALA A 15 -0.235 -1.880 -6.961 1.00 0.00 C ATOM 214 O ALA A 15 -0.294 -0.648 -6.924 1.00 0.00 O ATOM 215 CB ALA A 15 -1.380 -2.998 -5.024 1.00 0.00 C ATOM 0 H ALA A 15 -1.325 -4.825 -6.679 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.337 -2.175 -6.750 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.334 -2.049 -4.490 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.273 -3.543 -4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.495 -3.590 -4.788 1.00 0.00 H new ATOM 221 N THR A 16 0.825 -2.546 -7.406 1.00 0.00 N ATOM 222 CA THR A 16 2.076 -1.887 -7.796 1.00 0.00 C ATOM 223 C THR A 16 1.865 -0.877 -8.931 1.00 0.00 C ATOM 224 O THR A 16 2.358 0.255 -8.868 1.00 0.00 O ATOM 225 CB THR A 16 3.115 -2.932 -8.253 1.00 0.00 C ATOM 226 OG1 THR A 16 3.198 -3.980 -7.283 1.00 0.00 O ATOM 227 CG2 THR A 16 4.491 -2.299 -8.431 1.00 0.00 C ATOM 0 H THR A 16 0.846 -3.561 -7.508 1.00 0.00 H new ATOM 0 HA THR A 16 2.438 -1.353 -6.917 1.00 0.00 H new ATOM 0 HB THR A 16 2.794 -3.335 -9.213 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.520 -4.660 -7.478 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.202 -3.059 -8.753 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.435 -1.512 -9.183 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.821 -1.872 -7.484 1.00 0.00 H new ATOM 235 N ASN A 17 1.118 -1.283 -9.948 1.00 0.00 N ATOM 236 CA ASN A 17 0.875 -0.428 -11.113 1.00 0.00 C ATOM 237 C ASN A 17 0.097 0.822 -10.722 1.00 0.00 C ATOM 238 O ASN A 17 0.323 1.904 -11.261 1.00 0.00 O ATOM 239 CB ASN A 17 0.127 -1.195 -12.212 1.00 0.00 C ATOM 240 CG ASN A 17 0.050 -0.416 -13.521 1.00 0.00 C ATOM 241 OD1 ASN A 17 0.942 0.364 -13.844 1.00 0.00 O ATOM 242 ND2 ASN A 17 -1.008 -0.628 -14.279 1.00 0.00 N ATOM 0 H ASN A 17 0.668 -2.197 -9.995 1.00 0.00 H new ATOM 0 HA ASN A 17 1.845 -0.122 -11.504 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.626 -2.148 -12.389 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.882 -1.423 -11.869 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.106 -0.136 -15.167 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.729 -1.284 -13.977 1.00 0.00 H new ATOM 249 N LYS A 18 -0.799 0.674 -9.757 1.00 0.00 N ATOM 250 CA LYS A 18 -1.640 1.778 -9.345 1.00 0.00 C ATOM 251 C LYS A 18 -0.821 2.814 -8.574 1.00 0.00 C ATOM 252 O LYS A 18 -1.014 4.019 -8.731 1.00 0.00 O ATOM 253 CB LYS A 18 -2.846 1.292 -8.540 1.00 0.00 C ATOM 254 CG LYS A 18 -3.794 0.419 -9.357 1.00 0.00 C ATOM 255 CD LYS A 18 -5.082 0.113 -8.606 1.00 0.00 C ATOM 256 CE LYS A 18 -4.844 -0.744 -7.376 1.00 0.00 C ATOM 257 NZ LYS A 18 -6.109 -1.012 -6.646 1.00 0.00 N ATOM 0 H LYS A 18 -0.959 -0.196 -9.250 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.033 2.261 -10.239 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.496 0.728 -7.675 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.393 2.154 -8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.032 0.922 -10.294 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.295 -0.515 -9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.557 1.048 -8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.776 -0.398 -9.273 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.387 -1.688 -7.672 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.139 -0.243 -6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.903 -1.159 -5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.751 -0.201 -6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.560 -1.865 -7.035 1.00 0.00 H new ATOM 271 N LEU A 19 0.114 2.317 -7.756 1.00 0.00 N ATOM 272 CA LEU A 19 0.981 3.167 -6.930 1.00 0.00 C ATOM 273 C LEU A 19 1.828 4.079 -7.817 1.00 0.00 C ATOM 274 O LEU A 19 1.979 5.277 -7.546 1.00 0.00 O ATOM 275 CB LEU A 19 1.925 2.287 -6.101 1.00 0.00 C ATOM 276 CG LEU A 19 1.286 1.427 -5.004 1.00 0.00 C ATOM 277 CD1 LEU A 19 2.290 0.410 -4.483 1.00 0.00 C ATOM 278 CD2 LEU A 19 0.786 2.298 -3.860 1.00 0.00 C ATOM 0 H LEU A 19 0.291 1.318 -7.648 1.00 0.00 H new ATOM 0 HA LEU A 19 0.352 3.771 -6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.459 1.625 -6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.670 2.933 -5.635 1.00 0.00 H new ATOM 0 HG LEU A 19 0.435 0.899 -5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.825 -0.195 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.612 -0.235 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.154 0.930 -4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.336 1.668 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.622 2.851 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.041 3.000 -4.236 1.00 0.00 H new ATOM 290 N PHE A 20 2.363 3.496 -8.882 1.00 0.00 N ATOM 291 CA PHE A 20 3.179 4.227 -9.843 1.00 0.00 C ATOM 292 C PHE A 20 2.372 5.338 -10.485 1.00 0.00 C ATOM 293 O PHE A 20 2.859 6.453 -10.663 1.00 0.00 O ATOM 294 CB PHE A 20 3.721 3.280 -10.926 1.00 0.00 C ATOM 295 CG PHE A 20 4.508 3.981 -12.002 1.00 0.00 C ATOM 296 CD1 PHE A 20 5.794 4.435 -11.760 1.00 0.00 C ATOM 297 CD2 PHE A 20 3.951 4.193 -13.256 1.00 0.00 C ATOM 298 CE1 PHE A 20 6.510 5.085 -12.748 1.00 0.00 C ATOM 299 CE2 PHE A 20 4.662 4.841 -14.247 1.00 0.00 C ATOM 300 CZ PHE A 20 5.943 5.289 -13.992 1.00 0.00 C ATOM 0 H PHE A 20 2.244 2.507 -9.104 1.00 0.00 H new ATOM 0 HA PHE A 20 4.022 4.665 -9.309 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.355 2.528 -10.455 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.886 2.751 -11.385 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.242 4.280 -10.790 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.948 3.847 -13.459 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.512 5.433 -12.548 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.217 4.997 -15.219 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.501 5.798 -14.764 1.00 0.00 H new ATOM 310 N GLN A 21 1.137 5.026 -10.819 1.00 0.00 N ATOM 311 CA GLN A 21 0.263 5.952 -11.510 1.00 0.00 C ATOM 312 C GLN A 21 -0.053 7.225 -10.721 1.00 0.00 C ATOM 313 O GLN A 21 -0.592 8.169 -11.298 1.00 0.00 O ATOM 314 CB GLN A 21 -1.032 5.265 -11.937 1.00 0.00 C ATOM 315 CG GLN A 21 -0.853 4.275 -13.077 1.00 0.00 C ATOM 316 CD GLN A 21 -2.145 3.578 -13.472 1.00 0.00 C ATOM 317 OE1 GLN A 21 -3.034 3.374 -12.517 1.00 0.00 O flip ATOM 318 NE2 GLN A 21 -2.333 3.216 -14.631 1.00 0.00 N flip ATOM 0 H GLN A 21 0.710 4.122 -10.619 1.00 0.00 H new ATOM 0 HA GLN A 21 0.821 6.270 -12.391 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.456 4.744 -11.079 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.754 6.025 -12.237 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.450 4.798 -13.944 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.117 3.525 -12.787 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.623 3.391 -15.342 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.199 2.740 -14.882 1.00 0.00 H new ATOM 327 N LEU A 22 0.268 7.297 -9.423 1.00 0.00 N ATOM 328 CA LEU A 22 -0.018 8.504 -8.662 1.00 0.00 C ATOM 329 C LEU A 22 1.307 9.192 -8.270 1.00 0.00 C ATOM 330 O LEU A 22 1.314 10.242 -7.619 1.00 0.00 O ATOM 331 CB LEU A 22 -0.852 8.157 -7.415 1.00 0.00 C ATOM 332 CG LEU A 22 -1.291 9.338 -6.535 1.00 0.00 C ATOM 333 CD1 LEU A 22 -2.126 10.327 -7.333 1.00 0.00 C ATOM 334 CD2 LEU A 22 -2.072 8.837 -5.331 1.00 0.00 C ATOM 0 H LEU A 22 0.716 6.549 -8.894 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.599 9.194 -9.274 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.745 7.622 -7.739 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.274 7.468 -6.799 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.397 9.853 -6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.425 11.154 -6.689 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.538 10.711 -8.166 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.015 9.826 -7.717 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.377 9.684 -4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.957 8.298 -5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.444 8.169 -4.742 1.00 0.00 H new ATOM 346 N ASP A 23 2.422 8.564 -8.677 1.00 0.00 N ATOM 347 CA ASP A 23 3.783 9.091 -8.437 1.00 0.00 C ATOM 348 C ASP A 23 4.171 9.073 -6.955 1.00 0.00 C ATOM 349 O ASP A 23 4.493 10.113 -6.375 1.00 0.00 O ATOM 350 CB ASP A 23 3.960 10.508 -9.011 1.00 0.00 C ATOM 351 CG ASP A 23 3.830 10.562 -10.516 1.00 0.00 C ATOM 352 OD1 ASP A 23 4.589 9.849 -11.214 1.00 0.00 O ATOM 353 OD2 ASP A 23 2.979 11.329 -11.013 1.00 0.00 O ATOM 0 H ASP A 23 2.410 7.678 -9.181 1.00 0.00 H new ATOM 0 HA ASP A 23 4.457 8.416 -8.965 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.217 11.169 -8.565 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.940 10.890 -8.724 1.00 0.00 H new ATOM 358 N LEU A 24 4.123 7.898 -6.342 1.00 0.00 N ATOM 359 CA LEU A 24 4.513 7.753 -4.940 1.00 0.00 C ATOM 360 C LEU A 24 5.370 6.500 -4.733 1.00 0.00 C ATOM 361 O LEU A 24 5.459 5.649 -5.623 1.00 0.00 O ATOM 362 CB LEU A 24 3.280 7.769 -4.006 1.00 0.00 C ATOM 363 CG LEU A 24 2.123 6.819 -4.354 1.00 0.00 C ATOM 364 CD1 LEU A 24 2.486 5.375 -4.063 1.00 0.00 C ATOM 365 CD2 LEU A 24 0.872 7.214 -3.589 1.00 0.00 C ATOM 0 H LEU A 24 3.820 7.033 -6.789 1.00 0.00 H new ATOM 0 HA LEU A 24 5.126 8.614 -4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.618 7.534 -2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.887 8.785 -3.983 1.00 0.00 H new ATOM 0 HG LEU A 24 1.928 6.904 -5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.646 4.730 -4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.356 5.092 -4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.717 5.264 -3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.060 6.534 -3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.068 7.160 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.589 8.233 -3.855 1.00 0.00 H new ATOM 377 N ALA A 25 5.997 6.390 -3.568 1.00 0.00 N ATOM 378 CA ALA A 25 6.867 5.256 -3.270 1.00 0.00 C ATOM 379 C ALA A 25 6.356 4.443 -2.085 1.00 0.00 C ATOM 380 O ALA A 25 5.679 4.971 -1.199 1.00 0.00 O ATOM 381 CB ALA A 25 8.282 5.732 -3.008 1.00 0.00 C ATOM 0 H ALA A 25 5.920 7.072 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 25 6.864 4.603 -4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.919 4.875 -2.787 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.661 6.249 -3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.285 6.415 -2.158 1.00 0.00 H new ATOM 387 N VAL A 26 6.693 3.155 -2.078 1.00 0.00 N ATOM 388 CA VAL A 26 6.277 2.233 -1.020 1.00 0.00 C ATOM 389 C VAL A 26 7.452 1.327 -0.629 1.00 0.00 C ATOM 390 O VAL A 26 8.106 0.749 -1.499 1.00 0.00 O ATOM 391 CB VAL A 26 5.081 1.353 -1.475 1.00 0.00 C ATOM 392 CG1 VAL A 26 4.681 0.368 -0.387 1.00 0.00 C ATOM 393 CG2 VAL A 26 3.896 2.219 -1.867 1.00 0.00 C ATOM 0 H VAL A 26 7.262 2.720 -2.804 1.00 0.00 H new ATOM 0 HA VAL A 26 5.962 2.827 -0.162 1.00 0.00 H new ATOM 0 HB VAL A 26 5.399 0.783 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.841 -0.235 -0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.525 -0.283 -0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.390 0.915 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.069 1.583 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.586 2.820 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.182 2.877 -2.688 1.00 0.00 H new ATOM 403 N ILE A 27 7.720 1.204 0.669 1.00 0.00 N ATOM 404 CA ILE A 27 8.821 0.356 1.139 1.00 0.00 C ATOM 405 C ILE A 27 8.396 -0.547 2.305 1.00 0.00 C ATOM 406 O ILE A 27 7.759 -0.096 3.260 1.00 0.00 O ATOM 407 CB ILE A 27 10.076 1.186 1.532 1.00 0.00 C ATOM 408 CG1 ILE A 27 9.732 2.237 2.597 1.00 0.00 C ATOM 409 CG2 ILE A 27 10.701 1.839 0.302 1.00 0.00 C ATOM 410 CD1 ILE A 27 10.933 3.001 3.112 1.00 0.00 C ATOM 0 H ILE A 27 7.199 1.673 1.409 1.00 0.00 H new ATOM 0 HA ILE A 27 9.089 -0.281 0.296 1.00 0.00 H new ATOM 0 HB ILE A 27 10.809 0.504 1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.016 2.944 2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.240 1.744 3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.577 2.414 0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.999 1.067 -0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.974 2.502 -0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.610 3.725 3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.641 2.305 3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.413 3.524 2.285 1.00 0.00 H new ATOM 422 N TYR A 28 8.721 -1.827 2.196 1.00 0.00 N ATOM 423 CA TYR A 28 8.409 -2.805 3.237 1.00 0.00 C ATOM 424 C TYR A 28 9.664 -3.534 3.709 1.00 0.00 C ATOM 425 O TYR A 28 10.671 -3.584 2.995 1.00 0.00 O ATOM 426 CB TYR A 28 7.360 -3.815 2.736 1.00 0.00 C ATOM 427 CG TYR A 28 7.696 -4.444 1.394 1.00 0.00 C ATOM 428 CD1 TYR A 28 8.466 -5.599 1.312 1.00 0.00 C ATOM 429 CD2 TYR A 28 7.242 -3.876 0.208 1.00 0.00 C ATOM 430 CE1 TYR A 28 8.776 -6.165 0.088 1.00 0.00 C ATOM 431 CE2 TYR A 28 7.546 -4.435 -1.018 1.00 0.00 C ATOM 432 CZ TYR A 28 8.314 -5.577 -1.074 1.00 0.00 C ATOM 433 OH TYR A 28 8.620 -6.136 -2.295 1.00 0.00 O ATOM 0 H TYR A 28 9.206 -2.219 1.389 1.00 0.00 H new ATOM 0 HA TYR A 28 7.995 -2.263 4.087 1.00 0.00 H new ATOM 0 HB2 TYR A 28 7.249 -4.606 3.478 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.396 -3.313 2.659 1.00 0.00 H new ATOM 0 HD1 TYR A 28 8.828 -6.062 2.218 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.640 -2.980 0.247 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.376 -7.062 0.041 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.184 -3.979 -1.928 1.00 0.00 H new ATOM 0 HH TYR A 28 8.217 -5.600 -3.010 1.00 0.00 H new ATOM 443 N ASP A 29 9.591 -4.102 4.910 1.00 0.00 N ATOM 444 CA ASP A 29 10.723 -4.816 5.516 1.00 0.00 C ATOM 445 C ASP A 29 10.246 -6.029 6.303 1.00 0.00 C ATOM 446 O ASP A 29 9.164 -6.000 6.905 1.00 0.00 O ATOM 447 CB ASP A 29 11.531 -3.896 6.455 1.00 0.00 C ATOM 448 CG ASP A 29 12.319 -2.825 5.729 1.00 0.00 C ATOM 449 OD1 ASP A 29 13.321 -3.165 5.061 1.00 0.00 O ATOM 450 OD2 ASP A 29 11.953 -1.634 5.833 1.00 0.00 O ATOM 0 H ASP A 29 8.753 -4.084 5.491 1.00 0.00 H new ATOM 0 HA ASP A 29 11.365 -5.143 4.698 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.848 -3.419 7.157 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.218 -4.505 7.043 1.00 0.00 H new ATOM 455 N ASP A 30 11.055 -7.089 6.289 1.00 0.00 N ATOM 456 CA ASP A 30 10.775 -8.313 7.053 1.00 0.00 C ATOM 457 C ASP A 30 12.067 -8.999 7.465 1.00 0.00 C ATOM 458 O ASP A 30 12.873 -9.377 6.608 1.00 0.00 O ATOM 459 CB ASP A 30 9.921 -9.308 6.262 1.00 0.00 C ATOM 460 CG ASP A 30 9.858 -10.686 6.948 1.00 0.00 C ATOM 461 OD1 ASP A 30 9.536 -10.747 8.164 1.00 0.00 O ATOM 462 OD2 ASP A 30 10.136 -11.701 6.273 1.00 0.00 O ATOM 0 H ASP A 30 11.921 -7.127 5.751 1.00 0.00 H new ATOM 0 HA ASP A 30 10.217 -8.003 7.937 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.912 -8.912 6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.331 -9.421 5.259 1.00 0.00 H new ATOM 467 N TRP A 31 12.292 -9.124 8.760 1.00 0.00 N ATOM 468 CA TRP A 31 13.441 -9.850 9.258 1.00 0.00 C ATOM 469 C TRP A 31 13.024 -10.852 10.330 1.00 0.00 C ATOM 470 O TRP A 31 12.742 -10.477 11.478 1.00 0.00 O ATOM 471 CB TRP A 31 14.502 -8.895 9.816 1.00 0.00 C ATOM 472 CG TRP A 31 15.193 -8.082 8.766 1.00 0.00 C ATOM 473 CD1 TRP A 31 15.018 -6.754 8.506 1.00 0.00 C ATOM 474 CD2 TRP A 31 16.170 -8.548 7.830 1.00 0.00 C ATOM 475 NE1 TRP A 31 15.832 -6.367 7.470 1.00 0.00 N ATOM 476 CE2 TRP A 31 16.547 -7.450 7.036 1.00 0.00 C ATOM 477 CE3 TRP A 31 16.765 -9.790 7.587 1.00 0.00 C ATOM 478 CZ2 TRP A 31 17.492 -7.556 6.017 1.00 0.00 C ATOM 479 CZ3 TRP A 31 17.699 -9.894 6.576 1.00 0.00 C ATOM 480 CH2 TRP A 31 18.057 -8.783 5.803 1.00 0.00 C ATOM 0 H TRP A 31 11.692 -8.731 9.485 1.00 0.00 H new ATOM 0 HA TRP A 31 13.876 -10.393 8.419 1.00 0.00 H new ATOM 0 HB2 TRP A 31 14.031 -8.222 10.532 1.00 0.00 H new ATOM 0 HB3 TRP A 31 15.246 -9.473 10.363 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.339 -6.103 9.037 1.00 0.00 H new ATOM 0 HE1 TRP A 31 15.894 -5.424 7.086 1.00 0.00 H new ATOM 0 HE3 TRP A 31 16.498 -10.652 8.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 17.768 -6.701 5.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 18.162 -10.849 6.378 1.00 0.00 H new ATOM 0 HH2 TRP A 31 18.794 -8.897 5.022 1.00 0.00 H new ATOM 491 N TYR A 32 12.970 -12.114 9.951 1.00 0.00 N ATOM 492 CA TYR A 32 12.632 -13.182 10.877 1.00 0.00 C ATOM 493 C TYR A 32 13.903 -13.942 11.260 1.00 0.00 C ATOM 494 O TYR A 32 14.650 -14.405 10.395 1.00 0.00 O ATOM 495 CB TYR A 32 11.568 -14.122 10.264 1.00 0.00 C ATOM 496 CG TYR A 32 12.002 -14.837 8.997 1.00 0.00 C ATOM 497 CD1 TYR A 32 12.109 -14.158 7.789 1.00 0.00 C ATOM 498 CD2 TYR A 32 12.314 -16.188 9.015 1.00 0.00 C ATOM 499 CE1 TYR A 32 12.513 -14.807 6.640 1.00 0.00 C ATOM 500 CE2 TYR A 32 12.721 -16.844 7.871 1.00 0.00 C ATOM 501 CZ TYR A 32 12.819 -16.148 6.688 1.00 0.00 C ATOM 502 OH TYR A 32 13.236 -16.796 5.545 1.00 0.00 O ATOM 0 H TYR A 32 13.158 -12.429 8.999 1.00 0.00 H new ATOM 0 HA TYR A 32 12.198 -12.755 11.781 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.291 -14.868 11.009 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.672 -13.541 10.047 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.872 -13.105 7.749 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.237 -16.737 9.942 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.589 -14.266 5.709 1.00 0.00 H new ATOM 0 HE2 TYR A 32 12.961 -17.896 7.904 1.00 0.00 H new ATOM 0 HH TYR A 32 13.413 -17.738 5.749 1.00 0.00 H new ATOM 512 N ASP A 33 14.160 -14.035 12.557 1.00 0.00 N ATOM 513 CA ASP A 33 15.396 -14.640 13.057 1.00 0.00 C ATOM 514 C ASP A 33 15.495 -16.141 12.818 1.00 0.00 C ATOM 515 O ASP A 33 16.567 -16.641 12.475 1.00 0.00 O ATOM 516 CB ASP A 33 15.607 -14.342 14.541 1.00 0.00 C ATOM 517 CG ASP A 33 16.999 -14.741 15.011 1.00 0.00 C ATOM 518 OD1 ASP A 33 17.939 -13.939 14.843 1.00 0.00 O ATOM 519 OD2 ASP A 33 17.159 -15.856 15.547 1.00 0.00 O ATOM 0 H ASP A 33 13.531 -13.700 13.287 1.00 0.00 H new ATOM 0 HA ASP A 33 16.189 -14.173 12.472 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.454 -13.278 14.722 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.859 -14.876 15.128 1.00 0.00 H new ATOM 524 N ALA A 34 14.399 -16.877 12.967 1.00 0.00 N ATOM 525 CA ALA A 34 14.469 -18.323 12.892 1.00 0.00 C ATOM 526 C ALA A 34 13.510 -18.843 11.832 1.00 0.00 C ATOM 527 O ALA A 34 12.640 -18.110 11.372 1.00 0.00 O ATOM 528 CB ALA A 34 14.143 -18.925 14.251 1.00 0.00 C ATOM 0 H ALA A 34 13.467 -16.499 13.138 1.00 0.00 H new ATOM 0 HA ALA A 34 15.480 -18.617 12.611 1.00 0.00 H new ATOM 0 HB1 ALA A 34 14.197 -20.012 14.190 1.00 0.00 H new ATOM 0 HB2 ALA A 34 14.861 -18.567 14.989 1.00 0.00 H new ATOM 0 HB3 ALA A 34 13.138 -18.628 14.549 1.00 0.00 H new ATOM 534 N TYR A 35 13.644 -20.112 11.477 1.00 0.00 N ATOM 535 CA TYR A 35 12.826 -20.682 10.407 1.00 0.00 C ATOM 536 C TYR A 35 11.556 -21.333 10.944 1.00 0.00 C ATOM 537 O TYR A 35 10.648 -21.656 10.182 1.00 0.00 O ATOM 538 CB TYR A 35 13.631 -21.667 9.531 1.00 0.00 C ATOM 539 CG TYR A 35 14.186 -22.875 10.260 1.00 0.00 C ATOM 540 CD1 TYR A 35 13.423 -24.024 10.426 1.00 0.00 C ATOM 541 CD2 TYR A 35 15.479 -22.871 10.760 1.00 0.00 C ATOM 542 CE1 TYR A 35 13.933 -25.133 11.073 1.00 0.00 C ATOM 543 CE2 TYR A 35 15.994 -23.971 11.411 1.00 0.00 C ATOM 544 CZ TYR A 35 15.218 -25.100 11.564 1.00 0.00 C ATOM 545 OH TYR A 35 15.734 -26.208 12.199 1.00 0.00 O ATOM 0 H TYR A 35 14.302 -20.763 11.906 1.00 0.00 H new ATOM 0 HA TYR A 35 12.521 -19.851 9.771 1.00 0.00 H new ATOM 0 HB2 TYR A 35 12.990 -22.015 8.721 1.00 0.00 H new ATOM 0 HB3 TYR A 35 14.460 -21.127 9.073 1.00 0.00 H new ATOM 0 HD1 TYR A 35 12.414 -24.051 10.043 1.00 0.00 H new ATOM 0 HD2 TYR A 35 16.093 -21.991 10.637 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.328 -26.019 11.193 1.00 0.00 H new ATOM 0 HE2 TYR A 35 17.001 -23.949 11.800 1.00 0.00 H new ATOM 0 HH TYR A 35 16.653 -26.023 12.485 1.00 0.00 H new ATOM 555 N THR A 36 11.491 -21.511 12.246 1.00 0.00 N ATOM 556 CA THR A 36 10.321 -22.108 12.871 1.00 0.00 C ATOM 557 C THR A 36 9.390 -21.038 13.435 1.00 0.00 C ATOM 558 O THR A 36 8.354 -21.351 14.029 1.00 0.00 O ATOM 559 CB THR A 36 10.731 -23.079 13.991 1.00 0.00 C ATOM 560 OG1 THR A 36 11.768 -22.487 14.787 1.00 0.00 O ATOM 561 CG2 THR A 36 11.214 -24.400 13.417 1.00 0.00 C ATOM 0 H THR A 36 12.233 -21.252 12.896 1.00 0.00 H new ATOM 0 HA THR A 36 9.788 -22.663 12.099 1.00 0.00 H new ATOM 0 HB THR A 36 9.858 -23.276 14.613 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.026 -23.107 15.501 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.498 -25.068 14.230 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.415 -24.857 12.834 1.00 0.00 H new ATOM 0 HG23 THR A 36 12.077 -24.224 12.775 1.00 0.00 H new ATOM 569 N ARG A 37 9.759 -19.779 13.241 1.00 0.00 N ATOM 570 CA ARG A 37 8.976 -18.660 13.747 1.00 0.00 C ATOM 571 C ARG A 37 8.146 -18.016 12.640 1.00 0.00 C ATOM 572 O ARG A 37 8.425 -18.197 11.454 1.00 0.00 O ATOM 573 CB ARG A 37 9.876 -17.616 14.413 1.00 0.00 C ATOM 574 CG ARG A 37 10.528 -18.095 15.703 1.00 0.00 C ATOM 575 CD ARG A 37 11.449 -17.035 16.290 1.00 0.00 C ATOM 576 NE ARG A 37 10.723 -15.813 16.658 1.00 0.00 N ATOM 577 CZ ARG A 37 11.298 -14.721 17.170 1.00 0.00 C ATOM 578 NH1 ARG A 37 12.605 -14.702 17.405 1.00 0.00 N ATOM 579 NH2 ARG A 37 10.564 -13.651 17.450 1.00 0.00 N ATOM 0 H ARG A 37 10.601 -19.506 12.734 1.00 0.00 H new ATOM 0 HA ARG A 37 8.291 -19.055 14.498 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.656 -17.322 13.711 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.286 -16.724 14.625 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.756 -18.350 16.429 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.096 -19.005 15.509 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.949 -17.438 17.171 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.226 -16.790 15.566 1.00 0.00 H new ATOM 0 HE ARG A 37 9.713 -15.797 16.513 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.173 -15.523 17.195 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.041 -13.867 17.796 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.559 -13.662 17.274 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.005 -12.818 17.841 1.00 0.00 H new ATOM 593 N LYS A 38 7.125 -17.270 13.044 1.00 0.00 N ATOM 594 CA LYS A 38 6.215 -16.615 12.111 1.00 0.00 C ATOM 595 C LYS A 38 6.838 -15.345 11.508 1.00 0.00 C ATOM 596 O LYS A 38 7.581 -14.622 12.179 1.00 0.00 O ATOM 597 CB LYS A 38 4.887 -16.274 12.818 1.00 0.00 C ATOM 598 CG LYS A 38 3.837 -15.631 11.913 1.00 0.00 C ATOM 599 CD LYS A 38 3.377 -16.584 10.814 1.00 0.00 C ATOM 600 CE LYS A 38 2.259 -15.975 9.977 1.00 0.00 C ATOM 601 NZ LYS A 38 2.715 -14.780 9.212 1.00 0.00 N ATOM 0 H LYS A 38 6.904 -17.102 14.026 1.00 0.00 H new ATOM 0 HA LYS A 38 6.020 -17.308 11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.472 -17.187 13.244 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.095 -15.600 13.649 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.979 -15.325 12.512 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.249 -14.728 11.462 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.221 -16.832 10.170 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.032 -17.516 11.261 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.877 -16.724 9.283 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.432 -15.693 10.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.890 -14.217 8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.337 -14.201 9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.237 -15.087 8.367 1.00 0.00 H new ATOM 615 N ASP A 39 6.519 -15.099 10.244 1.00 0.00 N ATOM 616 CA ASP A 39 6.998 -13.924 9.498 1.00 0.00 C ATOM 617 C ASP A 39 6.281 -12.643 9.947 1.00 0.00 C ATOM 618 O ASP A 39 5.283 -12.697 10.691 1.00 0.00 O ATOM 619 CB ASP A 39 6.749 -14.136 8.000 1.00 0.00 C ATOM 620 CG ASP A 39 5.292 -14.454 7.708 1.00 0.00 C ATOM 621 OD1 ASP A 39 4.900 -15.642 7.824 1.00 0.00 O ATOM 622 OD2 ASP A 39 4.518 -13.533 7.408 1.00 0.00 O ATOM 0 H ASP A 39 5.915 -15.711 9.695 1.00 0.00 H new ATOM 0 HA ASP A 39 8.064 -13.810 9.696 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.042 -13.240 7.453 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.378 -14.950 7.639 1.00 0.00 H new ATOM 627 N CYS A 40 6.788 -11.504 9.489 1.00 0.00 N ATOM 628 CA CYS A 40 6.224 -10.204 9.826 1.00 0.00 C ATOM 629 C CYS A 40 6.303 -9.271 8.616 1.00 0.00 C ATOM 630 O CYS A 40 7.164 -9.431 7.771 1.00 0.00 O ATOM 631 CB CYS A 40 6.995 -9.598 10.998 1.00 0.00 C ATOM 632 SG CYS A 40 8.777 -9.462 10.711 1.00 0.00 S ATOM 0 H CYS A 40 7.601 -11.457 8.874 1.00 0.00 H new ATOM 0 HA CYS A 40 5.179 -10.330 10.109 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.594 -8.607 11.210 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.825 -10.207 11.886 1.00 0.00 H new ATOM 0 HG CYS A 40 9.034 -9.701 9.459 1.00 0.00 H new ATOM 638 N ILE A 41 5.401 -8.308 8.526 1.00 0.00 N ATOM 639 CA ILE A 41 5.427 -7.377 7.403 1.00 0.00 C ATOM 640 C ILE A 41 5.177 -5.944 7.865 1.00 0.00 C ATOM 641 O ILE A 41 4.123 -5.638 8.421 1.00 0.00 O ATOM 642 CB ILE A 41 4.381 -7.758 6.314 1.00 0.00 C ATOM 643 CG1 ILE A 41 4.696 -9.141 5.721 1.00 0.00 C ATOM 644 CG2 ILE A 41 4.342 -6.703 5.212 1.00 0.00 C ATOM 645 CD1 ILE A 41 3.629 -9.669 4.787 1.00 0.00 C ATOM 0 H ILE A 41 4.654 -8.149 9.202 1.00 0.00 H new ATOM 0 HA ILE A 41 6.424 -7.443 6.967 1.00 0.00 H new ATOM 0 HB ILE A 41 3.399 -7.800 6.785 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.642 -9.087 5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.834 -9.851 6.536 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.605 -6.988 4.461 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.069 -5.739 5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.324 -6.627 4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.926 -10.648 4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.686 -9.758 5.326 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.505 -8.982 3.950 1.00 0.00 H new ATOM 657 N ARG A 42 6.154 -5.066 7.664 1.00 0.00 N ATOM 658 CA ARG A 42 5.968 -3.655 7.980 1.00 0.00 C ATOM 659 C ARG A 42 5.881 -2.857 6.685 1.00 0.00 C ATOM 660 O ARG A 42 6.704 -3.039 5.791 1.00 0.00 O ATOM 661 CB ARG A 42 7.118 -3.127 8.842 1.00 0.00 C ATOM 662 CG ARG A 42 7.316 -3.896 10.135 1.00 0.00 C ATOM 663 CD ARG A 42 8.371 -3.251 11.013 1.00 0.00 C ATOM 664 NE ARG A 42 7.854 -2.052 11.686 1.00 0.00 N ATOM 665 CZ ARG A 42 8.615 -1.058 12.156 1.00 0.00 C ATOM 666 NH1 ARG A 42 9.923 -1.048 11.925 1.00 0.00 N ATOM 667 NH2 ARG A 42 8.058 -0.065 12.840 1.00 0.00 N ATOM 0 H ARG A 42 7.072 -5.303 7.288 1.00 0.00 H new ATOM 0 HA ARG A 42 5.044 -3.543 8.547 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.041 -3.164 8.263 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.932 -2.079 9.078 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.372 -3.946 10.677 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.608 -4.921 9.908 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.713 -3.969 11.759 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.237 -2.984 10.407 1.00 0.00 H new ATOM 0 HE ARG A 42 6.844 -1.972 11.803 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.352 -1.801 11.387 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.499 -0.287 12.286 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.052 -0.062 13.006 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.637 0.694 13.199 1.00 0.00 H new ATOM 681 N LEU A 43 4.887 -1.991 6.581 1.00 0.00 N ATOM 682 CA LEU A 43 4.680 -1.206 5.372 1.00 0.00 C ATOM 683 C LEU A 43 4.835 0.294 5.691 1.00 0.00 C ATOM 684 O LEU A 43 4.068 0.850 6.483 1.00 0.00 O ATOM 685 CB LEU A 43 3.266 -1.506 4.828 1.00 0.00 C ATOM 686 CG LEU A 43 2.967 -1.082 3.385 1.00 0.00 C ATOM 687 CD1 LEU A 43 3.784 -1.917 2.406 1.00 0.00 C ATOM 688 CD2 LEU A 43 1.480 -1.237 3.093 1.00 0.00 C ATOM 0 H LEU A 43 4.208 -1.812 7.321 1.00 0.00 H new ATOM 0 HA LEU A 43 5.421 -1.470 4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.094 -2.579 4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.542 -1.018 5.481 1.00 0.00 H new ATOM 0 HG LEU A 43 3.244 -0.035 3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.561 -1.604 1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.846 -1.775 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.530 -2.970 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.277 -0.933 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.189 -2.279 3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.908 -0.610 3.776 1.00 0.00 H new ATOM 700 N ARG A 44 5.837 0.933 5.093 1.00 0.00 N ATOM 701 CA ARG A 44 6.100 2.358 5.331 1.00 0.00 C ATOM 702 C ARG A 44 5.897 3.191 4.058 1.00 0.00 C ATOM 703 O ARG A 44 6.388 2.833 2.981 1.00 0.00 O ATOM 704 CB ARG A 44 7.527 2.534 5.877 1.00 0.00 C ATOM 705 CG ARG A 44 7.922 3.974 6.171 1.00 0.00 C ATOM 706 CD ARG A 44 9.300 4.043 6.816 1.00 0.00 C ATOM 707 NE ARG A 44 9.746 5.423 7.008 1.00 0.00 N ATOM 708 CZ ARG A 44 9.969 6.003 8.189 1.00 0.00 C ATOM 709 NH1 ARG A 44 9.759 5.340 9.321 1.00 0.00 N ATOM 710 NH2 ARG A 44 10.400 7.253 8.232 1.00 0.00 N ATOM 0 H ARG A 44 6.483 0.491 4.439 1.00 0.00 H new ATOM 0 HA ARG A 44 5.385 2.721 6.069 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.626 1.950 6.792 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.231 2.118 5.156 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.920 4.551 5.246 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.184 4.429 6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.276 3.532 7.779 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.019 3.513 6.192 1.00 0.00 H new ATOM 0 HE ARG A 44 9.899 5.987 6.172 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.424 4.377 9.293 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.933 5.794 10.218 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.560 7.767 7.366 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.572 7.702 9.131 1.00 0.00 H new ATOM 724 N ILE A 45 5.159 4.301 4.186 1.00 0.00 N ATOM 725 CA ILE A 45 4.876 5.184 3.050 1.00 0.00 C ATOM 726 C ILE A 45 5.454 6.594 3.320 1.00 0.00 C ATOM 727 O ILE A 45 5.224 7.166 4.394 1.00 0.00 O ATOM 728 CB ILE A 45 3.339 5.331 2.834 1.00 0.00 C ATOM 729 CG1 ILE A 45 2.649 3.959 2.745 1.00 0.00 C ATOM 730 CG2 ILE A 45 3.065 6.127 1.560 1.00 0.00 C ATOM 731 CD1 ILE A 45 3.066 3.124 1.560 1.00 0.00 C ATOM 0 H ILE A 45 4.747 4.608 5.067 1.00 0.00 H new ATOM 0 HA ILE A 45 5.334 4.744 2.164 1.00 0.00 H new ATOM 0 HB ILE A 45 2.931 5.862 3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.858 3.401 3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.570 4.111 2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.989 6.225 1.417 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.511 7.118 1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.499 5.607 0.706 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.530 2.175 1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.831 3.657 0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.139 2.936 1.607 1.00 0.00 H new ATOM 743 N GLU A 46 6.183 7.153 2.348 1.00 0.00 N ATOM 744 CA GLU A 46 6.766 8.502 2.479 1.00 0.00 C ATOM 745 C GLU A 46 6.848 9.183 1.111 1.00 0.00 C ATOM 746 O GLU A 46 6.607 8.549 0.077 1.00 0.00 O ATOM 747 CB GLU A 46 8.178 8.482 3.113 1.00 0.00 C ATOM 748 CG GLU A 46 8.223 8.122 4.592 1.00 0.00 C ATOM 749 CD GLU A 46 9.616 8.253 5.178 1.00 0.00 C ATOM 750 OE1 GLU A 46 9.980 9.365 5.641 1.00 0.00 O ATOM 751 OE2 GLU A 46 10.352 7.251 5.195 1.00 0.00 O ATOM 0 H GLU A 46 6.386 6.695 1.459 1.00 0.00 H new ATOM 0 HA GLU A 46 6.105 9.060 3.142 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.795 7.770 2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.631 9.465 2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.539 8.769 5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.871 7.099 4.725 1.00 0.00 H new ATOM 758 N ASP A 47 7.171 10.477 1.118 1.00 0.00 N ATOM 759 CA ASP A 47 7.377 11.244 -0.114 1.00 0.00 C ATOM 760 C ASP A 47 8.737 10.868 -0.718 1.00 0.00 C ATOM 761 O ASP A 47 9.388 9.936 -0.247 1.00 0.00 O ATOM 762 CB ASP A 47 7.295 12.766 0.180 1.00 0.00 C ATOM 763 CG ASP A 47 7.485 13.643 -1.056 1.00 0.00 C ATOM 764 OD1 ASP A 47 6.666 13.560 -1.984 1.00 0.00 O ATOM 765 OD2 ASP A 47 8.486 14.397 -1.109 1.00 0.00 O ATOM 0 H ASP A 47 7.297 11.021 1.971 1.00 0.00 H new ATOM 0 HA ASP A 47 6.594 11.004 -0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.326 12.989 0.627 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.054 13.025 0.918 1.00 0.00 H new ATOM 770 N ARG A 48 9.185 11.591 -1.724 1.00 0.00 N ATOM 771 CA ARG A 48 10.400 11.253 -2.401 1.00 0.00 C ATOM 772 C ARG A 48 11.530 12.114 -1.858 1.00 0.00 C ATOM 773 O ARG A 48 12.668 11.664 -1.715 1.00 0.00 O ATOM 774 CB ARG A 48 10.236 11.447 -3.916 1.00 0.00 C ATOM 775 CG ARG A 48 9.045 10.685 -4.494 1.00 0.00 C ATOM 776 CD ARG A 48 7.765 11.517 -4.434 1.00 0.00 C ATOM 777 NE ARG A 48 7.613 12.368 -5.608 1.00 0.00 N ATOM 778 CZ ARG A 48 6.760 13.393 -5.709 1.00 0.00 C ATOM 779 NH1 ARG A 48 6.093 13.836 -4.642 1.00 0.00 N ATOM 780 NH2 ARG A 48 6.609 14.002 -6.877 1.00 0.00 N ATOM 0 H ARG A 48 8.715 12.421 -2.086 1.00 0.00 H new ATOM 0 HA ARG A 48 10.640 10.205 -2.225 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.118 12.509 -4.129 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.147 11.121 -4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.254 10.411 -5.528 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.903 9.756 -3.941 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.904 10.853 -4.353 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.776 12.135 -3.537 1.00 0.00 H new ATOM 0 HE ARG A 48 8.203 12.166 -6.415 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.230 13.392 -3.734 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.446 14.619 -4.734 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.141 13.688 -7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.961 14.785 -6.964 1.00 0.00 H new ATOM 794 N SER A 49 11.200 13.374 -1.563 1.00 0.00 N ATOM 795 CA SER A 49 12.155 14.324 -1.041 1.00 0.00 C ATOM 796 C SER A 49 12.256 14.233 0.489 1.00 0.00 C ATOM 797 O SER A 49 13.241 13.726 1.024 1.00 0.00 O ATOM 798 CB SER A 49 11.748 15.732 -1.467 1.00 0.00 C ATOM 799 OG SER A 49 11.580 15.808 -2.879 1.00 0.00 O ATOM 0 H SER A 49 10.261 13.753 -1.683 1.00 0.00 H new ATOM 0 HA SER A 49 13.139 14.089 -1.447 1.00 0.00 H new ATOM 0 HB2 SER A 49 10.819 16.012 -0.971 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.507 16.446 -1.148 1.00 0.00 H new ATOM 0 HG SER A 49 11.318 16.719 -3.129 1.00 0.00 H new ATOM 805 N GLY A 50 11.228 14.717 1.187 1.00 0.00 N ATOM 806 CA GLY A 50 11.256 14.684 2.639 1.00 0.00 C ATOM 807 C GLY A 50 9.917 14.989 3.280 1.00 0.00 C ATOM 808 O GLY A 50 9.720 16.070 3.837 1.00 0.00 O ATOM 0 H GLY A 50 10.388 15.126 0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.589 13.699 2.965 1.00 0.00 H new ATOM 0 HA3 GLY A 50 11.992 15.404 2.996 1.00 0.00 H new ATOM 812 N ASN A 51 8.996 14.050 3.188 1.00 0.00 N ATOM 813 CA ASN A 51 7.688 14.194 3.819 1.00 0.00 C ATOM 814 C ASN A 51 7.119 12.828 4.171 1.00 0.00 C ATOM 815 O ASN A 51 6.859 12.013 3.296 1.00 0.00 O ATOM 816 CB ASN A 51 6.711 14.975 2.919 1.00 0.00 C ATOM 817 CG ASN A 51 5.313 15.082 3.522 1.00 0.00 C ATOM 818 OD1 ASN A 51 4.446 14.253 3.262 1.00 0.00 O ATOM 819 ND2 ASN A 51 5.086 16.108 4.323 1.00 0.00 N ATOM 0 H ASN A 51 9.125 13.174 2.682 1.00 0.00 H new ATOM 0 HA ASN A 51 7.819 14.767 4.737 1.00 0.00 H new ATOM 0 HB2 ASN A 51 7.105 15.976 2.745 1.00 0.00 H new ATOM 0 HB3 ASN A 51 6.647 14.485 1.948 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.167 16.230 4.747 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.830 16.778 4.517 1.00 0.00 H new ATOM 826 N LEU A 52 6.968 12.572 5.453 1.00 0.00 N ATOM 827 CA LEU A 52 6.418 11.301 5.909 1.00 0.00 C ATOM 828 C LEU A 52 4.923 11.225 5.637 1.00 0.00 C ATOM 829 O LEU A 52 4.194 12.211 5.804 1.00 0.00 O ATOM 830 CB LEU A 52 6.705 11.041 7.403 1.00 0.00 C ATOM 831 CG LEU A 52 6.039 11.975 8.431 1.00 0.00 C ATOM 832 CD1 LEU A 52 6.210 11.415 9.832 1.00 0.00 C ATOM 833 CD2 LEU A 52 6.621 13.382 8.363 1.00 0.00 C ATOM 0 H LEU A 52 7.216 13.221 6.200 1.00 0.00 H new ATOM 0 HA LEU A 52 6.920 10.519 5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.400 10.019 7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.784 11.093 7.552 1.00 0.00 H new ATOM 0 HG LEU A 52 4.978 12.035 8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.736 12.083 10.551 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.745 10.431 9.890 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.272 11.329 10.062 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.129 14.015 9.101 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.690 13.344 8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.461 13.794 7.367 1.00 0.00 H new ATOM 845 N ILE A 53 4.463 10.056 5.216 1.00 0.00 N ATOM 846 CA ILE A 53 3.060 9.874 4.908 1.00 0.00 C ATOM 847 C ILE A 53 2.367 9.060 5.995 1.00 0.00 C ATOM 848 O ILE A 53 1.460 9.557 6.664 1.00 0.00 O ATOM 849 CB ILE A 53 2.842 9.201 3.527 1.00 0.00 C ATOM 850 CG1 ILE A 53 3.454 10.053 2.398 1.00 0.00 C ATOM 851 CG2 ILE A 53 1.354 8.967 3.273 1.00 0.00 C ATOM 852 CD1 ILE A 53 2.854 11.441 2.272 1.00 0.00 C ATOM 0 H ILE A 53 5.040 9.226 5.082 1.00 0.00 H new ATOM 0 HA ILE A 53 2.618 10.869 4.866 1.00 0.00 H new ATOM 0 HB ILE A 53 3.348 8.235 3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.526 10.147 2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.327 9.527 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.221 8.494 2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.950 8.318 4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.828 9.922 3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.340 11.975 1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.786 11.359 2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.004 11.988 3.203 1.00 0.00 H new ATOM 864 N ASP A 54 2.807 7.814 6.185 1.00 0.00 N ATOM 865 CA ASP A 54 2.208 6.943 7.199 1.00 0.00 C ATOM 866 C ASP A 54 3.118 5.745 7.489 1.00 0.00 C ATOM 867 O ASP A 54 4.040 5.455 6.718 1.00 0.00 O ATOM 868 CB ASP A 54 0.821 6.456 6.738 1.00 0.00 C ATOM 869 CG ASP A 54 -0.034 5.962 7.891 1.00 0.00 C ATOM 870 OD1 ASP A 54 -0.686 6.798 8.547 1.00 0.00 O ATOM 871 OD2 ASP A 54 -0.051 4.755 8.152 1.00 0.00 O ATOM 0 H ASP A 54 3.568 7.389 5.656 1.00 0.00 H new ATOM 0 HA ASP A 54 2.091 7.519 8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.304 7.270 6.229 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.944 5.653 6.011 1.00 0.00 H new ATOM 876 N THR A 55 2.844 5.052 8.589 1.00 0.00 N ATOM 877 CA THR A 55 3.624 3.891 9.006 1.00 0.00 C ATOM 878 C THR A 55 2.694 2.801 9.554 1.00 0.00 C ATOM 879 O THR A 55 1.862 3.071 10.427 1.00 0.00 O ATOM 880 CB THR A 55 4.664 4.269 10.095 1.00 0.00 C ATOM 881 OG1 THR A 55 4.031 5.019 11.146 1.00 0.00 O ATOM 882 CG2 THR A 55 5.810 5.085 9.507 1.00 0.00 C ATOM 0 H THR A 55 2.074 5.279 9.218 1.00 0.00 H new ATOM 0 HA THR A 55 4.157 3.519 8.131 1.00 0.00 H new ATOM 0 HB THR A 55 5.072 3.343 10.500 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.119 4.686 11.282 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.521 5.334 10.295 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.313 4.502 8.735 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.416 6.003 9.070 1.00 0.00 H new ATOM 890 N SER A 56 2.838 1.577 9.066 1.00 0.00 N ATOM 891 CA SER A 56 1.979 0.490 9.514 1.00 0.00 C ATOM 892 C SER A 56 2.769 -0.813 9.701 1.00 0.00 C ATOM 893 O SER A 56 3.633 -1.151 8.890 1.00 0.00 O ATOM 894 CB SER A 56 0.838 0.283 8.508 1.00 0.00 C ATOM 895 OG SER A 56 -0.097 -0.671 8.977 1.00 0.00 O ATOM 0 H SER A 56 3.533 1.313 8.368 1.00 0.00 H new ATOM 0 HA SER A 56 1.563 0.763 10.484 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.333 1.232 8.328 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.248 -0.046 7.553 1.00 0.00 H new ATOM 0 HG SER A 56 -0.213 -1.374 8.304 1.00 0.00 H new ATOM 901 N THR A 57 2.476 -1.525 10.782 1.00 0.00 N ATOM 902 CA THR A 57 3.108 -2.807 11.060 1.00 0.00 C ATOM 903 C THR A 57 2.041 -3.909 11.148 1.00 0.00 C ATOM 904 O THR A 57 1.093 -3.806 11.935 1.00 0.00 O ATOM 905 CB THR A 57 3.924 -2.743 12.375 1.00 0.00 C ATOM 906 OG1 THR A 57 4.968 -1.761 12.254 1.00 0.00 O ATOM 907 CG2 THR A 57 4.534 -4.099 12.719 1.00 0.00 C ATOM 0 H THR A 57 1.798 -1.232 11.486 1.00 0.00 H new ATOM 0 HA THR A 57 3.793 -3.040 10.245 1.00 0.00 H new ATOM 0 HB THR A 57 3.244 -2.462 13.179 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.035 -1.468 11.321 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.100 -4.019 13.647 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.739 -4.835 12.841 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.199 -4.413 11.915 1.00 0.00 H new ATOM 915 N PHE A 58 2.195 -4.958 10.336 1.00 0.00 N ATOM 916 CA PHE A 58 1.214 -6.035 10.285 1.00 0.00 C ATOM 917 C PHE A 58 1.739 -7.326 10.909 1.00 0.00 C ATOM 918 O PHE A 58 2.718 -7.913 10.431 1.00 0.00 O ATOM 919 CB PHE A 58 0.788 -6.303 8.837 1.00 0.00 C ATOM 920 CG PHE A 58 0.049 -5.165 8.191 1.00 0.00 C ATOM 921 CD1 PHE A 58 -1.312 -5.004 8.394 1.00 0.00 C ATOM 922 CD2 PHE A 58 0.714 -4.262 7.378 1.00 0.00 C ATOM 923 CE1 PHE A 58 -1.997 -3.962 7.797 1.00 0.00 C ATOM 924 CE2 PHE A 58 0.035 -3.219 6.778 1.00 0.00 C ATOM 925 CZ PHE A 58 -1.322 -3.069 6.988 1.00 0.00 C ATOM 0 H PHE A 58 2.989 -5.081 9.708 1.00 0.00 H new ATOM 0 HA PHE A 58 0.354 -5.707 10.868 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.675 -6.528 8.245 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.156 -7.191 8.814 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.844 -5.700 9.026 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.775 -4.374 7.211 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.058 -3.847 7.963 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.565 -2.522 6.146 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.855 -2.254 6.520 1.00 0.00 H new ATOM 935 N TYR A 59 1.090 -7.749 11.981 1.00 0.00 N ATOM 936 CA TYR A 59 1.403 -9.005 12.653 1.00 0.00 C ATOM 937 C TYR A 59 0.196 -9.433 13.487 1.00 0.00 C ATOM 938 O TYR A 59 -0.262 -8.671 14.343 1.00 0.00 O ATOM 939 CB TYR A 59 2.667 -8.860 13.547 1.00 0.00 C ATOM 940 CG TYR A 59 2.492 -7.955 14.761 1.00 0.00 C ATOM 941 CD1 TYR A 59 2.460 -6.575 14.626 1.00 0.00 C ATOM 942 CD2 TYR A 59 2.338 -8.491 16.035 1.00 0.00 C ATOM 943 CE1 TYR A 59 2.286 -5.755 15.724 1.00 0.00 C ATOM 944 CE2 TYR A 59 2.162 -7.678 17.136 1.00 0.00 C ATOM 945 CZ TYR A 59 2.136 -6.313 16.975 1.00 0.00 C ATOM 946 OH TYR A 59 1.956 -5.500 18.071 1.00 0.00 O ATOM 0 H TYR A 59 0.326 -7.230 12.414 1.00 0.00 H new ATOM 0 HA TYR A 59 1.620 -9.769 11.906 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.968 -9.850 13.890 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.483 -8.472 12.937 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.573 -6.134 13.646 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.356 -9.563 16.165 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.268 -4.682 15.603 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.045 -8.111 18.118 1.00 0.00 H new ATOM 0 HH TYR A 59 1.865 -6.051 18.876 1.00 0.00 H new ATOM 956 N HIS A 60 -0.340 -10.634 13.234 1.00 0.00 N ATOM 957 CA HIS A 60 -1.512 -11.105 13.991 1.00 0.00 C ATOM 958 C HIS A 60 -1.957 -12.505 13.552 1.00 0.00 C ATOM 959 O HIS A 60 -1.777 -13.474 14.268 1.00 0.00 O ATOM 960 CB HIS A 60 -2.684 -10.109 13.838 1.00 0.00 C ATOM 961 CG HIS A 60 -3.850 -10.364 14.752 1.00 0.00 C ATOM 962 ND1 HIS A 60 -3.819 -10.101 16.106 1.00 0.00 N ATOM 963 CD2 HIS A 60 -5.088 -10.845 14.496 1.00 0.00 C ATOM 964 CE1 HIS A 60 -4.980 -10.410 16.641 1.00 0.00 C ATOM 965 NE2 HIS A 60 -5.770 -10.862 15.685 1.00 0.00 N ATOM 0 H HIS A 60 0.007 -11.285 12.529 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.218 -11.165 15.039 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.312 -9.101 14.019 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.035 -10.138 12.807 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.468 -11.157 13.535 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.242 -10.311 17.684 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -6.733 -11.174 15.811 1.00 0.00 H new ATOM 973 N HIS A 61 -2.517 -12.589 12.360 1.00 0.00 N ATOM 974 CA HIS A 61 -3.098 -13.831 11.863 1.00 0.00 C ATOM 975 C HIS A 61 -2.436 -14.275 10.566 1.00 0.00 C ATOM 976 O HIS A 61 -1.702 -13.501 9.950 1.00 0.00 O ATOM 977 CB HIS A 61 -4.620 -13.726 11.708 1.00 0.00 C ATOM 978 CG HIS A 61 -5.335 -15.002 12.073 1.00 0.00 C ATOM 979 ND1 HIS A 61 -6.196 -15.665 11.224 1.00 0.00 N ATOM 980 CD2 HIS A 61 -5.315 -15.724 13.222 1.00 0.00 C ATOM 981 CE1 HIS A 61 -6.675 -16.734 11.832 1.00 0.00 C ATOM 982 NE2 HIS A 61 -6.155 -16.795 13.044 1.00 0.00 N ATOM 0 H HIS A 61 -2.584 -11.806 11.709 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.903 -14.599 12.611 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.989 -12.916 12.337 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.858 -13.464 10.677 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.745 -15.498 14.111 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.375 -17.440 11.409 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.346 -17.520 13.736 1.00 0.00 H new ATOM 990 N ASP A 62 -2.654 -15.552 10.213 1.00 0.00 N ATOM 991 CA ASP A 62 -2.069 -16.213 9.017 1.00 0.00 C ATOM 992 C ASP A 62 -2.094 -15.324 7.737 1.00 0.00 C ATOM 993 O ASP A 62 -2.740 -14.269 7.690 1.00 0.00 O ATOM 994 CB ASP A 62 -2.841 -17.536 8.762 1.00 0.00 C ATOM 995 CG ASP A 62 -2.359 -18.313 7.548 1.00 0.00 C ATOM 996 OD1 ASP A 62 -1.245 -18.860 7.592 1.00 0.00 O ATOM 997 OD2 ASP A 62 -3.096 -18.363 6.540 1.00 0.00 O ATOM 0 H ASP A 62 -3.253 -16.173 10.757 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.016 -16.402 9.227 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.754 -18.171 9.644 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.899 -17.308 8.637 1.00 0.00 H new ATOM 1002 N GLU A 63 -1.448 -15.828 6.691 1.00 0.00 N ATOM 1003 CA GLU A 63 -1.206 -15.083 5.462 1.00 0.00 C ATOM 1004 C GLU A 63 -2.508 -14.680 4.777 1.00 0.00 C ATOM 1005 O GLU A 63 -2.573 -13.634 4.125 1.00 0.00 O ATOM 1006 CB GLU A 63 -0.308 -15.887 4.514 1.00 0.00 C ATOM 1007 CG GLU A 63 -0.899 -17.211 4.056 1.00 0.00 C ATOM 1008 CD GLU A 63 0.063 -17.999 3.202 1.00 0.00 C ATOM 1009 OE1 GLU A 63 0.294 -17.606 2.046 1.00 0.00 O ATOM 1010 OE2 GLU A 63 0.607 -19.010 3.693 1.00 0.00 O ATOM 0 H GLU A 63 -1.074 -16.777 6.673 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.688 -14.162 5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.090 -15.278 3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.642 -16.081 5.011 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.178 -17.803 4.927 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.813 -17.023 3.492 1.00 0.00 H new ATOM 1017 N ASP A 64 -3.543 -15.506 4.944 1.00 0.00 N ATOM 1018 CA ASP A 64 -4.861 -15.225 4.366 1.00 0.00 C ATOM 1019 C ASP A 64 -5.371 -13.868 4.832 1.00 0.00 C ATOM 1020 O ASP A 64 -5.683 -12.993 4.027 1.00 0.00 O ATOM 1021 CB ASP A 64 -5.850 -16.316 4.811 1.00 0.00 C ATOM 1022 CG ASP A 64 -7.292 -16.009 4.439 1.00 0.00 C ATOM 1023 OD1 ASP A 64 -7.710 -16.368 3.318 1.00 0.00 O ATOM 1024 OD2 ASP A 64 -8.018 -15.422 5.275 1.00 0.00 O ATOM 0 H ASP A 64 -3.495 -16.376 5.475 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.774 -15.214 3.280 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.560 -17.265 4.360 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.780 -16.442 5.891 1.00 0.00 H new ATOM 1029 N VAL A 65 -5.428 -13.707 6.136 1.00 0.00 N ATOM 1030 CA VAL A 65 -5.880 -12.472 6.747 1.00 0.00 C ATOM 1031 C VAL A 65 -4.878 -11.337 6.536 1.00 0.00 C ATOM 1032 O VAL A 65 -5.266 -10.202 6.244 1.00 0.00 O ATOM 1033 CB VAL A 65 -6.151 -12.655 8.261 1.00 0.00 C ATOM 1034 CG1 VAL A 65 -6.589 -11.344 8.906 1.00 0.00 C ATOM 1035 CG2 VAL A 65 -7.193 -13.734 8.487 1.00 0.00 C ATOM 0 H VAL A 65 -5.162 -14.429 6.806 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.814 -12.204 6.254 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.219 -12.966 8.734 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.772 -11.504 9.969 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.805 -10.597 8.781 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.504 -10.992 8.430 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.371 -13.849 9.556 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.122 -13.452 7.993 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.835 -14.677 8.075 1.00 0.00 H new ATOM 1045 N LEU A 66 -3.595 -11.655 6.675 1.00 0.00 N ATOM 1046 CA LEU A 66 -2.542 -10.643 6.630 1.00 0.00 C ATOM 1047 C LEU A 66 -2.558 -9.865 5.296 1.00 0.00 C ATOM 1048 O LEU A 66 -2.685 -8.636 5.297 1.00 0.00 O ATOM 1049 CB LEU A 66 -1.172 -11.327 6.845 1.00 0.00 C ATOM 1050 CG LEU A 66 -0.030 -10.464 7.432 1.00 0.00 C ATOM 1051 CD1 LEU A 66 0.299 -9.276 6.547 1.00 0.00 C ATOM 1052 CD2 LEU A 66 -0.375 -10.005 8.844 1.00 0.00 C ATOM 0 H LEU A 66 -3.258 -12.607 6.820 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.720 -9.919 7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.322 -12.181 7.505 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.838 -11.721 5.885 1.00 0.00 H new ATOM 0 HG LEU A 66 0.861 -11.091 7.475 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.106 -8.699 6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.611 -9.630 5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.584 -8.645 6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.441 -9.400 9.239 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.289 -9.412 8.821 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.524 -10.875 9.483 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.441 -10.567 4.167 1.00 0.00 N ATOM 1065 CA PHE A 67 -2.486 -9.905 2.854 1.00 0.00 C ATOM 1066 C PHE A 67 -3.837 -9.256 2.562 1.00 0.00 C ATOM 1067 O PHE A 67 -3.892 -8.205 1.912 1.00 0.00 O ATOM 1068 CB PHE A 67 -2.079 -10.861 1.729 1.00 0.00 C ATOM 1069 CG PHE A 67 -0.630 -11.270 1.787 1.00 0.00 C ATOM 1070 CD1 PHE A 67 0.376 -10.363 1.465 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -0.272 -12.553 2.168 1.00 0.00 C ATOM 1072 CE1 PHE A 67 1.705 -10.735 1.521 1.00 0.00 C ATOM 1073 CE2 PHE A 67 1.057 -12.929 2.223 1.00 0.00 C ATOM 1074 CZ PHE A 67 2.046 -12.021 1.900 1.00 0.00 C ATOM 0 H PHE A 67 -2.316 -11.579 4.130 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.755 -9.098 2.895 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.703 -11.753 1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.276 -10.385 0.768 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.114 -9.358 1.168 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.040 -13.267 2.425 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.477 -10.023 1.269 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.322 -13.933 2.519 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.084 -12.314 1.943 1.00 0.00 H new ATOM 1084 N ASN A 68 -4.914 -9.872 3.036 1.00 0.00 N ATOM 1085 CA ASN A 68 -6.262 -9.324 2.835 1.00 0.00 C ATOM 1086 C ASN A 68 -6.343 -7.916 3.441 1.00 0.00 C ATOM 1087 O ASN A 68 -6.865 -6.983 2.825 1.00 0.00 O ATOM 1088 CB ASN A 68 -7.296 -10.256 3.501 1.00 0.00 C ATOM 1089 CG ASN A 68 -8.734 -9.776 3.369 1.00 0.00 C ATOM 1090 OD1 ASN A 68 -9.100 -9.116 2.400 1.00 0.00 O ATOM 1091 ND2 ASN A 68 -9.565 -10.130 4.337 1.00 0.00 N ATOM 0 H ASN A 68 -4.887 -10.747 3.560 1.00 0.00 H new ATOM 0 HA ASN A 68 -6.478 -9.258 1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.213 -11.249 3.059 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.052 -10.356 4.559 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.546 -9.854 4.293 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.224 -10.679 5.126 1.00 0.00 H new ATOM 1098 N MET A 69 -5.813 -7.783 4.642 1.00 0.00 N ATOM 1099 CA MET A 69 -5.730 -6.485 5.312 1.00 0.00 C ATOM 1100 C MET A 69 -4.844 -5.497 4.541 1.00 0.00 C ATOM 1101 O MET A 69 -5.170 -4.320 4.426 1.00 0.00 O ATOM 1102 CB MET A 69 -5.208 -6.626 6.748 1.00 0.00 C ATOM 1103 CG MET A 69 -6.082 -7.460 7.663 1.00 0.00 C ATOM 1104 SD MET A 69 -5.499 -7.447 9.374 1.00 0.00 S ATOM 1105 CE MET A 69 -3.904 -8.246 9.201 1.00 0.00 C ATOM 0 H MET A 69 -5.430 -8.559 5.182 1.00 0.00 H new ATOM 0 HA MET A 69 -6.745 -6.089 5.341 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.213 -7.069 6.716 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.100 -5.631 7.180 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.104 -7.083 7.628 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.108 -8.487 7.299 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.437 -8.343 10.181 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.038 -9.235 8.764 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.265 -7.646 8.553 1.00 0.00 H new ATOM 1115 N CYS A 70 -3.731 -5.988 4.004 1.00 0.00 N ATOM 1116 CA CYS A 70 -2.763 -5.132 3.312 1.00 0.00 C ATOM 1117 C CYS A 70 -3.317 -4.508 2.014 1.00 0.00 C ATOM 1118 O CYS A 70 -3.169 -3.303 1.791 1.00 0.00 O ATOM 1119 CB CYS A 70 -1.492 -5.923 3.007 1.00 0.00 C ATOM 1120 SG CYS A 70 -0.645 -6.545 4.477 1.00 0.00 S ATOM 0 H CYS A 70 -3.474 -6.975 4.033 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.541 -4.305 3.986 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.746 -6.765 2.363 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -0.806 -5.288 2.446 1.00 0.00 H new ATOM 0 HG CYS A 70 -1.404 -7.410 5.082 1.00 0.00 H new ATOM 1126 N THR A 71 -3.953 -5.315 1.167 1.00 0.00 N ATOM 1127 CA THR A 71 -4.463 -4.805 -0.109 1.00 0.00 C ATOM 1128 C THR A 71 -5.539 -3.717 0.094 1.00 0.00 C ATOM 1129 O THR A 71 -5.556 -2.707 -0.619 1.00 0.00 O ATOM 1130 CB THR A 71 -4.974 -5.937 -1.049 1.00 0.00 C ATOM 1131 OG1 THR A 71 -5.553 -5.373 -2.234 1.00 0.00 O ATOM 1132 CG2 THR A 71 -5.993 -6.829 -0.360 1.00 0.00 C ATOM 0 H THR A 71 -4.126 -6.306 1.334 1.00 0.00 H new ATOM 0 HA THR A 71 -3.613 -4.341 -0.609 1.00 0.00 H new ATOM 0 HB THR A 71 -4.114 -6.551 -1.315 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.869 -6.093 -2.818 1.00 0.00 H new ATOM 0 HG21 THR A 71 -6.323 -7.605 -1.051 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.538 -7.292 0.516 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.850 -6.231 -0.050 1.00 0.00 H new ATOM 1140 N ASP A 72 -6.410 -3.924 1.072 1.00 0.00 N ATOM 1141 CA ASP A 72 -7.459 -2.950 1.423 1.00 0.00 C ATOM 1142 C ASP A 72 -6.846 -1.677 2.002 1.00 0.00 C ATOM 1143 O ASP A 72 -7.405 -0.589 1.894 1.00 0.00 O ATOM 1144 CB ASP A 72 -8.471 -3.539 2.408 1.00 0.00 C ATOM 1145 CG ASP A 72 -9.567 -2.546 2.776 1.00 0.00 C ATOM 1146 OD1 ASP A 72 -10.428 -2.245 1.907 1.00 0.00 O ATOM 1147 OD2 ASP A 72 -9.577 -2.063 3.931 1.00 0.00 O ATOM 0 H ASP A 72 -6.418 -4.766 1.648 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.989 -2.701 0.503 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.923 -4.430 1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.952 -3.855 3.313 1.00 0.00 H new ATOM 1152 N TRP A 73 -5.658 -1.834 2.574 1.00 0.00 N ATOM 1153 CA TRP A 73 -5.043 -0.741 3.318 1.00 0.00 C ATOM 1154 C TRP A 73 -4.541 0.323 2.334 1.00 0.00 C ATOM 1155 O TRP A 73 -4.737 1.525 2.524 1.00 0.00 O ATOM 1156 CB TRP A 73 -3.912 -1.232 4.220 1.00 0.00 C ATOM 1157 CG TRP A 73 -3.445 -0.190 5.189 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -3.956 0.054 6.430 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -2.386 0.756 5.002 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -3.281 1.091 7.020 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -2.311 1.534 6.168 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -1.494 1.012 3.965 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -1.383 2.553 6.323 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -0.569 2.022 4.119 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -0.517 2.782 5.291 1.00 0.00 C ATOM 0 H TRP A 73 -5.109 -2.693 2.539 1.00 0.00 H new ATOM 0 HA TRP A 73 -5.796 -0.301 3.972 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -4.249 -2.109 4.772 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -3.072 -1.548 3.601 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -4.773 -0.490 6.881 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -3.473 1.471 7.947 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -1.526 0.430 3.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -1.346 3.144 7.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 0.128 2.230 3.320 1.00 0.00 H new ATOM 0 HH2 TRP A 73 0.221 3.565 5.383 1.00 0.00 H new ATOM 1176 N LEU A 74 -3.903 -0.158 1.267 1.00 0.00 N ATOM 1177 CA LEU A 74 -3.362 0.721 0.227 1.00 0.00 C ATOM 1178 C LEU A 74 -4.485 1.372 -0.570 1.00 0.00 C ATOM 1179 O LEU A 74 -4.483 2.578 -0.789 1.00 0.00 O ATOM 1180 CB LEU A 74 -2.413 -0.036 -0.716 1.00 0.00 C ATOM 1181 CG LEU A 74 -1.053 -0.439 -0.132 1.00 0.00 C ATOM 1182 CD1 LEU A 74 -0.305 -1.340 -1.107 1.00 0.00 C ATOM 1183 CD2 LEU A 74 -0.224 0.803 0.174 1.00 0.00 C ATOM 0 H LEU A 74 -3.747 -1.152 1.099 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.788 1.501 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.919 -0.939 -1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.238 0.584 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.220 -0.988 0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.658 -1.618 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.892 -2.239 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.146 -0.808 -2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.739 0.505 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.065 1.369 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.753 1.424 0.897 1.00 0.00 H new ATOM 1195 N ASN A 75 -5.464 0.559 -0.957 1.00 0.00 N ATOM 1196 CA ASN A 75 -6.619 1.041 -1.733 1.00 0.00 C ATOM 1197 C ASN A 75 -7.392 2.092 -0.962 1.00 0.00 C ATOM 1198 O ASN A 75 -8.012 2.981 -1.541 1.00 0.00 O ATOM 1199 CB ASN A 75 -7.547 -0.110 -2.137 1.00 0.00 C ATOM 1200 CG ASN A 75 -6.933 -1.012 -3.193 1.00 0.00 C ATOM 1201 OD1 ASN A 75 -6.053 -0.599 -3.949 1.00 0.00 O ATOM 1202 ND2 ASN A 75 -7.413 -2.238 -3.273 1.00 0.00 N ATOM 0 H ASN A 75 -5.487 -0.439 -0.749 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.228 1.495 -2.644 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.790 -0.703 -1.255 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.484 0.299 -2.514 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.055 -2.881 -3.979 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.142 -2.543 -2.628 1.00 0.00 H new ATOM 1209 N HIS A 76 -7.341 1.979 0.342 1.00 0.00 N ATOM 1210 CA HIS A 76 -7.998 2.901 1.247 1.00 0.00 C ATOM 1211 C HIS A 76 -7.549 4.369 1.040 1.00 0.00 C ATOM 1212 O HIS A 76 -8.375 5.269 1.046 1.00 0.00 O ATOM 1213 CB HIS A 76 -7.752 2.423 2.705 1.00 0.00 C ATOM 1214 CG HIS A 76 -7.624 3.506 3.743 1.00 0.00 C ATOM 1215 ND1 HIS A 76 -8.688 4.247 4.206 1.00 0.00 N ATOM 1216 CD2 HIS A 76 -6.526 3.967 4.402 1.00 0.00 C ATOM 1217 CE1 HIS A 76 -8.263 5.117 5.096 1.00 0.00 C ATOM 1218 NE2 HIS A 76 -6.954 4.969 5.235 1.00 0.00 N ATOM 0 H HIS A 76 -6.834 1.232 0.817 1.00 0.00 H new ATOM 0 HA HIS A 76 -9.067 2.896 1.033 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -8.572 1.766 2.994 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.842 1.823 2.721 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.512 3.612 4.290 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -8.877 5.831 5.624 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -6.360 5.513 5.861 1.00 0.00 H new ATOM 1226 N MET A 77 -6.254 4.593 0.865 1.00 0.00 N ATOM 1227 CA MET A 77 -5.720 5.965 0.766 1.00 0.00 C ATOM 1228 C MET A 77 -5.908 6.643 -0.612 1.00 0.00 C ATOM 1229 O MET A 77 -5.874 7.871 -0.699 1.00 0.00 O ATOM 1230 CB MET A 77 -4.250 6.033 1.216 1.00 0.00 C ATOM 1231 CG MET A 77 -3.288 5.173 0.412 1.00 0.00 C ATOM 1232 SD MET A 77 -1.582 5.364 0.953 1.00 0.00 S ATOM 1233 CE MET A 77 -1.707 4.805 2.651 1.00 0.00 C ATOM 0 H MET A 77 -5.551 3.858 0.788 1.00 0.00 H new ATOM 0 HA MET A 77 -6.333 6.546 1.456 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.918 7.070 1.162 1.00 0.00 H new ATOM 0 HB3 MET A 77 -4.193 5.734 2.262 1.00 0.00 H new ATOM 0 HG2 MET A 77 -3.579 4.126 0.501 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.364 5.437 -0.643 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.707 4.659 3.061 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.236 5.552 3.242 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.254 3.863 2.684 1.00 0.00 H new ATOM 1243 N TYR A 78 -6.107 5.860 -1.670 1.00 0.00 N ATOM 1244 CA TYR A 78 -6.175 6.419 -3.043 1.00 0.00 C ATOM 1245 C TYR A 78 -7.264 7.487 -3.235 1.00 0.00 C ATOM 1246 O TYR A 78 -6.990 8.554 -3.783 1.00 0.00 O ATOM 1247 CB TYR A 78 -6.390 5.319 -4.085 1.00 0.00 C ATOM 1248 CG TYR A 78 -5.165 4.500 -4.428 1.00 0.00 C ATOM 1249 CD1 TYR A 78 -4.782 3.429 -3.646 1.00 0.00 C ATOM 1250 CD2 TYR A 78 -4.411 4.785 -5.562 1.00 0.00 C ATOM 1251 CE1 TYR A 78 -3.683 2.661 -3.975 1.00 0.00 C ATOM 1252 CE2 TYR A 78 -3.313 4.031 -5.892 1.00 0.00 C ATOM 1253 CZ TYR A 78 -2.953 2.967 -5.098 1.00 0.00 C ATOM 1254 OH TYR A 78 -1.869 2.200 -5.435 1.00 0.00 O ATOM 0 H TYR A 78 -6.224 4.848 -1.618 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.208 6.901 -3.187 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.166 4.645 -3.722 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.767 5.777 -4.999 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.352 3.188 -2.761 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.695 5.614 -6.193 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.399 1.825 -3.353 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.734 4.272 -6.771 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.156 1.274 -5.581 1.00 0.00 H new ATOM 1264 N ASP A 79 -8.480 7.207 -2.781 1.00 0.00 N ATOM 1265 CA ASP A 79 -9.620 8.110 -3.036 1.00 0.00 C ATOM 1266 C ASP A 79 -9.405 9.498 -2.420 1.00 0.00 C ATOM 1267 O ASP A 79 -9.671 10.519 -3.060 1.00 0.00 O ATOM 1268 CB ASP A 79 -10.918 7.495 -2.512 1.00 0.00 C ATOM 1269 CG ASP A 79 -12.149 8.178 -3.077 1.00 0.00 C ATOM 1270 OD1 ASP A 79 -12.551 9.237 -2.552 1.00 0.00 O ATOM 1271 OD2 ASP A 79 -12.721 7.654 -4.052 1.00 0.00 O ATOM 0 H ASP A 79 -8.711 6.374 -2.239 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.695 8.238 -4.116 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.944 6.436 -2.767 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.936 7.562 -1.424 1.00 0.00 H new ATOM 1276 N GLN A 80 -8.932 9.518 -1.189 1.00 0.00 N ATOM 1277 CA GLN A 80 -8.655 10.774 -0.474 1.00 0.00 C ATOM 1278 C GLN A 80 -7.675 11.671 -1.237 1.00 0.00 C ATOM 1279 O GLN A 80 -7.810 12.894 -1.229 1.00 0.00 O ATOM 1280 CB GLN A 80 -8.133 10.512 0.946 1.00 0.00 C ATOM 1281 CG GLN A 80 -9.156 9.869 1.875 1.00 0.00 C ATOM 1282 CD GLN A 80 -9.277 8.379 1.668 1.00 0.00 C ATOM 1283 OE1 GLN A 80 -10.067 7.912 0.850 1.00 0.00 O ATOM 1284 NE2 GLN A 80 -8.502 7.624 2.410 1.00 0.00 N ATOM 0 H GLN A 80 -8.726 8.677 -0.649 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.606 11.301 -0.403 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.256 9.867 0.886 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.805 11.456 1.381 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.875 10.066 2.910 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.129 10.334 1.715 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -7.860 8.052 3.077 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.541 6.609 2.320 1.00 0.00 H new ATOM 1293 N LEU A 81 -6.704 11.066 -1.907 1.00 0.00 N ATOM 1294 CA LEU A 81 -5.702 11.835 -2.651 1.00 0.00 C ATOM 1295 C LEU A 81 -6.223 12.217 -4.041 1.00 0.00 C ATOM 1296 O LEU A 81 -5.588 12.967 -4.775 1.00 0.00 O ATOM 1297 CB LEU A 81 -4.399 11.042 -2.766 1.00 0.00 C ATOM 1298 CG LEU A 81 -3.737 10.667 -1.435 1.00 0.00 C ATOM 1299 CD1 LEU A 81 -2.481 9.844 -1.670 1.00 0.00 C ATOM 1300 CD2 LEU A 81 -3.413 11.916 -0.623 1.00 0.00 C ATOM 0 H LEU A 81 -6.584 10.054 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.503 12.755 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.599 10.127 -3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.690 11.625 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.442 10.061 -0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.028 9.589 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.740 8.929 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.773 10.422 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.944 11.627 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.731 12.551 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.332 12.464 -0.417 1.00 0.00 H new ATOM 1312 N LYS A 82 -7.392 11.703 -4.369 1.00 0.00 N ATOM 1313 CA LYS A 82 -8.023 11.995 -5.652 1.00 0.00 C ATOM 1314 C LYS A 82 -8.820 13.280 -5.596 1.00 0.00 C ATOM 1315 O LYS A 82 -9.216 13.828 -6.622 1.00 0.00 O ATOM 1316 CB LYS A 82 -8.864 10.838 -6.161 1.00 0.00 C ATOM 1317 CG LYS A 82 -8.034 9.703 -6.714 1.00 0.00 C ATOM 1318 CD LYS A 82 -8.903 8.566 -7.191 1.00 0.00 C ATOM 1319 CE LYS A 82 -8.073 7.493 -7.878 1.00 0.00 C ATOM 1320 NZ LYS A 82 -7.401 8.017 -9.097 1.00 0.00 N ATOM 0 H LYS A 82 -7.929 11.079 -3.767 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.218 12.135 -6.373 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.486 10.463 -5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.538 11.200 -6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.422 10.066 -7.540 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.350 9.342 -5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -9.436 8.132 -6.345 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.656 8.945 -7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.324 7.112 -7.184 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.714 6.654 -8.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.134 7.224 -9.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.050 8.649 -9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.548 8.545 -8.823 1.00 0.00 H new ATOM 1334 N ASP A 83 -9.050 13.758 -4.387 1.00 0.00 N ATOM 1335 CA ASP A 83 -9.760 15.017 -4.177 1.00 0.00 C ATOM 1336 C ASP A 83 -8.831 16.208 -4.343 1.00 0.00 C ATOM 1337 O ASP A 83 -9.246 17.358 -4.192 1.00 0.00 O ATOM 1338 CB ASP A 83 -10.450 15.056 -2.807 1.00 0.00 C ATOM 1339 CG ASP A 83 -11.848 14.479 -2.855 1.00 0.00 C ATOM 1340 OD1 ASP A 83 -12.766 15.178 -3.334 1.00 0.00 O ATOM 1341 OD2 ASP A 83 -12.047 13.332 -2.415 1.00 0.00 O ATOM 0 H ASP A 83 -8.756 13.294 -3.528 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.534 15.080 -4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.853 14.498 -2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.496 16.086 -2.454 1.00 0.00 H new ATOM 1346 N TRP A 84 -7.579 15.933 -4.661 1.00 0.00 N ATOM 1347 CA TRP A 84 -6.594 16.971 -4.872 1.00 0.00 C ATOM 1348 C TRP A 84 -5.981 16.773 -6.248 1.00 0.00 C ATOM 1349 O TRP A 84 -4.927 16.148 -6.383 1.00 0.00 O ATOM 1350 CB TRP A 84 -5.510 16.923 -3.787 1.00 0.00 C ATOM 1351 CG TRP A 84 -6.042 17.142 -2.396 1.00 0.00 C ATOM 1352 CD1 TRP A 84 -6.358 16.181 -1.477 1.00 0.00 C ATOM 1353 CD2 TRP A 84 -6.320 18.401 -1.767 1.00 0.00 C ATOM 1354 NE1 TRP A 84 -6.819 16.764 -0.322 1.00 0.00 N ATOM 1355 CE2 TRP A 84 -6.806 18.123 -0.473 1.00 0.00 C ATOM 1356 CE3 TRP A 84 -6.209 19.732 -2.174 1.00 0.00 C ATOM 1357 CZ2 TRP A 84 -7.175 19.129 0.417 1.00 0.00 C ATOM 1358 CZ3 TRP A 84 -6.576 20.729 -1.290 1.00 0.00 C ATOM 1359 CH2 TRP A 84 -7.054 20.424 -0.009 1.00 0.00 C ATOM 0 H TRP A 84 -7.220 14.986 -4.779 1.00 0.00 H new ATOM 0 HA TRP A 84 -7.071 17.949 -4.813 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -5.009 15.956 -3.828 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -4.757 17.681 -4.003 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -6.259 15.117 -1.636 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -7.122 16.264 0.514 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -5.844 19.978 -3.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -7.543 18.896 1.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -6.493 21.762 -1.592 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -7.333 21.228 0.656 1.00 0.00 H new ATOM 1370 N LYS A 85 -6.664 17.311 -7.259 1.00 0.00 N ATOM 1371 CA LYS A 85 -6.298 17.128 -8.678 1.00 0.00 C ATOM 1372 C LYS A 85 -5.742 15.735 -8.971 1.00 0.00 C ATOM 1373 O LYS A 85 -6.559 14.831 -9.304 1.00 0.00 O ATOM 1374 CB LYS A 85 -5.331 18.210 -9.166 1.00 0.00 C ATOM 1375 CG LYS A 85 -5.952 19.592 -9.232 1.00 0.00 C ATOM 1376 CD LYS A 85 -4.999 20.604 -9.837 1.00 0.00 C ATOM 1377 CE LYS A 85 -5.655 21.968 -9.949 1.00 0.00 C ATOM 1378 NZ LYS A 85 -4.794 22.945 -10.650 1.00 0.00 N ATOM 0 H LYS A 85 -7.492 17.890 -7.124 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.228 17.229 -9.238 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.467 18.240 -8.502 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.963 17.938 -10.155 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.866 19.553 -9.824 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.235 19.912 -8.229 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.102 20.677 -9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.682 20.266 -10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.601 21.872 -10.482 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.887 22.341 -8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.282 23.862 -10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.901 23.058 -10.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.593 22.603 -11.611 1.00 0.00 H new TER 1392 LYS A 85